data_2lbg_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 2lbg _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 ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 73.13 110.852 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.072 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.64 33.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 65.32 112.48 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.74 81.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 74.11 111.096 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.99 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.084 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.96 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 70.21 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.0 76.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.02 111.111 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.95 -36.06 57.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 74.41 112.498 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 70.35 111.106 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.3 m -65.51 -54.3 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.05 111.105 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.57 -40.09 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.41 111.129 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 65.45 112.487 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.36 21.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 71.43 112.497 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.34 69.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 75.31 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.88 -40.45 84.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 74.23 112.508 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.88 78.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 74.31 112.456 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 72.52 110.948 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.28 -60.69 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -25.78 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.31 8.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 62.24 112.457 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.74 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 65.44 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.49 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.147 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.89 42.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -73.01 -32.39 65.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.866 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.838 0.351 . . . . 74.55 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . 0.448 ' HE1' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.23 -28.18 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.855 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.448 ' HB2' ' HE1' ' A' ' 3' ' ' MET . . . -70.87 -39.74 72.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.05 30.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 63.25 112.459 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.78 -36.71 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 72.44 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.09 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.173 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.9 -47.07 76.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.074 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.05 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.122 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.16 56.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 75.24 112.454 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 74.34 111.13 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 16' ' ' LEU . 7.2 m -65.53 -54.25 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 73.53 111.126 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD22 ' A' ' 16' ' ' LEU . 58.2 t -61.39 -40.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.165 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.37 -32.31 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 73.34 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.38 21.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 73.33 112.496 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.35 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 72.23 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.34 84.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 72.15 112.489 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.95 78.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.45 112.48 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -59.92 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 70.35 110.96 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.3 -60.71 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.82 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -53.35 8.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.718 . . . . 74.23 112.489 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -28.78 61.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 74.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.46 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.106 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -26.77 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.876 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -73.05 -32.31 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.872 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.35 110.842 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.851 0.358 . . . . 74.43 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.932 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.2 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.131 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.68 33.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 43.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.64 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.337 . . . . 70.51 111.088 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.98 71.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.088 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.91 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.14 111.106 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.06 76.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.15 111.076 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.02 57.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.527 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.25 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 64.2 111.077 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.3 m -65.47 -54.32 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.43 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' HA ' HD21 ' A' ' 16' ' ' LEU . 61.8 t -61.58 -40.06 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.54 111.158 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 74.02 112.537 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.47 20.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 73.54 112.493 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.32 69.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 75.21 110.944 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.35 84.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 54.32 112.483 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.85 77.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.442 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.16 -59.9 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 73.54 110.91 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.9 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -25.79 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.4 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.34 112.477 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.8 61.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 61.05 110.858 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.106 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.39 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.846 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 75.14 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -31.82 73.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.828 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.13 70.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 74.4 111.141 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.69 32.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 71.24 112.502 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 75.31 111.09 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.98 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.01 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 75.1 111.094 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.02 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.116 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.98 -36.02 57.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.777 . . . . 72.42 112.523 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 63.04 111.14 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.3 m -65.5 -54.26 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 54.11 111.156 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.9 t -61.56 -40.05 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 62.15 111.179 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.711 -0.757 . . . . 72.42 112.507 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.39 21.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.34 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 73.43 110.945 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.38 84.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.512 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 55.44 112.488 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.04 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 73.42 110.959 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.7 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -25.82 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 71.05 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -53.35 8.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 72.53 112.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.44 -28.74 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.378 . . . . 73.51 110.859 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.44 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.31 111.068 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtm -79.14 -26.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.36 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.876 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 75.2 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -31.76 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.14 110.853 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.12 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 71.25 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.38 -46.59 32.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.474 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 72.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -41.0 71.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.056 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.97 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 71.4 111.115 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.143 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.93 -36.08 57.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.34 112.512 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.19 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 75.21 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.4 m -65.46 -54.32 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.107 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' HA ' HD21 ' A' ' 16' ' ' LEU . 61.8 t -61.52 -40.05 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.168 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 70.13 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.34 21.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 72.24 112.54 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.3 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 73.43 110.891 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.34 84.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 55.13 112.464 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.85 77.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 63.4 112.515 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 73.3 110.913 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.76 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.35 110.86 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -25.85 67.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.931 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.4 8.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 75.35 112.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.77 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 72.21 110.832 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.55 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.34 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtt -79.09 -26.81 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -73.07 -32.32 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 75.21 110.846 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.806 0.336 . . . . 64.41 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -31.74 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.9 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.74 -38.09 70.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.11 111.114 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.69 32.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.22 112.477 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.62 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 74.33 111.092 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.98 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 75.15 111.13 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.02 75.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.066 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.03 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.098 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.14 57.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 73.41 112.504 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.19 72.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 74.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.2 m -65.54 -54.28 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.54 111.108 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.56 -40.13 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 70.03 111.107 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.15 83.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 73.31 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.35 21.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.524 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.32 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 72.43 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.4 84.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 61.11 112.476 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.91 78.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 72.4 110.945 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.76 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -25.82 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 70.51 110.923 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.51 8.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 35.51 112.488 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -28.74 61.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.44 110.835 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.28 87.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.124 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -27.14 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.873 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.1 p -73.03 -32.29 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.838 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.0 t60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.78 0.324 . . . . 74.24 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.854 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.19 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.63 33.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.69 81.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 64.42 111.061 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.05 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.127 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.01 -46.94 76.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.02 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.093 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -36.09 57.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 43.43 112.479 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.25 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 63.22 111.083 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.2 m -65.5 -54.34 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.54 111.096 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.9 t -61.54 -40.06 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 72.1 111.161 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.33 -32.21 83.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 74.3 112.516 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.44 20.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.456 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 75.42 110.91 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.4 84.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.505 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.9 77.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 72.44 112.421 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -60.01 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 73.32 110.918 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.13 -60.83 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 64.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -25.78 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.67 -53.37 8.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 75.45 112.442 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.76 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 75.51 110.88 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.33 111.119 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -73.02 -32.37 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.44 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.879 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.6 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 74.33 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -31.93 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 62.41 110.826 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.65 -38.1 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 65.05 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.66 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 72.34 112.468 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.64 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 75.25 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.08 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.089 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.94 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.3 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.11 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 73.32 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.08 57.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 71.12 112.435 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 73.41 111.088 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.4 m -65.51 -54.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.163 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.61 -40.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.131 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.25 83.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 63.33 112.481 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.46 20.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 72.2 112.488 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.49 -41.37 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.13 110.943 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.41 84.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 63.03 112.481 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.91 78.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.481 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -60.01 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 72.34 110.937 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.18 -60.72 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 72.35 110.903 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -25.73 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.906 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.39 8.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 62.35 112.507 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.72 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 34.41 110.906 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.48 86.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 73.55 111.093 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -26.88 42.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -73.01 -32.34 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 73.5 110.858 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.798 0.332 . . . . 75.13 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -31.78 72.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.885 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.09 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 73.14 111.156 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.31 -46.69 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.64 81.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 74.31 111.107 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.98 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 44.21 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.91 76.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.22 111.068 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.04 57.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 53.31 112.528 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 74.43 111.077 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 16' ' ' LEU . 9.1 m -65.54 -54.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 64.01 111.134 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 16' ' ' LEU . 61.9 t -61.62 -40.02 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.132 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.23 83.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 70.43 112.46 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.48 -50.38 21.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.504 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.32 69.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 71.25 110.935 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.92 -40.42 84.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 73.34 112.474 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.87 77.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.22 112.479 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.91 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 73.0 110.941 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.29 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -25.81 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.35 8.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.33 112.5 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.77 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 73.22 110.816 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.079 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtm -79.15 -26.87 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 65.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -32.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.903 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.901 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.843 0.354 . . . . 72.03 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.83 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.2 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.039 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.69 33.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 51.54 112.514 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.71 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 75.41 111.106 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.07 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.052 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.01 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.14 111.119 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.123 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.1 57.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 51.22 112.477 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.19 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 73.04 111.108 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.2 m -65.54 -54.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.1 111.137 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.0 t -61.6 -40.09 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 70.15 111.116 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 61.2 112.49 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 65.41 112.482 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.3 69.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 75.44 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.4 84.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 72.35 112.475 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.88 77.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 75.2 112.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.01 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.931 0.396 . . . . 75.52 110.99 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.77 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 72.31 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -25.8 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.931 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.38 8.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 51.15 112.503 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -28.78 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.34 110.848 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.51 86.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 54.5 111.128 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.84 42.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.891 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -73.06 -32.32 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.5 110.838 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.876 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.793 0.33 . . . . 75.21 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -31.86 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.53 110.861 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.15 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 51.43 111.105 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.72 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 73.34 112.446 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 64.35 111.105 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.04 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.45 111.111 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.09 -46.89 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.105 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.03 76.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.0 -35.97 57.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 74.3 112.502 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.21 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 65.13 111.128 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 9.2 m -65.52 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.1 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' HD22 ' A' ' 16' ' ' LEU . 61.6 t -61.59 -40.06 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 72.44 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.45 112.506 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.46 20.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.8 -0.714 . . . . 72.24 112.457 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.58 -41.32 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 75.11 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.01 -40.33 84.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.481 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.89 78.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 52.22 112.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.12 -59.9 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 65.43 110.915 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.24 -60.72 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.82 -25.79 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.42 8.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.24 112.464 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.79 61.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 70.11 110.851 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.49 86.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 74.31 111.074 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 74.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 t -73.0 -32.36 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.33 110.859 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.855 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.782 0.325 . . . . 71.5 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -31.84 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.848 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.1 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.109 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.68 32.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 62.42 112.514 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.81 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 64.54 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.04 72.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.94 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 72.11 111.119 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.07 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.089 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.06 57.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 70.22 112.456 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 75.52 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 9.3 m -65.46 -54.3 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.16 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' HD22 ' A' ' 16' ' ' LEU . 61.9 t -61.55 -40.13 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.069 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.27 83.62 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 52.41 112.511 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.37 21.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 74.5 112.477 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.35 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 75.31 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.35 84.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 74.33 112.456 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.86 77.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 73.15 112.514 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.97 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 71.33 110.905 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.16 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 70.3 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.76 -25.84 67.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.936 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.4 8.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 44.55 112.494 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.78 61.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 72.24 110.862 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 74.22 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.3 mtt -79.09 -26.81 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.06 -32.31 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.838 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.884 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.329 . . . . 74.43 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -31.79 72.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.14 70.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.64 32.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 73.31 112.469 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 52.54 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.01 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.11 75.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.32 111.082 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -69.1 -37.01 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.31 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.17 -36.11 56.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 73.11 112.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 71.35 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 16' ' ' LEU . 7.1 m -65.56 -54.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.091 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' HA ' HD22 ' A' ' 16' ' ' LEU . 58.5 t -61.38 -40.1 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.24 83.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.517 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.38 20.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 74.1 112.48 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.37 69.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 75.33 110.944 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.35 84.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 73.35 112.494 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.94 78.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 54.14 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.96 2.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 73.25 110.926 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.23 -60.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 63.01 110.915 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -25.76 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.36 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 60.15 112.504 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.78 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.21 110.839 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.02 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.83 42.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.31 110.822 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.331 . . . . 74.52 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 72.05 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.14 70.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.14 111.115 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.64 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 60.31 112.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.7 81.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 63.44 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.02 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 54.42 111.107 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.04 75.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.099 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -69.18 -37.01 77.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.19 -36.18 56.38 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 62.15 112.457 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.5 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 71.22 111.083 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 9' ' ' ALA . 7.4 m -65.48 -54.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.137 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' HD23 ' A' ' 16' ' ' LEU . 58.4 t -61.4 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.099 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.26 83.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.512 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.42 20.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 72.31 112.44 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.54 -41.34 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.05 110.907 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.4 84.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 54.41 112.523 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.92 78.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 75.13 112.497 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.07 -59.94 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.23 110.926 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.26 -60.78 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.45 110.85 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.87 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.917 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.37 8.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 73.35 112.486 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -28.76 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 64.33 110.857 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.53 87.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.52 111.108 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -26.81 42.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.849 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -73.08 -32.34 64.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 60.32 110.819 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.882 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.76 0.314 . . . . 74.45 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -31.85 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 54.22 111.077 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.27 -46.68 33.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 71.13 112.478 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 65.34 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.01 71.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.96 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 75.2 111.104 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.07 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.045 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.1 57.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 72.54 112.472 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 71.15 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.3 m -65.49 -54.27 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.174 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.0 t -61.56 -40.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 73.22 111.149 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 74.44 112.503 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.41 -50.49 20.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.812 -0.708 . . . . 63.33 112.486 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.5 -41.37 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 74.42 110.917 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.41 84.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.479 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.9 78.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 64.12 112.512 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.0 -59.95 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 64.22 110.964 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.77 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 72.13 110.862 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.36 8.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 74.52 112.542 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.77 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 64.11 110.893 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.51 86.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 55.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.22 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -72.99 -32.38 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.848 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.848 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.79 0.329 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.85 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.0 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.61 -46.9 36.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 64.25 112.533 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.54 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 65.43 111.085 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.98 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.02 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.1 57.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.504 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.24 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 61.32 111.064 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.2 m -65.53 -54.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.153 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.0 t -61.65 -40.06 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.33 111.109 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.2 83.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 71.35 112.504 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.45 20.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.466 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 74.43 110.948 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.36 84.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 74.43 112.484 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.39 -31.9 78.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 70.12 112.502 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 72.45 110.934 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.21 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.928 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -25.85 67.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -53.32 8.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.31 112.518 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -28.75 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.41 110.859 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.47 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 70.32 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -26.89 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.861 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -72.96 -32.36 65.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.851 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.24 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.747 0.308 . . . . 65.32 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.91 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.2 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.076 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.67 33.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 74.12 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 62.44 111.112 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.02 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 54.42 111.088 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.03 75.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 60.04 111.095 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.08 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.11 57.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 32.51 112.483 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -43.23 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 41.31 111.136 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.0 m -65.54 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.1 111.09 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HA ' HD21 ' A' ' 16' ' ' LEU . 61.6 t -61.57 -40.1 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.469 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.39 21.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 53.44 112.499 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.4 69.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.24 110.926 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.37 84.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 73.22 112.512 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.81 77.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 74.32 112.472 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.16 -59.86 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 75.31 110.94 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.82 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.34 110.83 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -25.47 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.95 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.76 -53.37 8.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 53.13 112.546 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -29.1 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 73.34 110.827 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.26 86.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.3 ttp -79.21 -26.83 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.16 -32.37 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 62.21 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.21 110.868 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.797 0.332 . . . . 73.44 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.79 72.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.17 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.34 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.67 32.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 53.13 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.78 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 72.42 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.08 71.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.13 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.95 76.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 71.35 111.121 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.1 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 75.43 111.082 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.09 57.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 71.02 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 64.24 111.055 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.3 m -65.48 -54.33 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.2 111.115 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.433 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.8 t -61.52 -40.06 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.095 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 63.44 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.38 21.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.502 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.0 OUTLIER -71.53 -41.38 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 74.1 110.932 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.28 84.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.467 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.01 78.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -59.99 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 72.1 110.966 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 75.25 110.899 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -25.32 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.81 -53.4 8.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 64.31 112.508 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.39 61.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 74.21 110.802 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.32 86.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 65.12 111.098 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -79.14 -27.15 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -73.01 -32.36 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.877 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.41 110.863 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 m170 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 73.11 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.8 85.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.99 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 75.33 111.057 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -46.98 36.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 61.44 112.44 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.57 81.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 75.13 111.107 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.0 72.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 71.52 111.064 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.11 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 54.33 111.091 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -69.16 -37.0 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -36.21 56.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 64.42 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.47 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 74.13 111.105 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' HD21 ' A' ' 16' ' ' LEU . 7.2 m -65.5 -54.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.33 111.117 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' HA ' HD23 ' A' ' 16' ' ' LEU . 58.0 t -61.37 -40.04 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.32 111.105 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.33 83.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 72.23 112.455 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.38 21.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 74.44 112.475 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 73.44 110.931 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.84 -40.42 84.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.508 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.92 78.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.452 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -60.0 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 75.03 110.906 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.83 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 74.34 110.911 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.05 -25.41 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.71 -53.48 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 61.03 112.511 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.17 61.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 74.52 110.863 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.29 86.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 62.22 111.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ttm -79.17 -26.82 42.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.08 -32.48 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 73.33 110.842 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 72.2 110.891 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 74.45 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -31.66 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 52.54 111.132 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.7 32.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.441 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.747 0.308 . . . . 72.01 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.02 71.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.128 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.01 -46.95 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.093 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.08 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 61.42 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.07 57.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 74.02 112.487 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.18 72.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 73.3 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.0 m -65.56 -54.27 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.13 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.61 -40.04 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 61.42 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 73.21 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 73.03 112.467 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.29 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 63.44 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.98 -40.41 84.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 70.04 112.477 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 74.41 112.464 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.41 110.946 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.63 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -26.13 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 65.44 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.42 -53.51 8.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 70.2 112.509 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -30.24 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 64.02 110.823 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.44 92.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 60.32 111.15 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -24.96 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.836 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -71.68 -28.32 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.05 110.804 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.823 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.801 0.334 . . . . 71.33 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.96 0.59 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.852 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.072 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.64 33.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 65.32 112.48 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.74 81.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 74.11 111.096 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.99 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.084 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.96 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 70.21 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.0 76.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.02 111.111 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.95 -36.06 57.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 74.41 112.498 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 70.35 111.106 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.3 m -65.51 -54.3 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.05 111.105 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.57 -40.09 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.41 111.129 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 65.45 112.487 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.36 21.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 71.43 112.497 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.34 69.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 75.31 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.88 -40.45 84.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 74.23 112.508 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.88 78.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 74.31 112.456 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 72.52 110.948 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.28 -60.69 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -25.78 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.31 8.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 62.24 112.457 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.74 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 65.44 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.49 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.147 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.89 42.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -73.01 -32.39 65.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.866 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 72.35 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.9 0.46 13.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.448 ' HE1' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.23 -28.18 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.855 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' HB2' ' HE1' ' A' ' 3' ' ' MET . . . -70.87 -39.74 72.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.05 30.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 63.25 112.459 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.78 -36.71 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 72.44 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.09 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.173 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.9 -47.07 76.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.074 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.05 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.122 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.16 56.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 75.24 112.454 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 74.34 111.13 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 16' ' ' LEU . 7.2 m -65.53 -54.25 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 73.53 111.126 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD22 ' A' ' 16' ' ' LEU . 58.2 t -61.39 -40.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.165 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.37 -32.31 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 73.34 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.38 21.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 73.33 112.496 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.35 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 72.23 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.34 84.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 72.15 112.489 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.95 78.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.45 112.48 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -59.92 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 70.35 110.96 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.556 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.3 -60.71 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.82 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -53.35 8.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.718 . . . . 74.23 112.489 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -28.78 61.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 74.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.46 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.106 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -26.77 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.876 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -73.05 -32.31 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.872 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.35 110.842 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.809 0.338 . . . . 74.01 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -74.0 0.68 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.932 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.2 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.131 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.68 33.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 43.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.64 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.337 . . . . 70.51 111.088 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.98 71.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.088 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.91 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.14 111.106 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.06 76.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.15 111.076 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.02 57.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.527 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.25 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 64.2 111.077 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.3 m -65.47 -54.32 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.43 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' HA ' HD21 ' A' ' 16' ' ' LEU . 61.8 t -61.58 -40.06 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.54 111.158 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 74.02 112.537 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.47 20.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 73.54 112.493 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.32 69.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 75.21 110.944 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.35 84.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 54.32 112.483 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.85 77.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.442 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.16 -59.9 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 73.54 110.91 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.9 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -25.79 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.4 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 64.34 112.477 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.8 61.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 61.05 110.858 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.106 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.39 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.846 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.854 0.359 . . . . 73.54 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -73.97 0.64 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.867 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -31.82 73.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.828 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.13 70.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 74.4 111.141 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.69 32.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 71.24 112.502 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 75.31 111.09 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.98 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.01 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 75.1 111.094 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.02 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.116 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.98 -36.02 57.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.777 . . . . 72.42 112.523 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 63.04 111.14 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.3 m -65.5 -54.26 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 54.11 111.156 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.9 t -61.56 -40.05 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 62.15 111.179 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.711 -0.757 . . . . 72.42 112.507 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.39 21.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.34 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 73.43 110.945 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.38 84.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.512 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 55.44 112.488 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.04 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 73.42 110.959 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.7 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -25.82 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 71.05 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -53.35 8.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 72.53 112.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.44 -28.74 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.378 . . . . 73.51 110.859 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.44 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.31 111.068 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtm -79.14 -26.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.36 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.876 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.2 tttp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.852 0.358 . . . . 74.43 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -73.91 0.59 12.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 75.2 110.88 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -31.76 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.14 110.853 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.12 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 71.25 111.104 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.38 -46.59 32.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.474 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 72.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -41.0 71.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.056 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.97 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 71.4 111.115 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.143 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.93 -36.08 57.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.34 112.512 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.19 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 75.21 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.4 m -65.46 -54.32 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.107 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' HA ' HD21 ' A' ' 16' ' ' LEU . 61.8 t -61.52 -40.05 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.168 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 70.13 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.34 21.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 72.24 112.54 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.3 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 73.43 110.891 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.34 84.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 55.13 112.464 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.85 77.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 63.4 112.515 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 73.3 110.913 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.76 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.35 110.86 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -25.85 67.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.931 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.4 8.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 75.35 112.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.77 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 72.21 110.832 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.55 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.34 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtt -79.09 -26.81 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -73.07 -32.32 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 75.21 110.846 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 tttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 75.13 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -73.98 0.63 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 64.41 110.867 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -31.74 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.9 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.74 -38.09 70.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.11 111.114 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.69 32.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.22 112.477 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.62 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 74.33 111.092 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.98 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 75.15 111.13 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.02 75.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.066 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.03 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.098 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.14 57.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 73.41 112.504 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.19 72.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 74.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.2 m -65.54 -54.28 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.54 111.108 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.56 -40.13 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 70.03 111.107 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.15 83.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 73.31 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.35 21.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.524 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.32 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 72.43 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.4 84.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 61.11 112.476 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.91 78.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 72.4 110.945 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.76 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -25.82 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 70.51 110.923 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.51 8.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 35.51 112.488 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -28.74 61.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.44 110.835 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.28 87.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.124 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -27.14 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.873 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.1 p -73.03 -32.29 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.838 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.772 0.32 . . . . 75.13 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -74.07 0.67 13.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.827 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.854 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.19 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.63 33.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.69 81.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 64.42 111.061 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.05 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.14 111.127 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.01 -46.94 76.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.02 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.093 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -36.09 57.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 43.43 112.479 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.25 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 63.22 111.083 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.2 m -65.5 -54.34 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.54 111.096 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.9 t -61.54 -40.06 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 72.1 111.161 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.33 -32.21 83.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 74.3 112.516 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.44 20.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.456 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 75.42 110.91 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.4 84.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 74.34 112.505 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.9 77.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 72.44 112.421 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -60.01 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 73.32 110.918 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.13 -60.83 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 64.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -25.78 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.67 -53.37 8.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 75.45 112.442 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.76 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 75.51 110.88 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.33 111.119 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -73.02 -32.37 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.44 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.879 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.8 0.334 . . . . 74.54 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -74.04 0.65 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.85 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -31.93 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 62.41 110.826 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.65 -38.1 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 65.05 111.114 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.66 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 72.34 112.468 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.64 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 75.25 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.08 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.089 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.94 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.3 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.11 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 73.32 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.08 57.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 71.12 112.435 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 73.41 111.088 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.4 m -65.51 -54.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.163 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.61 -40.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.131 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.25 83.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 63.33 112.481 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.46 20.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 72.2 112.488 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.49 -41.37 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.13 110.943 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.41 84.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 63.03 112.481 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.91 78.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.481 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -60.01 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 72.34 110.937 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.18 -60.72 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 72.35 110.903 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -25.73 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.906 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.39 8.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 62.35 112.507 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.72 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 34.41 110.906 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.48 86.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 73.55 111.093 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -26.88 42.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -73.01 -32.34 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 73.5 110.858 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.23 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -74.0 0.64 12.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 75.13 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -31.78 72.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.885 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.09 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 73.14 111.156 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.31 -46.69 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.64 81.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 74.31 111.107 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.98 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 44.21 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.91 76.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.22 111.068 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.04 57.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 53.31 112.528 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 74.43 111.077 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD23 ' A' ' 16' ' ' LEU . 9.1 m -65.54 -54.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 64.01 111.134 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 16' ' ' LEU . 61.9 t -61.62 -40.02 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.132 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.23 83.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 70.43 112.46 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.48 -50.38 21.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.504 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.32 69.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 71.25 110.935 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.92 -40.42 84.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 73.34 112.474 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.87 77.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.22 112.479 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.91 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 73.0 110.941 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.29 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -25.81 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.35 8.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.33 112.5 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.77 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 73.22 110.816 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.079 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtm -79.15 -26.87 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 65.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -32.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.903 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 74.44 110.901 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 tttp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.862 0.363 . . . . 73.44 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -73.97 0.67 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.912 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.83 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.879 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.2 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.039 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.69 33.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 51.54 112.514 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.71 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 75.41 111.106 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.07 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.052 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.99 -47.01 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.14 111.119 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.123 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.1 57.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 51.22 112.477 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.19 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 73.04 111.108 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.2 m -65.54 -54.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.1 111.137 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.0 t -61.6 -40.09 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 70.15 111.116 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 61.2 112.49 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 65.41 112.482 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.3 69.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 75.44 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.4 84.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 72.35 112.475 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.88 77.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 75.2 112.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.01 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.931 0.396 . . . . 75.52 110.99 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.77 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 72.31 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -25.8 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.931 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.38 8.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 51.15 112.503 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -28.78 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.34 110.848 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.51 86.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 54.5 111.128 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.84 42.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.891 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -73.06 -32.32 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.5 110.838 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.876 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.844 0.354 . . . . 71.51 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -73.98 0.61 13.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.867 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -31.86 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.53 110.861 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.15 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 51.43 111.105 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.72 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 73.34 112.446 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 64.35 111.105 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.04 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.45 111.111 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.09 -46.89 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.105 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.03 76.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.0 -35.97 57.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 74.3 112.502 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.21 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 65.13 111.128 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 9.2 m -65.52 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.1 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' HD22 ' A' ' 16' ' ' LEU . 61.6 t -61.59 -40.06 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 72.44 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.45 112.506 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.46 20.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.8 -0.714 . . . . 72.24 112.457 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.58 -41.32 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 75.11 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.01 -40.33 84.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.481 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.89 78.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 52.22 112.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.12 -59.9 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 65.43 110.915 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.24 -60.72 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.82 -25.79 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.42 8.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 74.24 112.464 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.79 61.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 70.11 110.851 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.49 86.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 74.31 111.074 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 74.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 t -73.0 -32.36 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.33 110.859 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.855 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 pttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.855 0.359 . . . . 74.42 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -73.97 0.67 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 71.5 110.864 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -31.84 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.848 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.1 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.109 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.68 32.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 62.42 112.514 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.81 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 64.54 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.04 72.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.03 -46.94 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 72.11 111.119 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.07 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.089 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.06 57.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 70.22 112.456 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 75.52 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 9.3 m -65.46 -54.3 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.16 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' HD22 ' A' ' 16' ' ' LEU . 61.9 t -61.55 -40.13 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.069 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.27 83.62 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 52.41 112.511 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.37 21.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 74.5 112.477 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.35 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 75.31 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.35 84.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 74.33 112.456 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.86 77.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 73.15 112.514 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.97 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 71.33 110.905 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.16 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 70.3 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.76 -25.84 67.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.936 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.4 8.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 44.55 112.494 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.78 61.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 72.24 110.862 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 74.22 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.3 mtt -79.09 -26.81 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.06 -32.31 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.838 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.884 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.3 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 74.23 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -73.99 0.57 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -31.79 72.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.14 70.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.64 32.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 73.31 112.469 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 52.54 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.01 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.11 75.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.32 111.082 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 12' ' ' VAL . . . -69.1 -37.01 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 71.31 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.17 -36.11 56.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 73.11 112.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 71.35 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 16' ' ' LEU . 7.1 m -65.56 -54.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.091 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' HA ' HD22 ' A' ' 16' ' ' LEU . 58.5 t -61.38 -40.1 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.24 83.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.517 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.38 20.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 74.1 112.48 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.37 69.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 75.33 110.944 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.35 84.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 73.35 112.494 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.94 78.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 54.14 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.96 2.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 73.25 110.926 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.23 -60.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 63.01 110.915 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -25.76 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.36 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 60.15 112.504 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.78 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.21 110.839 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.02 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.83 42.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.31 110.822 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.5 pttm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 74.24 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -74.0 0.65 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.823 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 72.05 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.14 70.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.14 111.115 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.64 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 60.31 112.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.7 81.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 63.44 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.02 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 54.42 111.107 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.04 75.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.099 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -69.18 -37.01 77.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.19 -36.18 56.38 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 62.15 112.457 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.5 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 71.22 111.083 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 9' ' ' ALA . 7.4 m -65.48 -54.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.137 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' HD23 ' A' ' 16' ' ' LEU . 58.4 t -61.4 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.099 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.26 83.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.512 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.42 20.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 72.31 112.44 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.54 -41.34 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.05 110.907 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.4 84.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 54.41 112.523 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.92 78.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 75.13 112.497 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.07 -59.94 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.23 110.926 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.26 -60.78 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.45 110.85 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.87 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.917 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.37 8.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 73.35 112.486 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -28.76 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 64.33 110.857 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.53 87.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.52 111.108 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -26.81 42.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.849 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -73.08 -32.34 64.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 60.32 110.819 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.882 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 75.23 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.95 0.52 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.855 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -31.85 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 54.22 111.077 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.27 -46.68 33.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 71.13 112.478 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 65.34 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.01 71.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.96 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 75.2 111.104 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.07 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.045 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.1 57.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 72.54 112.472 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 71.15 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.3 m -65.49 -54.27 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.174 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.0 t -61.56 -40.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 73.22 111.149 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 74.44 112.503 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.41 -50.49 20.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.812 -0.708 . . . . 63.33 112.486 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.5 -41.37 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 74.42 110.917 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.41 84.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.479 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.9 78.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 64.12 112.512 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.0 -59.95 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 64.22 110.964 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.77 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 72.13 110.862 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.32 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.36 8.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 74.52 112.542 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.77 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 64.11 110.893 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.51 86.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 55.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.22 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -72.99 -32.38 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.848 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.848 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 70.3 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -74.06 0.74 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.85 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.0 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.61 -46.9 36.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 64.25 112.533 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.54 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 65.43 111.085 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.98 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.02 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.13 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.1 57.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.504 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.24 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 61.32 111.064 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.2 m -65.53 -54.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.153 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.0 t -61.65 -40.06 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.33 111.109 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.2 83.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 71.35 112.504 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.45 20.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.466 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 74.43 110.948 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.36 84.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 74.43 112.484 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.39 -31.9 78.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 70.12 112.502 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 72.45 110.934 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.21 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.928 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -25.85 67.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 62.43 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -53.32 8.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.31 112.518 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -28.75 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.41 110.859 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.47 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 70.32 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -26.89 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.861 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -72.96 -32.36 65.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.851 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.24 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.5 pttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.809 0.338 . . . . 72.2 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.01 0.69 12.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.843 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.91 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.61 -38.2 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.076 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.67 33.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 74.12 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 62.44 111.112 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.02 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 54.42 111.088 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.03 75.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 60.04 111.095 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.08 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.11 57.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 32.51 112.483 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -43.23 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 41.31 111.136 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.0 m -65.54 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.1 111.09 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HA ' HD21 ' A' ' 16' ' ' LEU . 61.6 t -61.57 -40.1 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.469 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.39 21.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 53.44 112.499 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.4 69.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.24 110.926 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.37 84.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 73.22 112.512 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.81 77.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 74.32 112.472 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.16 -59.86 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 75.31 110.94 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.82 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.34 110.83 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -25.47 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.95 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.76 -53.37 8.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 53.13 112.546 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -29.1 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 73.34 110.827 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.26 86.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.3 ttp -79.21 -26.83 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.16 -32.37 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 62.21 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.21 110.868 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 74.34 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 0.53 13.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.892 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -31.79 72.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.17 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 75.34 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.67 32.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 53.13 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.78 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 72.42 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.08 71.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.13 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.95 76.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 71.35 111.121 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.1 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 75.43 111.082 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.09 57.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 71.02 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 64.24 111.055 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' HD21 ' A' ' 16' ' ' LEU . 9.3 m -65.48 -54.33 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.2 111.115 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.433 ' HA ' HD23 ' A' ' 16' ' ' LEU . 61.8 t -61.52 -40.06 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.095 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 63.44 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.38 21.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.502 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.0 OUTLIER -71.53 -41.38 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 74.1 110.932 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.28 84.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.467 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.01 78.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -59.99 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 72.1 110.966 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 75.25 110.899 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -25.32 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.81 -53.4 8.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 64.31 112.508 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.39 61.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 74.21 110.802 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.32 86.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 65.12 111.098 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -79.14 -27.15 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -73.01 -32.36 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.877 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.41 110.863 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.802 0.334 . . . . 75.52 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -73.91 0.52 13.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.915 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.8 85.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.99 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 75.33 111.057 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -46.98 36.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 61.44 112.44 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.57 81.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 75.13 111.107 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.0 72.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 71.52 111.064 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.11 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 54.33 111.091 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -69.16 -37.0 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -36.21 56.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 64.42 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.47 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 74.13 111.105 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' HD21 ' A' ' 16' ' ' LEU . 7.2 m -65.5 -54.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.33 111.117 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' HA ' HD23 ' A' ' 16' ' ' LEU . 58.0 t -61.37 -40.04 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.32 111.105 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.33 83.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 72.23 112.455 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.38 21.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 74.44 112.475 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 73.44 110.931 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.84 -40.42 84.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.508 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.92 78.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.452 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -60.0 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 75.03 110.906 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.83 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 74.34 110.911 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.05 -25.41 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.71 -53.48 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 61.03 112.511 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.17 61.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 74.52 110.863 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.29 86.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 62.22 111.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ttm -79.17 -26.82 42.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.08 -32.48 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 73.33 110.842 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 72.2 110.891 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 pttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.833 0.349 . . . . 74.23 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -73.98 0.61 13.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.839 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -31.66 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 52.54 111.132 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.7 32.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.441 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.747 0.308 . . . . 72.01 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.02 71.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.128 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.01 -46.95 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.093 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.08 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 61.42 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.07 57.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 74.02 112.487 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.18 72.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 73.3 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' HD22 ' A' ' 16' ' ' LEU . 9.0 m -65.56 -54.27 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.13 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' HA ' HD21 ' A' ' 16' ' ' LEU . 62.1 t -61.61 -40.04 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 61.42 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 73.21 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 73.03 112.467 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.558 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.29 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 63.44 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.98 -40.41 84.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 70.04 112.477 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 74.41 112.464 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.41 110.946 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.63 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -26.13 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 65.44 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.42 -53.51 8.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 70.2 112.509 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -30.24 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 64.02 110.823 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.44 92.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 60.32 111.15 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -24.96 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.836 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -71.68 -28.32 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.05 110.804 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.823 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 73.13 110.852 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.84 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.866 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.072 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.64 33.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 65.32 112.48 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.74 81.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 64.54 111.096 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.99 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.084 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.06 -46.96 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 61.05 111.118 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.0 76.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.02 111.111 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.95 -36.06 57.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 74.41 112.498 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 61.14 111.106 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.51 -54.3 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.105 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.57 -40.09 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 35.23 111.129 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 52.25 112.487 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.36 21.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 33.01 112.497 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.34 69.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 75.31 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.88 -40.45 84.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 74.23 112.508 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.88 78.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 74.31 112.456 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 72.52 110.948 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.28 -60.69 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.03 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -25.78 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.31 8.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 60.43 112.457 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.74 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 65.44 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.49 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.147 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.89 42.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -73.01 -32.39 65.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.838 0.351 . . . . 74.55 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.538 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.23 -28.18 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.855 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.538 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -70.87 -39.74 72.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.05 30.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 52.44 112.459 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.78 -36.71 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 70.45 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.09 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.173 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.9 -47.07 76.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.074 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.17 -37.05 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 64.53 111.122 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.16 56.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 75.24 112.454 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 74.34 111.13 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.53 -54.25 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 64.51 111.126 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.2 t -61.39 -40.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.165 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.37 -32.31 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 64.21 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.38 21.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 73.33 112.496 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.35 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 53.03 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.34 84.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 64.04 112.489 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.95 78.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.45 112.48 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -59.92 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 65.11 110.96 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.3 -60.71 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.82 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -53.35 8.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.718 . . . . 54.45 112.489 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -28.78 61.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 74.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.46 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.106 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -26.77 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -73.05 -32.31 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 64.53 110.872 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 70.14 110.842 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.851 0.358 . . . . 74.43 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.533 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.932 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.533 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.2 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.131 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.68 33.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 43.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.64 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.337 . . . . 70.51 111.088 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.98 71.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.088 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.08 -46.91 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.106 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.06 76.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.076 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.02 57.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.527 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.25 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 52.12 111.077 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.47 -54.32 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 64.04 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.58 -40.06 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.158 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 74.02 112.537 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.47 20.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 72.34 112.493 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.32 69.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 75.21 110.944 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.35 84.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 40.11 112.483 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.85 77.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 51.31 112.442 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.16 -59.9 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 73.54 110.91 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.9 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -25.79 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.45 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.4 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 63.01 112.477 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.8 61.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 61.05 110.858 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.106 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.39 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 61.11 110.846 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 75.14 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.82 -31.82 73.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.828 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.62 -38.13 70.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.141 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.69 32.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 71.24 112.502 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 73.41 111.09 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.98 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.01 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 75.1 111.094 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.58 -37.02 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 54.44 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.98 -36.02 57.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.777 . . . . 72.42 112.523 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 43.24 111.14 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.5 -54.26 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 54.11 111.156 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.56 -40.05 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 62.11 111.179 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.711 -0.757 . . . . 72.42 112.507 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.39 21.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.34 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.34 110.945 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.38 84.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.512 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 51.12 112.488 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.04 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 73.42 110.959 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.7 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -25.82 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 61.24 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -53.35 8.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 72.53 112.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.44 -28.74 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.378 . . . . 71.45 110.859 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.44 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.31 111.068 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtm -79.14 -26.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.36 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 44.42 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.876 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 75.2 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.559 ' HE3' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.95 -31.76 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.853 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.559 ' HB2' ' HE3' ' A' ' 3' ' ' MET . . . -71.69 -38.12 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 71.25 111.104 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.38 -46.59 32.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.474 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 72.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -41.0 71.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.056 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.97 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 71.4 111.115 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.22 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.93 -36.08 57.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 33.12 112.512 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.19 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 53.21 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.46 -54.32 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 61.5 111.107 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.05 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.168 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 44.13 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.34 21.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 34.25 112.54 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.3 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 65.12 110.891 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.34 84.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 55.13 112.464 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.85 77.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 53.4 112.515 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 72.41 110.913 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.76 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.21 110.86 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -25.85 67.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.931 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.4 8.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.77 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 72.21 110.832 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.55 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 65.33 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtt -79.09 -26.81 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -73.07 -32.32 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 54.3 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.15 110.846 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.806 0.336 . . . . 64.41 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.74 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.9 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.74 -38.09 70.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.2 111.114 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.69 32.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.22 112.477 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.62 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 74.33 111.092 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.98 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.13 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.02 75.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 65.4 111.066 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.03 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.45 111.098 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.14 57.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 62.05 112.504 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.19 72.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 74.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.28 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.108 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.56 -40.13 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 52.22 111.107 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.15 83.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 61.45 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.35 21.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 62.41 112.524 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.32 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 62.11 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.4 84.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 53.54 112.476 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.91 78.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 72.4 110.945 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.76 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -25.82 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 54.44 110.923 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.51 8.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 32.43 112.488 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -28.74 61.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.44 110.835 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.28 87.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.124 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -27.14 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.873 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.1 p -73.03 -32.29 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.838 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.0 t60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.78 0.324 . . . . 73.45 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.524 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.86 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.19 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.108 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.63 33.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.69 81.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 41.2 111.061 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.05 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 55.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.94 76.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.02 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.11 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -36.09 57.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 40.15 112.479 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.25 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 52.12 111.083 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.5 -54.34 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.54 111.096 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.54 -40.06 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.161 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.33 -32.21 83.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 72.44 112.516 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.44 20.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 63.5 112.456 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 74.14 110.91 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.4 84.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 31.15 112.505 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.9 77.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 72.44 112.421 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -60.01 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 61.13 110.918 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.13 -60.83 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 64.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -25.78 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.67 -53.37 8.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.442 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.76 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 71.34 110.88 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.33 111.119 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -73.02 -32.37 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 63.31 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.879 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.6 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 73.32 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.525 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.93 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 54.05 110.826 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.525 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.1 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 65.04 111.114 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.66 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 72.34 112.468 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.64 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 75.25 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.08 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.089 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.94 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 54.43 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.11 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 73.32 111.082 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.08 57.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 65.55 112.435 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 73.41 111.088 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.51 -54.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 53.04 111.163 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.131 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.25 83.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 61.14 112.481 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.46 20.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 54.44 112.488 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.49 -41.37 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.13 110.943 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.41 84.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 54.32 112.481 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.91 78.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.481 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -60.01 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 70.24 110.937 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.18 -60.72 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 61.15 110.903 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -25.73 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.906 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.39 8.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 62.35 112.507 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.72 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 34.41 110.906 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.48 86.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.093 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -26.88 42.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -73.01 -32.34 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 73.5 110.858 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.798 0.332 . . . . 75.13 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.78 72.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.885 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.09 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 44.44 111.156 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.31 -46.69 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.64 81.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 74.31 111.107 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.98 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 44.21 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.692 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -46.91 76.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.115 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.63 -37.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.12 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.04 57.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 52.25 112.528 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 74.43 111.077 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.1 m -65.54 -54.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 63.51 111.134 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.62 -40.02 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.132 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.23 83.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 70.43 112.46 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.48 -50.38 21.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.504 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.32 69.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 71.25 110.935 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.92 -40.42 84.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 31.12 112.474 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.87 77.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 64.1 112.479 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.91 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 72.52 110.941 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.29 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 72.13 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -25.81 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.35 8.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.33 112.5 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.77 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 73.22 110.816 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.079 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtm -79.15 -26.87 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 65.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -32.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.903 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 61.23 110.901 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.843 0.354 . . . . 72.03 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.523 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.83 -31.83 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.879 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.523 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.2 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.039 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.69 33.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 32.12 112.514 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.71 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 70.02 111.106 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.07 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.052 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.99 -47.01 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.14 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 60.34 111.123 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.1 57.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 51.22 112.477 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.19 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 73.04 111.108 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 64.44 111.137 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.6 -40.09 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 70.15 111.116 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 61.2 112.49 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 65.41 112.482 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.3 69.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 75.44 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.4 84.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 52.13 112.475 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.88 77.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 55.1 112.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.01 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.931 0.396 . . . . 75.52 110.99 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.77 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 72.31 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -25.8 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.931 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.38 8.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 51.15 112.503 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -28.78 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.34 110.848 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.51 86.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 54.5 111.128 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.84 42.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.891 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -73.06 -32.32 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.1 110.838 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.876 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.793 0.33 . . . . 75.21 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.8 -31.86 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.42 110.861 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.15 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 24.12 111.105 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.72 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 73.34 112.446 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 64.35 111.105 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.04 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.111 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.09 -46.89 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.105 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.03 76.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.0 -35.97 57.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 74.3 112.502 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.21 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 65.13 111.128 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.52 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 51.35 111.1 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.59 -40.06 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 72.44 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 50.11 112.506 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.46 20.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.8 -0.714 . . . . 72.24 112.457 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.58 -41.32 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 72.34 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.01 -40.33 84.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.481 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.89 78.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 44.14 112.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.12 -59.9 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 60.32 110.915 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.24 -60.72 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.82 -25.79 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.42 8.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 64.52 112.464 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.79 61.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 65.25 110.851 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.49 86.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 74.23 111.074 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.857 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 t -73.0 -32.36 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.33 110.859 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.855 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.782 0.325 . . . . 71.5 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.84 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.848 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.71 -38.1 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.44 111.109 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.68 32.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 52.14 112.514 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.81 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 64.54 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.04 72.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.94 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 71.54 111.119 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.07 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.089 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.06 57.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 70.22 112.456 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 50.31 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.46 -54.3 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.16 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.56 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.55 -40.13 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.069 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.27 83.62 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 44.44 112.511 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.37 21.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 74.5 112.477 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.35 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 75.31 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.35 84.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 43.55 112.456 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.86 77.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 70.32 112.514 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.97 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 65.2 110.905 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.16 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.03 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.76 -25.84 67.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.936 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.4 8.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 44.55 112.494 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.78 61.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 60.14 110.862 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 72.12 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.3 mtt -79.09 -26.81 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.06 -32.31 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.838 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.884 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.329 . . . . 74.43 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.79 72.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.827 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 60.35 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.64 32.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 30.12 112.469 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 43.4 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.01 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.11 75.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.32 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.1 -37.01 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 54.44 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.17 -36.11 56.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 41.24 112.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 71.35 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.1 m -65.56 -54.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.091 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.566 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.5 t -61.38 -40.1 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.24 83.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.517 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.38 20.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 71.23 112.48 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.37 69.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 75.33 110.944 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.35 84.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.494 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.94 78.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 44.45 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.96 2.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 73.25 110.926 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.23 -60.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 63.01 110.915 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -25.76 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.36 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 51.13 112.504 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.78 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.21 110.839 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.83 42.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.822 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.331 . . . . 71.43 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.51 110.913 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.14 111.115 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.64 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 60.13 112.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.7 81.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 51.21 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.02 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 52.42 111.107 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.04 75.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.18 -37.01 77.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 43.02 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.19 -36.18 56.38 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 52.22 112.457 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.5 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 71.22 111.083 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.4 m -65.48 -54.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.137 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.4 t -61.4 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.099 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.26 83.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.512 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.42 20.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 72.31 112.44 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.54 -41.34 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 65.15 110.907 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.4 84.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 54.41 112.523 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.92 78.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 75.13 112.497 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.07 -59.94 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.23 110.926 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.26 -60.78 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.85 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.87 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.917 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.37 8.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 73.35 112.486 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -28.76 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 54.04 110.857 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.53 87.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 54.32 111.108 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -26.81 42.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.849 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -73.08 -32.34 64.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 52.24 110.819 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.882 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.76 0.314 . . . . 74.45 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.75 -31.85 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 53.14 111.077 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.27 -46.68 33.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 71.13 112.478 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 65.34 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.01 71.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.96 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.07 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.045 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.1 57.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 52.14 112.472 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 71.15 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.49 -54.27 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.174 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.56 -40.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.149 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 74.44 112.503 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.41 -50.49 20.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.812 -0.708 . . . . 63.33 112.486 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.5 -41.37 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 62.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.41 84.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.479 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.9 78.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 64.12 112.512 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.0 -59.95 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 64.22 110.964 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.77 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 65.51 110.862 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.36 8.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 74.52 112.542 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.77 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 64.03 110.893 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.51 86.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 55.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -72.99 -32.38 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.848 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.848 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.79 0.329 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.85 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.0 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.61 -46.9 36.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 64.25 112.533 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.54 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 64.25 111.085 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.98 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.02 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.111 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.51 -37.13 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 40.53 111.085 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.1 57.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.504 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.24 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 40.44 111.064 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.53 -54.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.153 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.65 -40.06 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.33 111.109 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.2 83.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 71.35 112.504 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.45 20.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.466 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 73.53 110.948 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.36 84.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 74.14 112.484 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.39 -31.9 78.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 11.34 112.502 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 53.44 110.934 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.21 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.928 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -25.85 67.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 51.2 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -53.32 8.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.31 112.518 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -28.75 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.41 110.859 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.47 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 54.12 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -26.89 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.861 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -72.96 -32.36 65.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.851 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 61.44 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.747 0.308 . . . . 65.32 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.91 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.909 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.522 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.2 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.67 33.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 43.45 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 62.12 111.112 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.02 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 54.42 111.088 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.03 75.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 60.04 111.095 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.57 -37.08 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 52.45 111.111 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.11 57.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 24.11 112.483 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -43.23 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 41.31 111.136 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.54 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.09 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.57 -40.1 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.469 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.39 21.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 43.31 112.499 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.4 69.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.24 110.926 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.37 84.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 73.22 112.512 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.81 77.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 74.32 112.472 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.16 -59.86 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 75.31 110.94 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.82 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.34 110.83 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -25.47 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.95 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.76 -53.37 8.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 53.13 112.546 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -29.1 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 64.21 110.827 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.26 86.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.3 ttp -79.21 -26.83 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.16 -32.37 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 53.22 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.21 110.868 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.797 0.332 . . . . 73.31 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.528 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.79 72.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.891 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.528 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.17 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 51.22 111.124 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.67 32.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 53.13 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.78 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 72.42 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.08 71.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 43.43 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.97 -46.95 76.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 53.32 111.121 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.61 -37.1 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.082 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.09 57.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 54.31 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 64.24 111.055 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.48 -54.33 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.2 111.115 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.06 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.095 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 53.33 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.38 21.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.502 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.0 OUTLIER -71.53 -41.38 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 70.03 110.932 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.28 84.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.467 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.01 78.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 33.43 112.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -59.99 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 72.1 110.966 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 75.25 110.899 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -25.32 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.81 -53.4 8.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 64.31 112.508 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.39 61.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 70.24 110.802 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.32 86.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 61.35 111.098 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -79.14 -27.15 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -73.01 -32.36 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 61.21 110.877 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.41 110.863 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 m170 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 73.11 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.8 85.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.99 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 63.25 111.057 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -46.98 36.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 61.44 112.44 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.57 81.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 72.01 111.107 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.0 72.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 71.52 111.064 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.11 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 51.12 111.091 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.16 -37.0 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -36.21 56.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 64.42 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.47 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 64.45 111.105 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.5 -54.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.12 111.117 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.0 t -61.37 -40.04 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.32 111.105 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.33 83.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 72.23 112.455 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.38 21.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 74.44 112.475 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 71.22 110.931 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.84 -40.42 84.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.508 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.92 78.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.452 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -60.0 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 73.12 110.906 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.83 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.911 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.05 -25.41 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.71 -53.48 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 61.03 112.511 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.17 61.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 53.24 110.863 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.29 86.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 60.25 111.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ttm -79.17 -26.82 42.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.08 -32.48 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 53.44 110.842 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 61.15 110.891 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 74.45 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.66 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.832 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.73 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 52.54 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.7 32.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.441 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.747 0.308 . . . . 72.01 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.02 71.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 65.43 111.128 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.95 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.093 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.08 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 44.21 111.059 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.07 57.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 64.32 112.487 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.18 72.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 64.35 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.56 -54.27 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 64.54 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.04 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.13 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 40.3 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.44 112.467 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.29 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 50.55 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.98 -40.41 84.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 64.52 112.477 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 74.41 112.464 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.41 110.946 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.63 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -26.13 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 43.54 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.42 -53.51 8.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 70.2 112.509 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -30.24 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 52.11 110.823 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.44 92.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 50.01 111.15 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -24.96 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.836 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -71.68 -28.32 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.05 110.804 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.823 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.801 0.334 . . . . 71.33 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.96 0.59 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.852 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.84 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.866 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.072 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.64 33.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 65.32 112.48 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.74 81.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 64.54 111.096 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.99 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.084 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.06 -46.96 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 61.05 111.118 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.0 76.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.02 111.111 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.95 -36.06 57.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 74.41 112.498 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 61.14 111.106 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.51 -54.3 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.105 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.57 -40.09 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 35.23 111.129 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 52.25 112.487 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.36 21.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 33.01 112.497 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.34 69.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 75.31 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.88 -40.45 84.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 74.23 112.508 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.88 78.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 74.31 112.456 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 72.52 110.948 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.28 -60.69 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.03 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -25.78 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.31 8.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 60.43 112.457 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.74 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 65.44 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.49 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.147 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.89 42.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -73.01 -32.39 65.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 71.34 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.9 0.46 13.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.538 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.23 -28.18 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.855 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.538 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -70.87 -39.74 72.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.05 30.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 52.44 112.459 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.78 -36.71 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 70.45 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.09 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.173 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.9 -47.07 76.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.074 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.17 -37.05 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 64.53 111.122 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.16 56.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 75.24 112.454 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 74.34 111.13 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.53 -54.25 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 64.51 111.126 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.2 t -61.39 -40.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.165 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.37 -32.31 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 64.21 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.38 21.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 73.33 112.496 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.35 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 53.03 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.34 84.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 64.04 112.489 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.95 78.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.45 112.48 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -59.92 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 65.11 110.96 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.3 -60.71 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.82 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -53.35 8.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.718 . . . . 54.45 112.489 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -28.78 61.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 74.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.46 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.106 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -26.77 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -73.05 -32.31 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 64.53 110.872 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 70.14 110.842 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.809 0.338 . . . . 72.15 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -74.0 0.68 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.533 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.932 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.533 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.2 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.131 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.68 33.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 43.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.64 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.337 . . . . 70.51 111.088 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.98 71.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.088 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.08 -46.91 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.106 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.06 76.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.076 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.02 57.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.527 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.25 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 52.12 111.077 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.47 -54.32 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 64.04 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.58 -40.06 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.158 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 74.02 112.537 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.47 20.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 72.34 112.493 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.32 69.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 75.21 110.944 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.35 84.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 40.11 112.483 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.85 77.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 51.31 112.442 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.16 -59.9 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 73.54 110.91 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.9 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -25.79 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.45 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.4 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 63.01 112.477 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.8 61.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 61.05 110.858 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.106 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.39 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 61.11 110.846 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.854 0.359 . . . . 64.51 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -73.97 0.64 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.867 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.82 -31.82 73.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.828 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.62 -38.13 70.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.141 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.69 32.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 71.24 112.502 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 73.41 111.09 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.98 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.01 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 75.1 111.094 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.58 -37.02 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 54.44 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.98 -36.02 57.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.777 . . . . 72.42 112.523 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 43.24 111.14 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.5 -54.26 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 54.11 111.156 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.56 -40.05 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 62.11 111.179 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.711 -0.757 . . . . 72.42 112.507 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.39 21.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.34 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.34 110.945 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.38 84.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.512 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 51.12 112.488 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.04 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 73.42 110.959 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.7 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -25.82 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 61.24 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -53.35 8.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 72.53 112.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.44 -28.74 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.378 . . . . 71.45 110.859 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.44 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.31 111.068 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtm -79.14 -26.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.36 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 44.42 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.876 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.2 tttp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.852 0.358 . . . . 74.04 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -73.91 0.59 12.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 75.2 110.88 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.516 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.95 -31.76 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.853 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.69 -38.12 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 71.25 111.104 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.38 -46.59 32.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.474 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 72.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -41.0 71.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.056 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.97 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 71.4 111.115 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.22 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.93 -36.08 57.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 33.12 112.512 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.19 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 53.21 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.46 -54.32 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 61.5 111.107 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.05 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.168 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 44.13 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.34 21.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 34.25 112.54 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.3 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 65.12 110.891 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.34 84.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 55.13 112.464 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.85 77.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 53.4 112.515 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 72.41 110.913 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.76 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.21 110.86 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -25.85 67.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.931 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.4 8.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.77 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 72.21 110.832 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.55 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 65.33 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtt -79.09 -26.81 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -73.07 -32.32 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 54.3 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.15 110.846 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 tttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 75.13 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -73.98 0.63 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 64.41 110.867 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.74 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.9 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.74 -38.09 70.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.2 111.114 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.69 32.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.22 112.477 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.62 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 74.33 111.092 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.98 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.13 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.02 75.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 65.4 111.066 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.03 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.45 111.098 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.14 57.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 62.05 112.504 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.19 72.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 74.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.28 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.108 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.56 -40.13 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 52.22 111.107 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.15 83.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 61.45 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.35 21.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 62.41 112.524 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.32 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 62.11 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.4 84.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 53.54 112.476 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.91 78.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 72.4 110.945 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.76 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -25.82 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 54.44 110.923 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.51 8.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 32.43 112.488 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -28.74 61.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.44 110.835 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.28 87.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.124 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -27.14 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.873 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.1 p -73.03 -32.29 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.838 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.772 0.32 . . . . 72.13 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -74.07 0.67 13.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.45 110.827 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.524 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.86 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.19 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.108 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.63 33.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.69 81.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 41.2 111.061 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.05 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 55.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.94 76.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.02 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.11 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -36.09 57.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 40.15 112.479 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.25 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 52.12 111.083 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.5 -54.34 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.54 111.096 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.54 -40.06 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.161 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.33 -32.21 83.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 72.44 112.516 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.44 20.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 63.5 112.456 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 74.14 110.91 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.4 84.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 31.15 112.505 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.9 77.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 72.44 112.421 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -60.01 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 61.13 110.918 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.13 -60.83 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 64.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -25.78 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.67 -53.37 8.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.442 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.76 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 71.34 110.88 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.33 111.119 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -73.02 -32.37 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 63.31 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.879 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.8 0.334 . . . . 64.43 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -74.04 0.65 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.85 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.525 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.93 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 54.05 110.826 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.525 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.1 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 65.04 111.114 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.66 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 72.34 112.468 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.64 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 75.25 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.08 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.089 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.94 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 54.43 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.11 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 73.32 111.082 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.08 57.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 65.55 112.435 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 73.41 111.088 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.51 -54.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 53.04 111.163 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.131 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.25 83.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 61.14 112.481 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.46 20.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 54.44 112.488 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.49 -41.37 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.13 110.943 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.41 84.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 54.32 112.481 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.91 78.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.481 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -60.01 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 70.24 110.937 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.18 -60.72 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 61.15 110.903 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -25.73 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.906 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.39 8.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 62.35 112.507 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.72 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 34.41 110.906 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.48 86.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.093 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -26.88 42.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -73.01 -32.34 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 73.5 110.858 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.23 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -74.0 0.64 12.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 75.13 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.78 72.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.885 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.09 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 44.44 111.156 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.31 -46.69 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.64 81.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 74.31 111.107 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.98 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 44.21 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -46.91 76.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.115 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.63 -37.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.12 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.04 57.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 52.25 112.528 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 74.43 111.077 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.1 m -65.54 -54.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 63.51 111.134 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.62 -40.02 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.132 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.23 83.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 70.43 112.46 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.48 -50.38 21.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.504 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.32 69.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 71.25 110.935 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.92 -40.42 84.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 31.12 112.474 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.87 77.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 64.1 112.479 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.91 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 72.52 110.941 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.29 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 72.13 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -25.81 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.35 8.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.33 112.5 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.77 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 73.22 110.816 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.079 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtm -79.15 -26.87 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 65.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -32.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.903 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 61.23 110.901 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 tttp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.862 0.363 . . . . 53.21 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -73.97 0.67 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.912 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.523 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.83 -31.83 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.879 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.523 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.2 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.039 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.69 33.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 32.12 112.514 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.71 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 70.02 111.106 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.07 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.052 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.99 -47.01 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.14 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 60.34 111.123 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.1 57.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 51.22 112.477 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.19 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 73.04 111.108 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 64.44 111.137 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.6 -40.09 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 70.15 111.116 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 61.2 112.49 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 65.41 112.482 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.3 69.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 75.44 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.4 84.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 52.13 112.475 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.88 77.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 55.1 112.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.01 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.931 0.396 . . . . 75.52 110.99 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.77 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 72.31 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -25.8 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.931 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.38 8.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 51.15 112.503 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -28.78 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.34 110.848 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.51 86.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 54.5 111.128 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.84 42.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.891 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -73.06 -32.32 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.1 110.838 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.876 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.844 0.354 . . . . 71.51 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -73.98 0.61 13.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.867 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.8 -31.86 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.42 110.861 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.15 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 24.12 111.105 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.72 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 73.34 112.446 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 64.35 111.105 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.04 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.111 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.09 -46.89 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.105 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.03 76.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.0 -35.97 57.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 74.3 112.502 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.21 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 65.13 111.128 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.52 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 51.35 111.1 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.59 -40.06 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 72.44 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 50.11 112.506 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.46 20.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.8 -0.714 . . . . 72.24 112.457 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.58 -41.32 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 72.34 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.01 -40.33 84.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.481 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.89 78.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 44.14 112.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.12 -59.9 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 60.32 110.915 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.24 -60.72 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.82 -25.79 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.42 8.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 64.52 112.464 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.79 61.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 65.25 110.851 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.49 86.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 74.23 111.074 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.857 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 t -73.0 -32.36 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.33 110.859 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.855 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 pttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.855 0.359 . . . . 74.42 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -73.97 0.67 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 71.5 110.864 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.84 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.848 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.71 -38.1 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.44 111.109 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.68 32.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 52.14 112.514 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.81 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 64.54 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.04 72.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.94 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 71.54 111.119 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.07 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.089 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.06 57.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 70.22 112.456 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 50.31 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.46 -54.3 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.16 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.55 -40.13 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.069 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.27 83.62 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 44.44 112.511 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.37 21.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 74.5 112.477 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.35 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 75.31 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.35 84.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 43.55 112.456 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.86 77.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 70.32 112.514 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.97 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 65.2 110.905 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.16 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.03 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.76 -25.84 67.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.936 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.4 8.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 44.55 112.494 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.78 61.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 60.14 110.862 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 72.12 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.3 mtt -79.09 -26.81 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.06 -32.31 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.838 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.884 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.3 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 74.23 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -73.99 0.57 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.79 72.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.827 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 60.35 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.64 32.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 30.12 112.469 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 43.4 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.01 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.11 75.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.32 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.1 -37.01 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 54.44 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.17 -36.11 56.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 41.24 112.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 71.35 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.1 m -65.56 -54.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.091 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.566 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.5 t -61.38 -40.1 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.24 83.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.517 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.38 20.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 71.23 112.48 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.37 69.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 75.33 110.944 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.35 84.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.494 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.94 78.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 44.45 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.96 2.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 73.25 110.926 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.23 -60.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 63.01 110.915 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -25.76 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.36 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 51.13 112.504 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.78 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.21 110.839 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.83 42.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.822 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.5 pttm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 74.24 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -74.0 0.65 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 71.43 110.823 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.51 110.913 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.14 111.115 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.64 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 60.13 112.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.7 81.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 51.21 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.02 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 52.42 111.107 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.04 75.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.18 -37.01 77.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 43.02 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.19 -36.18 56.38 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 52.22 112.457 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.5 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 71.22 111.083 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.4 m -65.48 -54.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.137 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.4 t -61.4 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.099 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.26 83.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.512 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.42 20.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 72.31 112.44 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.54 -41.34 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 65.15 110.907 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.4 84.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 54.41 112.523 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.92 78.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 75.13 112.497 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.07 -59.94 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.23 110.926 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.26 -60.78 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.85 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.87 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.917 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.37 8.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 73.35 112.486 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -28.76 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 54.04 110.857 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.53 87.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 54.32 111.108 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -26.81 42.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.849 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -73.08 -32.34 64.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 52.24 110.819 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.882 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 74.11 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.95 0.52 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.855 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.75 -31.85 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 53.14 111.077 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.27 -46.68 33.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 71.13 112.478 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 65.34 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.01 71.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.96 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.07 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.045 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.1 57.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 52.14 112.472 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 71.15 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.49 -54.27 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.174 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.56 -40.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.149 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 74.44 112.503 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.41 -50.49 20.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.812 -0.708 . . . . 63.33 112.486 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.5 -41.37 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 62.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.41 84.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.479 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.9 78.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 64.12 112.512 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.0 -59.95 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 64.22 110.964 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.77 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 65.51 110.862 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.36 8.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 74.52 112.542 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.77 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 64.03 110.893 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.51 86.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 55.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -72.99 -32.38 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.848 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.848 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 70.3 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -74.06 0.74 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.85 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.0 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.61 -46.9 36.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 64.25 112.533 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.54 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 64.25 111.085 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.98 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.02 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.111 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.51 -37.13 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 40.53 111.085 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.1 57.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.504 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.24 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 40.44 111.064 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.53 -54.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.153 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.65 -40.06 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.33 111.109 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.2 83.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 71.35 112.504 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.45 20.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.466 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 73.53 110.948 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.36 84.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 74.14 112.484 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.39 -31.9 78.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 11.34 112.502 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 53.44 110.934 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.21 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.928 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -25.85 67.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 51.2 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -53.32 8.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.31 112.518 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -28.75 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.41 110.859 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.47 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 54.12 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -26.89 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.861 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -72.96 -32.36 65.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.851 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 61.44 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.5 pttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.809 0.338 . . . . 71.4 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.01 0.69 12.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.843 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.91 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.909 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.522 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.2 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.67 33.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 43.45 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 62.12 111.112 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.02 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 54.42 111.088 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.03 75.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 60.04 111.095 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.57 -37.08 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 52.45 111.111 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.11 57.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 24.11 112.483 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -43.23 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 41.31 111.136 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.54 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.09 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.57 -40.1 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.469 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.39 21.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 43.31 112.499 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.4 69.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.24 110.926 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.37 84.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 73.22 112.512 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.81 77.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 74.32 112.472 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.16 -59.86 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 75.31 110.94 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.82 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.34 110.83 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -25.47 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.95 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.76 -53.37 8.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 53.13 112.546 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -29.1 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 64.21 110.827 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.26 86.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.3 ttp -79.21 -26.83 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.16 -32.37 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 53.22 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.21 110.868 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 61.42 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 0.53 13.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.892 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.528 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.79 72.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.891 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.528 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.17 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 51.22 111.124 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.67 32.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 53.13 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.78 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 72.42 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.08 71.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 43.43 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.97 -46.95 76.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 53.32 111.121 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.61 -37.1 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.082 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.09 57.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 54.31 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 64.24 111.055 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.48 -54.33 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.2 111.115 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.06 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.095 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 53.33 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.38 21.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.502 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.0 OUTLIER -71.53 -41.38 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 70.03 110.932 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.28 84.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.467 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.01 78.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 33.43 112.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -59.99 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 72.1 110.966 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 75.25 110.899 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -25.32 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.81 -53.4 8.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 64.31 112.508 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.39 61.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 70.24 110.802 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.32 86.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 61.35 111.098 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -79.14 -27.15 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -73.01 -32.36 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 61.21 110.877 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.41 110.863 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.802 0.334 . . . . 61.11 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -73.91 0.52 13.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.915 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.8 85.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.99 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 63.25 111.057 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -46.98 36.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 61.44 112.44 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.57 81.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 72.01 111.107 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.0 72.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 71.52 111.064 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.11 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 51.12 111.091 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.16 -37.0 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -36.21 56.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 64.42 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.47 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 64.45 111.105 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.5 -54.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.12 111.117 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.0 t -61.37 -40.04 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.32 111.105 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.33 83.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 72.23 112.455 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.38 21.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 74.44 112.475 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 71.22 110.931 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.84 -40.42 84.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.508 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.92 78.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.452 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -60.0 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 73.12 110.906 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.83 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.911 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.05 -25.41 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.71 -53.48 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 61.03 112.511 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.17 61.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 53.24 110.863 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.29 86.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 60.25 111.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ttm -79.17 -26.82 42.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.08 -32.48 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 53.44 110.842 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 61.15 110.891 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 pttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.833 0.349 . . . . 74.21 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -73.98 0.61 13.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.839 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.66 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.832 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.73 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 52.54 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.7 32.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.441 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.747 0.308 . . . . 72.01 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.02 71.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 65.43 111.128 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.95 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.093 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.08 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 44.21 111.059 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.07 57.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 64.32 112.487 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.18 72.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 64.35 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.56 -54.27 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 64.54 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.04 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.13 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 40.3 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.44 112.467 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.29 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 50.55 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.98 -40.41 84.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 64.52 112.477 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 74.41 112.464 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.41 110.946 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.63 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -26.13 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 43.54 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.42 -53.51 8.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 70.2 112.509 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -30.24 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 52.11 110.823 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.44 92.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 50.01 111.15 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -24.96 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.836 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -71.68 -28.32 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.05 110.804 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.823 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 73.13 110.852 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.84 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.866 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.072 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.64 33.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 65.32 112.48 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.74 81.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 64.54 111.096 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.99 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.084 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.06 -46.96 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 61.05 111.118 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.0 76.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.02 111.111 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.95 -36.06 57.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 74.41 112.498 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 61.14 111.106 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.51 -54.3 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.105 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.57 -40.09 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 35.23 111.129 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 52.25 112.487 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.36 21.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 33.01 112.497 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.34 69.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 75.31 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.88 -40.45 84.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 74.23 112.508 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.88 78.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 74.31 112.456 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 72.52 110.948 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.28 -60.69 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.03 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -25.78 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.31 8.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 60.43 112.457 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.74 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 65.44 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.49 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.147 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.89 42.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -73.01 -32.39 65.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.838 0.351 . . . . 74.55 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.538 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.23 -28.18 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.855 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.538 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -70.87 -39.74 72.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.05 30.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 52.44 112.459 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.78 -36.71 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 70.45 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.09 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.173 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.9 -47.07 76.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.074 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.17 -37.05 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 64.53 111.122 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.16 56.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 75.24 112.454 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 74.34 111.13 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.53 -54.25 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 64.51 111.126 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.2 t -61.39 -40.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.165 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.37 -32.31 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 64.21 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.38 21.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 73.33 112.496 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.35 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 53.03 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.34 84.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 64.04 112.489 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.95 78.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.45 112.48 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -59.92 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 65.11 110.96 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.3 -60.71 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.82 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -53.35 8.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.718 . . . . 54.45 112.489 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -28.78 61.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 74.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.46 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.106 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -26.77 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -73.05 -32.31 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 64.53 110.872 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 70.14 110.842 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.851 0.358 . . . . 74.43 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.533 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.932 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.533 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.2 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.131 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.68 33.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 43.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.64 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.337 . . . . 70.51 111.088 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.98 71.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.088 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.08 -46.91 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.106 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.06 76.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.076 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.02 57.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.527 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.25 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 52.12 111.077 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.47 -54.32 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 64.04 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.58 -40.06 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.158 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 74.02 112.537 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.47 20.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 72.34 112.493 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.32 69.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 75.21 110.944 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.35 84.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 40.11 112.483 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.85 77.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 51.31 112.442 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.16 -59.9 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 73.54 110.91 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.9 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -25.79 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.45 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.4 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 63.01 112.477 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.8 61.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 61.05 110.858 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.106 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.39 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 61.11 110.846 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 75.14 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.82 -31.82 73.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.828 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.62 -38.13 70.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.141 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.69 32.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 71.24 112.502 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 73.41 111.09 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.98 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.01 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 75.1 111.094 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.58 -37.02 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 54.44 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.98 -36.02 57.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.777 . . . . 72.42 112.523 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 43.24 111.14 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.5 -54.26 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 54.11 111.156 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.56 -40.05 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 62.11 111.179 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.711 -0.757 . . . . 72.42 112.507 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.39 21.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.34 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.34 110.945 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.38 84.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.512 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 51.12 112.488 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.04 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 73.42 110.959 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.7 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -25.82 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 61.24 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -53.35 8.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 72.53 112.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.44 -28.74 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.378 . . . . 71.45 110.859 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.44 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.31 111.068 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtm -79.14 -26.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.36 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 44.42 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.876 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 75.2 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.559 ' HE3' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.95 -31.76 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.853 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.559 ' HB2' ' HE3' ' A' ' 3' ' ' MET . . . -71.69 -38.12 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 71.25 111.104 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.38 -46.59 32.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.474 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 72.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -41.0 71.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.056 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.97 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 71.4 111.115 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.22 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.93 -36.08 57.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 33.12 112.512 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.19 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 53.21 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.46 -54.32 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 61.5 111.107 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.05 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.168 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 44.13 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.34 21.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 34.25 112.54 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.3 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 65.12 110.891 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.34 84.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 55.13 112.464 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.85 77.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 53.4 112.515 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 72.41 110.913 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.76 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.21 110.86 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -25.85 67.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.931 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.4 8.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.77 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 72.21 110.832 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.55 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 65.33 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtt -79.09 -26.81 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -73.07 -32.32 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 54.3 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.15 110.846 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.806 0.336 . . . . 64.41 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.74 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.9 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.74 -38.09 70.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.2 111.114 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.69 32.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.22 112.477 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.62 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 74.33 111.092 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.98 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.13 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.02 75.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 65.4 111.066 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.03 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.45 111.098 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.14 57.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 62.05 112.504 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.19 72.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 74.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.28 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.108 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.56 -40.13 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 52.22 111.107 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.15 83.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 61.45 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.35 21.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 62.41 112.524 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.32 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 62.11 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.4 84.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 53.54 112.476 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.91 78.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 72.4 110.945 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.76 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -25.82 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 54.44 110.923 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.51 8.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 32.43 112.488 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -28.74 61.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.44 110.835 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.28 87.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.124 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -27.14 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.873 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.1 p -73.03 -32.29 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.838 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.0 t60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.78 0.324 . . . . 73.45 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.524 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.86 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.19 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.108 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.63 33.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.69 81.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 41.2 111.061 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.05 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 55.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.94 76.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.02 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.11 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -36.09 57.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 40.15 112.479 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.25 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 52.12 111.083 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.5 -54.34 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.54 111.096 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.54 -40.06 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.161 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.33 -32.21 83.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 72.44 112.516 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.44 20.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 63.5 112.456 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 74.14 110.91 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.4 84.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 31.15 112.505 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.9 77.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 72.44 112.421 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -60.01 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 61.13 110.918 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.13 -60.83 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 64.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -25.78 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.67 -53.37 8.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.442 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.76 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 71.34 110.88 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.33 111.119 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -73.02 -32.37 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 63.31 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.879 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.6 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.829 0.347 . . . . 73.32 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.525 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.93 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 54.05 110.826 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.525 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.1 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 65.04 111.114 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.66 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 72.34 112.468 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.64 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 75.25 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.08 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.089 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.94 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 54.43 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.11 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 73.32 111.082 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.08 57.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 65.55 112.435 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 73.41 111.088 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.51 -54.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 53.04 111.163 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.131 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.25 83.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 61.14 112.481 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.46 20.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 54.44 112.488 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.49 -41.37 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.13 110.943 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.41 84.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 54.32 112.481 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.91 78.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.481 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -60.01 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 70.24 110.937 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.18 -60.72 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 61.15 110.903 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -25.73 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.906 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.39 8.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 62.35 112.507 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.72 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 34.41 110.906 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.48 86.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.093 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -26.88 42.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -73.01 -32.34 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 73.5 110.858 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.798 0.332 . . . . 75.13 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.78 72.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.885 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.09 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 44.44 111.156 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.31 -46.69 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.64 81.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 74.31 111.107 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.98 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 44.21 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.692 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -46.91 76.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.115 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.63 -37.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.12 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.04 57.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 52.25 112.528 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 74.43 111.077 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.1 m -65.54 -54.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 63.51 111.134 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.62 -40.02 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.132 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.23 83.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 70.43 112.46 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.48 -50.38 21.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.504 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.32 69.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 71.25 110.935 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.92 -40.42 84.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 31.12 112.474 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.87 77.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 64.1 112.479 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.91 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 72.52 110.941 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.29 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 72.13 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -25.81 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.35 8.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.33 112.5 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.77 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 73.22 110.816 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.079 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtm -79.15 -26.87 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 65.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -32.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.903 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 61.23 110.901 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.3 p80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.843 0.354 . . . . 72.03 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.523 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.83 -31.83 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.879 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.523 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.2 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.039 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.69 33.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 32.12 112.514 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.71 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 70.02 111.106 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.07 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.052 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.99 -47.01 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.14 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 60.34 111.123 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.1 57.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 51.22 112.477 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.19 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 73.04 111.108 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 64.44 111.137 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.6 -40.09 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 70.15 111.116 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 61.2 112.49 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 65.41 112.482 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.3 69.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 75.44 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.4 84.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 52.13 112.475 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.88 77.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 55.1 112.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.01 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.931 0.396 . . . . 75.52 110.99 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.77 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 72.31 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -25.8 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.931 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.38 8.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 51.15 112.503 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -28.78 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.34 110.848 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.51 86.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 54.5 111.128 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.84 42.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.891 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -73.06 -32.32 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.1 110.838 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.876 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.793 0.33 . . . . 75.21 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.8 -31.86 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.42 110.861 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.15 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 24.12 111.105 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.72 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 73.34 112.446 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 64.35 111.105 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.04 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.111 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.09 -46.89 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.105 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.03 76.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.0 -35.97 57.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 74.3 112.502 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.21 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 65.13 111.128 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.52 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 51.35 111.1 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.59 -40.06 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 72.44 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 50.11 112.506 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.46 20.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.8 -0.714 . . . . 72.24 112.457 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.58 -41.32 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 72.34 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.01 -40.33 84.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.481 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.89 78.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 44.14 112.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.12 -59.9 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 60.32 110.915 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.24 -60.72 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.82 -25.79 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.42 8.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 64.52 112.464 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.79 61.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 65.25 110.851 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.49 86.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 74.23 111.074 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.857 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 t -73.0 -32.36 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.33 110.859 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.855 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.782 0.325 . . . . 71.5 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.84 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.848 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.71 -38.1 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.44 111.109 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.68 32.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 52.14 112.514 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.81 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 64.54 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.04 72.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.94 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 71.54 111.119 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.07 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.089 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.06 57.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 70.22 112.456 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 50.31 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.46 -54.3 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.16 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.56 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.55 -40.13 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.069 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.27 83.62 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 44.44 112.511 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.37 21.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 74.5 112.477 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.35 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 75.31 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.35 84.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 43.55 112.456 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.86 77.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 70.32 112.514 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.97 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 65.2 110.905 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.16 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.03 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.76 -25.84 67.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.936 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.4 8.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 44.55 112.494 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.78 61.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 60.14 110.862 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 72.12 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.3 mtt -79.09 -26.81 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.06 -32.31 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.838 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.884 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.329 . . . . 74.43 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.79 72.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.827 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 60.35 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.64 32.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 30.12 112.469 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 43.4 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.01 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.11 75.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.32 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.1 -37.01 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 54.44 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.17 -36.11 56.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 41.24 112.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 71.35 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.1 m -65.56 -54.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.091 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.566 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.5 t -61.38 -40.1 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.24 83.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.517 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.38 20.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 71.23 112.48 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.37 69.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 75.33 110.944 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.35 84.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.494 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.94 78.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 44.45 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.96 2.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 73.25 110.926 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.23 -60.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 63.01 110.915 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -25.76 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.36 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 51.13 112.504 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.78 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.21 110.839 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.83 42.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.822 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.331 . . . . 71.43 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.51 110.913 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.14 111.115 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.64 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 60.13 112.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.7 81.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 51.21 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.02 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 52.42 111.107 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.04 75.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.18 -37.01 77.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 43.02 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.19 -36.18 56.38 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 52.22 112.457 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.5 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 71.22 111.083 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.4 m -65.48 -54.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.137 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.4 t -61.4 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.099 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.26 83.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.512 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.42 20.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 72.31 112.44 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.54 -41.34 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 65.15 110.907 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.4 84.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 54.41 112.523 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.92 78.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 75.13 112.497 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.07 -59.94 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.23 110.926 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.26 -60.78 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.85 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.87 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.917 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.37 8.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 73.35 112.486 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -28.76 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 54.04 110.857 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.53 87.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 54.32 111.108 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -26.81 42.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.849 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -73.08 -32.34 64.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 52.24 110.819 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.882 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.76 0.314 . . . . 74.45 110.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.75 -31.85 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 53.14 111.077 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.27 -46.68 33.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 71.13 112.478 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 65.34 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.01 71.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.96 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.07 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.045 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.1 57.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 52.14 112.472 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 71.15 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.49 -54.27 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.174 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.56 -40.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.149 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 74.44 112.503 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.41 -50.49 20.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.812 -0.708 . . . . 63.33 112.486 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.5 -41.37 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 62.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.41 84.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.479 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.9 78.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 64.12 112.512 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.0 -59.95 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 64.22 110.964 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.77 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 65.51 110.862 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.36 8.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 74.52 112.542 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.77 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 64.03 110.893 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.51 86.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 55.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -72.99 -32.38 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.848 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.848 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.79 0.329 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.85 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.0 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.61 -46.9 36.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 64.25 112.533 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.54 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 64.25 111.085 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.98 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.02 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.111 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.51 -37.13 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 40.53 111.085 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.1 57.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.504 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.24 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 40.44 111.064 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.53 -54.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.153 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.65 -40.06 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.33 111.109 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.2 83.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 71.35 112.504 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.45 20.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.466 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 73.53 110.948 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.36 84.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 74.14 112.484 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.39 -31.9 78.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 11.34 112.502 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 53.44 110.934 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.21 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.928 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -25.85 67.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 51.2 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -53.32 8.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.31 112.518 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -28.75 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.41 110.859 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.47 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 54.12 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -26.89 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.861 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -72.96 -32.36 65.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.851 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 61.44 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.747 0.308 . . . . 65.32 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.91 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.909 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.522 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.2 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.67 33.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 43.45 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 62.12 111.112 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.02 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 54.42 111.088 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.03 75.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 60.04 111.095 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.57 -37.08 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 52.45 111.111 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.11 57.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 24.11 112.483 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -43.23 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 41.31 111.136 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.54 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.09 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.57 -40.1 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.469 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.39 21.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 43.31 112.499 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.4 69.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.24 110.926 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.37 84.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 73.22 112.512 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.81 77.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 74.32 112.472 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.16 -59.86 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 75.31 110.94 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.82 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.34 110.83 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -25.47 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.95 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.76 -53.37 8.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 53.13 112.546 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -29.1 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 64.21 110.827 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.26 86.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.3 ttp -79.21 -26.83 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.16 -32.37 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 53.22 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.21 110.868 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.797 0.332 . . . . 73.31 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.528 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.79 72.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.891 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.528 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.17 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 51.22 111.124 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.67 32.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 53.13 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.78 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 72.42 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.08 71.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 43.43 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.97 -46.95 76.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 53.32 111.121 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.61 -37.1 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.082 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.09 57.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 54.31 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 64.24 111.055 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.48 -54.33 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.2 111.115 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.06 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.095 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 53.33 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.38 21.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.502 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.0 OUTLIER -71.53 -41.38 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 70.03 110.932 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.28 84.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.467 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.01 78.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 33.43 112.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -59.99 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 72.1 110.966 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 75.25 110.899 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -25.32 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.81 -53.4 8.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 64.31 112.508 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.39 61.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 70.24 110.802 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.32 86.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 61.35 111.098 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -79.14 -27.15 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -73.01 -32.36 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 61.21 110.877 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.41 110.863 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 m170 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 73.11 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.8 85.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.99 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 63.25 111.057 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -46.98 36.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 61.44 112.44 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.57 81.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 72.01 111.107 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.0 72.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 71.52 111.064 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.11 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 51.12 111.091 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.16 -37.0 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -36.21 56.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 64.42 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.47 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 64.45 111.105 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.5 -54.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.12 111.117 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.0 t -61.37 -40.04 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.32 111.105 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.33 83.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 72.23 112.455 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.38 21.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 74.44 112.475 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 71.22 110.931 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.84 -40.42 84.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.508 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.92 78.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.452 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -60.0 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 73.12 110.906 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.83 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.911 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.05 -25.41 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.71 -53.48 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 61.03 112.511 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.17 61.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 53.24 110.863 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.29 86.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 60.25 111.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ttm -79.17 -26.82 42.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.08 -32.48 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 53.44 110.842 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 61.15 110.891 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 74.45 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.66 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.832 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.73 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 52.54 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.7 32.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.441 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.747 0.308 . . . . 72.01 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.02 71.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 65.43 111.128 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.95 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.093 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.08 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 44.21 111.059 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.07 57.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 64.32 112.487 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.18 72.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 64.35 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.56 -54.27 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 64.54 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.04 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.13 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 40.3 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.44 112.467 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.29 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 50.55 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.98 -40.41 84.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 64.52 112.477 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 74.41 112.464 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.41 110.946 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.63 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -26.13 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 43.54 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.42 -53.51 8.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 70.2 112.509 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -30.24 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 52.11 110.823 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.44 92.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 50.01 111.15 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -24.96 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.836 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -71.68 -28.32 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.05 110.804 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.823 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.801 0.334 . . . . 71.33 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.96 0.59 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.852 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.84 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.866 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.072 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.64 33.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 65.32 112.48 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.74 81.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 64.54 111.096 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.99 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.084 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.06 -46.96 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 61.05 111.118 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.0 76.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.02 111.111 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.95 -36.06 57.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 74.41 112.498 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 61.14 111.106 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.51 -54.3 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.105 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.564 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.57 -40.09 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 35.23 111.129 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.41 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 52.25 112.487 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.36 21.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 33.01 112.497 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.34 69.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 75.31 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.88 -40.45 84.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 74.23 112.508 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.88 78.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 74.31 112.456 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 72.52 110.948 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.28 -60.69 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.03 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -25.78 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.31 8.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 60.43 112.457 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.74 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 65.44 110.83 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.49 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.147 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.89 42.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.895 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -73.01 -32.39 65.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.863 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 71.34 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.9 0.46 13.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.9 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.538 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.23 -28.18 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.855 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.538 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -70.87 -39.74 72.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.078 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.91 -46.05 30.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 52.44 112.459 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.78 -36.71 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 70.45 111.12 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.09 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.173 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.9 -47.07 76.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.074 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.17 -37.05 77.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 64.53 111.122 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -36.16 56.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 75.24 112.454 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 74.34 111.13 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.53 -54.25 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 64.51 111.126 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.2 t -61.39 -40.09 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.165 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.37 -32.31 83.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 64.21 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.38 21.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 73.33 112.496 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.35 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 53.03 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.34 84.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 64.04 112.489 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.95 78.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.45 112.48 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -59.92 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 65.11 110.96 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.3 -60.71 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -25.82 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.921 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -53.35 8.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.793 -0.718 . . . . 54.45 112.489 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -28.78 61.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 74.03 110.859 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.46 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.106 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -26.77 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -73.05 -32.31 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 64.53 110.872 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 70.14 110.842 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.809 0.338 . . . . 72.15 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -74.0 0.68 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.533 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.932 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.533 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.2 70.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.131 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.68 33.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 43.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.64 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.337 . . . . 70.51 111.088 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.98 71.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.088 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.08 -46.91 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.106 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.06 76.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.076 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.02 57.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 74.42 112.527 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.25 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 52.12 111.077 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.47 -54.32 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 64.04 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.58 -40.06 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 55.13 111.158 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 74.02 112.537 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.47 20.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 72.34 112.493 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.32 69.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 75.21 110.944 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.35 84.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 40.11 112.483 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.85 77.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 51.31 112.442 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -71.16 -59.9 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.841 0.353 . . . . 73.54 110.91 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.9 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -25.79 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 63.45 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.4 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 63.01 112.477 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.8 61.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 61.05 110.858 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.45 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.106 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.896 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.39 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 61.11 110.846 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.854 0.359 . . . . 64.51 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -73.97 0.64 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.867 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.82 -31.82 73.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.828 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.62 -38.13 70.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.141 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.69 32.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 71.24 112.502 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 73.41 111.09 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.98 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.01 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 75.1 111.094 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.58 -37.02 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 54.44 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.98 -36.02 57.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.777 . . . . 72.42 112.523 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 43.24 111.14 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.5 -54.26 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 54.11 111.156 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.56 -40.05 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 62.11 111.179 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.711 -0.757 . . . . 72.42 112.507 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.39 21.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.34 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 64.34 110.945 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.38 84.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.512 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 51.12 112.488 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.04 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 73.42 110.959 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.7 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -25.82 67.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 61.24 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.7 -53.35 8.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 72.53 112.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.44 -28.74 61.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.378 . . . . 71.45 110.859 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.44 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.31 111.068 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtm -79.14 -26.78 42.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -73.04 -32.36 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 44.42 110.878 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.876 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.2 tttp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.852 0.358 . . . . 74.04 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -73.91 0.59 12.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 75.2 110.88 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.516 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.95 -31.76 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.853 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.69 -38.12 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 71.25 111.104 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.38 -46.59 32.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.474 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 72.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -41.0 71.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.056 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.97 75.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 71.4 111.115 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 74.22 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.93 -36.08 57.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 33.12 112.512 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -43.19 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 53.21 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.46 -54.32 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 61.5 111.107 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.05 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.168 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 44.13 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.34 21.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 34.25 112.54 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.3 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 65.12 110.891 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.0 -40.34 84.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 55.13 112.464 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.85 77.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 53.4 112.515 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 72.41 110.913 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.76 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 72.21 110.86 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -25.85 67.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.931 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.4 8.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.77 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 72.21 110.832 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.55 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 65.33 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtt -79.09 -26.81 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -73.07 -32.32 64.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 54.3 110.87 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.15 110.846 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 tttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 75.13 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -73.98 0.63 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 64.41 110.867 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.74 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.15 110.9 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.74 -38.09 70.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 64.2 111.114 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.69 32.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 75.22 112.477 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.62 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.756 0.312 . . . . 74.33 111.092 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.98 71.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.13 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.02 75.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 65.4 111.066 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.03 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.45 111.098 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.14 57.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 62.05 112.504 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.19 72.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 74.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.28 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 71.22 111.108 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.56 -40.13 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 52.22 111.107 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.15 83.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 61.45 112.498 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.35 21.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 62.41 112.524 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.59 -41.32 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 62.11 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.4 84.42 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.704 -0.76 . . . . 53.54 112.476 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.91 78.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 72.4 110.945 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.76 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -25.82 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 54.44 110.923 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.51 8.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 32.43 112.488 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -28.74 61.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.44 110.835 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.28 87.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.124 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -27.14 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.873 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.1 p -73.03 -32.29 65.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.838 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.772 0.32 . . . . 72.13 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -74.07 0.67 13.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.45 110.827 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.524 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.86 -31.8 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.854 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.19 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 72.3 111.108 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.63 33.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.518 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.69 81.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 41.2 111.061 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.05 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 55.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.94 76.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.02 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.11 111.093 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.96 -36.09 57.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 40.15 112.479 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.25 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 52.12 111.083 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.5 -54.34 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.54 111.096 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.54 -40.06 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.161 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.33 -32.21 83.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 72.44 112.516 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.5 -50.44 20.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 63.5 112.456 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 74.14 110.91 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.4 84.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 31.15 112.505 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.9 77.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 72.44 112.421 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.05 -60.01 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.875 0.369 . . . . 61.13 110.918 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.13 -60.83 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 64.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -25.78 67.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.951 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.67 -53.37 8.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.442 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.76 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 71.34 110.88 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.5 86.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 74.33 111.119 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.13 -26.81 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -73.02 -32.37 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 63.31 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.879 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.8 0.334 . . . . 64.43 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -74.04 0.65 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.85 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.525 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.93 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 54.05 110.826 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.525 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.1 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 65.04 111.114 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.66 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 72.34 112.468 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.64 81.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 75.25 111.111 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.08 71.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 73.21 111.089 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.94 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 54.43 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.11 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 73.32 111.082 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.08 57.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 65.55 112.435 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 73.41 111.088 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.4 m -65.51 -54.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 53.04 111.163 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.08 85.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.131 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.25 83.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 61.14 112.481 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.42 -50.46 20.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 54.44 112.488 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.49 -41.37 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 73.13 110.943 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.41 84.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 54.32 112.481 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.91 78.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 63.44 112.481 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.03 -60.01 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 70.24 110.937 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.18 -60.72 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 61.15 110.903 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.85 -25.73 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.906 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.39 8.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 62.35 112.507 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.72 61.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 34.41 110.906 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.48 86.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.093 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -26.88 42.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.843 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -73.01 -32.34 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 73.1 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 73.5 110.858 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.23 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -74.0 0.64 12.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 75.13 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.77 -31.78 72.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.885 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.09 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 44.44 111.156 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.31 -46.69 32.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.64 81.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 74.31 111.107 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.94 -40.98 71.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 44.21 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -46.91 76.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.115 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.63 -37.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 64.12 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.04 57.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 52.25 112.528 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 74.43 111.077 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.1 m -65.54 -54.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 63.51 111.134 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.62 -40.02 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.132 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.23 83.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 70.43 112.46 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.48 -50.38 21.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.504 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.32 69.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 71.25 110.935 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.92 -40.42 84.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 31.12 112.474 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.87 77.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 64.1 112.479 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.91 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 72.52 110.941 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.29 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 72.13 110.82 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -25.81 67.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.61 -53.35 8.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.33 112.5 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -28.77 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 73.22 110.816 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.079 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtm -79.15 -26.87 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 65.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -32.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.903 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 61.23 110.901 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 tttp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.862 0.363 . . . . 53.21 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -73.97 0.67 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.912 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.523 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.83 -31.83 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.879 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.523 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.67 -38.2 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.039 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.25 -46.69 33.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 32.12 112.514 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.71 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 70.02 111.106 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.07 71.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.052 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.99 -47.01 75.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 73.14 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 60.34 111.123 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.1 57.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 51.22 112.477 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.19 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 73.04 111.108 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.54 -54.2 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 64.44 111.137 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.6 -40.09 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 70.15 111.116 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.34 -32.2 83.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 61.2 112.49 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 65.41 112.482 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.3 69.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 75.44 110.943 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.4 84.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 52.13 112.475 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.42 -31.88 77.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 55.1 112.475 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.01 -59.94 2.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.931 0.396 . . . . 75.52 110.99 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.22 -60.77 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 72.31 110.864 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -25.8 67.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.931 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.38 8.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 51.15 112.503 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -28.78 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.34 110.848 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.51 86.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 54.5 111.128 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -26.84 42.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.891 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -73.06 -32.32 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.1 110.838 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.876 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.844 0.354 . . . . 71.51 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -73.98 0.61 13.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.867 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.8 -31.86 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.42 110.861 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.15 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 24.12 111.105 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.72 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 73.34 112.446 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.811 0.339 . . . . 64.35 111.105 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.04 71.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.111 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.09 -46.89 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.105 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.03 76.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.0 -35.97 57.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 74.3 112.502 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.03 -43.21 71.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 65.13 111.128 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.52 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 51.35 111.1 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.59 -40.06 85.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 72.44 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.32 -32.26 83.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 50.11 112.506 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.46 20.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.8 -0.714 . . . . 72.24 112.457 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.58 -41.32 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 72.34 110.879 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.01 -40.33 84.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 72.23 112.481 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.89 78.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 44.14 112.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.12 -59.9 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 60.32 110.915 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.24 -60.72 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.82 -25.79 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.884 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.62 -53.42 8.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 64.52 112.464 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -28.79 61.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 65.25 110.851 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.49 86.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 74.23 111.074 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.857 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 t -73.0 -32.36 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 54.33 110.859 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.855 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 pttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.855 0.359 . . . . 74.42 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -73.97 0.67 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 71.5 110.864 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.84 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.848 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.71 -38.1 70.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 71.44 111.109 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.29 -46.68 32.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 52.14 112.514 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.81 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 64.54 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -41.04 72.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.53 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.03 -46.94 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 71.54 111.119 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.62 -37.07 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.089 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.06 57.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 70.22 112.456 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.24 71.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 50.31 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.46 -54.3 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.16 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.9 t -61.55 -40.13 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.069 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.27 83.62 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 44.44 112.511 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.37 21.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 74.5 112.477 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.57 -41.35 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.838 0.351 . . . . 75.31 110.888 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.97 -40.35 84.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 43.55 112.456 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.86 77.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 70.32 112.514 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.97 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 65.2 110.905 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.16 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 64.03 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.76 -25.84 67.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.936 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.4 8.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 44.55 112.494 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -28.78 61.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 60.14 110.862 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.48 86.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 72.12 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.3 mtt -79.09 -26.81 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.06 -32.31 64.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.838 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.884 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.3 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 74.23 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -73.99 0.57 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 74.43 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.53 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.79 -31.79 72.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.827 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 60.35 111.111 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.64 32.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 30.12 112.469 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 43.4 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.01 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.11 75.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.32 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.1 -37.01 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 54.44 111.117 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.17 -36.11 56.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 41.24 112.477 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.51 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 71.35 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.1 m -65.56 -54.34 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.091 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.566 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.5 t -61.38 -40.1 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.107 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.24 83.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.517 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.49 -50.38 20.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 71.23 112.48 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.37 69.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 75.33 110.944 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.35 84.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.494 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.94 78.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.724 . . . . 44.45 112.475 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.08 -59.96 2.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 73.25 110.926 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.23 -60.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 63.01 110.915 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -25.76 67.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.928 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.66 -53.36 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 51.13 112.504 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -28.78 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.21 110.839 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.42 86.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 62.44 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.83 42.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -73.01 -32.4 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.822 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.5 pttm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.816 0.341 . . . . 74.24 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -74.0 0.65 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 71.43 110.823 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.532 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.78 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.51 110.913 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.66 -38.14 70.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.14 111.115 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.64 33.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 60.13 112.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.46 -36.7 81.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 51.21 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.02 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 52.42 111.107 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.729 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.07 -47.04 75.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.18 -37.01 77.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 43.02 111.058 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.19 -36.18 56.38 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 52.22 112.457 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.5 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 71.22 111.083 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.4 m -65.48 -54.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 72.11 111.137 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.4 t -61.4 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 72.11 111.099 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.26 83.62 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.512 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -50.42 20.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 72.31 112.44 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.54 -41.34 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 65.15 110.907 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.91 -40.4 84.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 54.41 112.523 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.38 -31.92 78.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 75.13 112.497 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.07 -59.94 2.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 74.23 110.926 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.26 -60.78 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.85 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.87 67.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.917 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.37 8.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 73.35 112.486 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.47 -28.76 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 54.04 110.857 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.53 87.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 54.32 111.108 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.11 -26.81 42.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.849 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -73.08 -32.34 64.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 52.24 110.819 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.882 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 74.11 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.95 0.52 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.855 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.75 -31.85 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.859 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.65 -38.19 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 53.14 111.077 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.27 -46.68 33.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 71.13 112.478 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.71 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 65.34 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.01 71.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.694 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.04 -46.96 75.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 72.34 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.6 -37.07 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.045 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.94 -36.1 57.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 52.14 112.472 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -43.26 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 71.15 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.49 -54.27 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.174 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.56 -40.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.149 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 74.44 112.503 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.41 -50.49 20.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.812 -0.708 . . . . 63.33 112.486 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.5 -41.37 69.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 62.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.96 -40.41 84.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.479 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.9 78.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 64.12 112.512 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.0 -59.95 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 64.22 110.964 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.77 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 65.51 110.862 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.36 8.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 74.52 112.542 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.77 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 64.03 110.893 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.51 86.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 55.31 111.082 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -26.9 43.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 62.51 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -72.99 -32.38 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.848 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.52 110.848 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.812 0.339 . . . . 70.3 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -74.06 0.74 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -37.85 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.0 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.61 -46.9 36.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 64.25 112.533 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.54 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 64.25 111.085 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.98 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.02 75.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.111 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.51 -37.13 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 40.53 111.085 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.91 -36.1 57.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.504 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.24 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 40.44 111.064 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.2 m -65.53 -54.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.41 111.153 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.0 t -61.65 -40.06 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 75.33 111.109 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.2 83.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 71.35 112.504 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.45 20.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 64.14 112.466 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.53 -41.33 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 73.53 110.948 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.94 -40.36 84.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 74.14 112.484 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.39 -31.9 78.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 11.34 112.502 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.97 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 53.44 110.934 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.21 -60.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.928 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.76 -25.85 67.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 51.2 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.63 -53.32 8.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.31 112.518 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -28.75 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.41 110.859 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.47 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 54.12 111.093 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -26.89 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.861 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -72.96 -32.36 65.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.851 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 61.44 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.5 pttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.809 0.338 . . . . 71.4 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.01 0.69 12.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.843 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.522 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.91 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.909 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.522 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.61 -38.2 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.076 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.67 33.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 43.45 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.67 81.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 62.12 111.112 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.02 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 54.42 111.088 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.02 -47.03 75.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 60.04 111.095 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.57 -37.08 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 52.45 111.111 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.11 57.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 24.11 112.483 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -43.23 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 41.31 111.136 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.54 -54.29 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.09 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.6 t -61.57 -40.1 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.22 83.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.469 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.44 -50.39 21.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 43.31 112.499 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.55 -41.4 69.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.24 110.926 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.37 84.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 73.22 112.512 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.81 77.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 74.32 112.472 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.16 -59.86 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 75.31 110.94 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.82 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.34 110.83 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -25.47 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.95 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.76 -53.37 8.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 53.13 112.546 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -29.1 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 64.21 110.827 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.26 86.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.3 ttp -79.21 -26.83 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.899 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -73.16 -32.37 64.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 53.22 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.21 110.868 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 61.42 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 0.53 13.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.892 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.528 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.74 -31.79 72.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.891 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.528 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.64 -38.17 70.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 51.22 111.124 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 -46.67 32.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 53.13 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.78 82.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 72.42 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.08 71.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 43.43 111.122 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -65.97 -46.95 76.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 53.32 111.121 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.61 -37.1 76.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.082 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.9 -36.09 57.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 54.31 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.04 -43.19 71.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 64.24 111.055 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.3 m -65.48 -54.33 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.2 111.115 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 61.8 t -61.52 -40.06 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.095 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.22 83.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 53.33 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.38 21.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.502 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.0 OUTLIER -71.53 -41.38 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 70.03 110.932 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.85 -40.28 84.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 72.23 112.467 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.01 78.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 33.43 112.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -59.99 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 72.1 110.966 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.34 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 75.25 110.899 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -25.32 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.942 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.81 -53.4 8.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 64.31 112.508 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.39 61.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 70.24 110.802 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.32 86.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 61.35 111.098 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -79.14 -27.15 42.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.886 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -73.01 -32.36 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 61.21 110.877 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.41 110.863 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.802 0.334 . . . . 61.11 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -73.91 0.52 13.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.915 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.8 85.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.99 71.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 63.25 111.057 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -46.98 36.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 61.44 112.44 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.57 81.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 72.01 111.107 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.0 72.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 71.52 111.064 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.17 -47.11 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 51.12 111.091 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.16 -37.0 78.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -36.21 56.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 64.42 112.504 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -43.47 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 64.45 111.105 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ALA . 7.2 m -65.5 -54.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.12 111.117 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.0 t -61.37 -40.04 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.32 111.105 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.33 83.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 72.23 112.455 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.43 -50.38 21.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 74.44 112.475 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.52 -41.39 69.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 71.22 110.931 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.84 -40.42 84.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.508 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.37 -31.92 78.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 75.15 112.452 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.02 -60.0 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 73.12 110.906 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.2 -60.83 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.911 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.05 -25.41 67.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.71 -53.48 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 61.03 112.511 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.17 61.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 53.24 110.863 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.29 86.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 60.25 111.087 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ttm -79.17 -26.82 42.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -73.08 -32.48 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 53.44 110.842 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.492 . . . . 61.15 110.891 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 pttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.833 0.349 . . . . 74.21 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -73.98 0.61 13.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.839 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.535 ' CE ' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -65.87 -31.66 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.832 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' CE ' ' A' ' 3' ' ' MET . . . -71.73 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 52.54 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.7 32.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.33 112.441 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.7 81.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.747 0.308 . . . . 72.01 111.109 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.9 -41.02 71.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 65.43 111.128 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -66.01 -46.95 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.093 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -69.64 -37.08 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 44.21 111.059 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.92 -36.07 57.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 64.32 112.487 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.18 72.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 64.35 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 8' ' ' ALA . 9.0 m -65.56 -54.27 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 64.54 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' H ' HG23 ' A' ' 12' ' ' VAL . 62.1 t -61.61 -40.04 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.13 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.36 -32.23 83.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 40.3 112.494 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.46 -50.44 20.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.44 112.467 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' O ' ' HG2' ' A' ' 20' ' ' MET . 1.1 pp -71.56 -41.29 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 50.55 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.98 -40.41 84.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 64.52 112.477 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.36 -31.92 78.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 74.41 112.464 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -71.06 -59.96 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.41 110.946 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 6.1 ptp -52.27 -60.63 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.89 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -26.13 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 43.54 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.42 -53.51 8.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 70.2 112.509 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -30.24 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 52.11 110.823 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.44 92.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 50.01 111.15 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -24.96 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.836 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -71.68 -28.32 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.05 110.804 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.823 -179.908 . . . . . . . . 0 0 . 1 stop_ save_