data_1fmh_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 1fmh _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 1.061 ' HB3' ' HG3' ' A' ' 4' ' ' GLN . 14.4 tp10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.555 0.217 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.574 HG11 HD13 ' B' ' 5' ' ' LEU . 32.1 t -57.15 -49.11 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.43 76.78 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 1.061 ' HG3' ' HB3' ' A' ' 1' ' ' GLU . 37.9 mt-30 -63.75 -46.91 83.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.118 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.644 HD13 HG12 ' B' ' 2' ' ' VAL . 89.3 mt -64.25 -37.83 88.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.615 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -64.29 -40.96 97.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.848 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -72.23 -23.48 61.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 109.714 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.13 -42.5 26.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.79 -43.15 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.18 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.833 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.73 -50.62 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.681 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -63.13 -44.36 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.744 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -58.55 -43.38 89.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.545 0.528 . . . . 0.0 111.093 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.36 86.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.734 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 98.4 mt-10 -66.01 -50.13 65.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.76 -48.03 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.934 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.756 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 51.1 t80 -55.8 -43.45 76.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.773 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.88 -41.65 67.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.918 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 19.7 mt -57.41 -47.29 82.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.214 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.19 -34.95 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.756 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 91.3 mm-40 -66.87 -46.13 75.94 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.272 0.558 . . . . 0.0 109.662 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.35 -44.19 79.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.43 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' B' ' 22' ' ' LYS . 33.2 t -60.58 -47.46 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.32 87.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.054 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.61 -51.26 58.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.685 ' HB2' HD11 ' B' ' 26' ' ' LEU . 86.1 mt -58.83 -39.42 81.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HG2' HD12 ' B' ' 26' ' ' LEU . 38.5 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 0.0 110.42 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.967 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 6.9 tp10 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.644 HG12 HD13 ' A' ' 5' ' ' LEU . 42.5 t -57.26 -53.89 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.18 -38.61 73.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.468 . . . . 0.0 110.431 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.967 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -65.1 -49.14 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.229 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.574 HD13 HG11 ' A' ' 2' ' ' VAL . 97.1 mt -63.89 -34.38 77.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -67.75 -30.45 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -65.73 -45.18 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 5' ' ' LEU . 74.2 t -60.07 -47.89 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.155 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 97.8 mm-40 -63.25 -40.84 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.373 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.43 92.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 109.747 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 12' ' ' ALA . 36.1 mt -63.53 -51.86 63.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.282 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -37.77 71.06 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.286 0.366 . . . . 0.0 111.052 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.83 97.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.841 0.353 . . . . 0.0 110.336 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -74.44 -37.61 63.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.951 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.18 -45.18 89.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.507 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -44.58 92.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.268 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.8 71.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -63.49 -43.72 96.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.581 ' HG3' HD12 ' A' ' 19' ' ' LEU . 92.8 mttt -56.68 -46.25 81.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 110.483 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -62.31 -38.84 90.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.567 ' HB3' HG23 ' A' ' 23' ' ' VAL . 3.2 mmmm -62.49 -48.43 79.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.36 -48.31 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.673 0.273 . . . . 0.0 111.314 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.82 -30.6 68.15 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.999 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.77 75.95 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 26' ' ' LEU . 96.8 mt -69.75 -32.99 71.82 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.293 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.45 -27.52 66.25 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.703 0.763 . . . . 0.0 109.165 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -80.37 -42.5 22.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.771 0.795 . . . . 0.0 108.968 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.244 -179.079 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.545 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 41.3 tp10 . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.622 0.248 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.425 HG21 ' CG2' ' B' ' 2' ' ' VAL . 18.4 t -54.28 -53.25 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.58 -38.15 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.545 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.3 mm100 -63.99 -48.2 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.325 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 5' ' ' LEU . 91.4 mt -65.06 -36.46 84.42 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.531 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.76 -42.12 92.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.23 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -67.05 -33.82 76.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.36 0.6 . . . . 0.0 109.888 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.89 -42.67 60.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.693 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' B' ' 8' ' ' ARG . 55.6 t -63.65 -44.39 98.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.53 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.541 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -66.04 -53.61 36.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.645 0.736 . . . . 0.0 109.113 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -64.85 -43.89 91.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.722 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.676 ' HG2' HD12 ' B' ' 12' ' ' LEU . 18.2 mm-40 -57.39 -47.47 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.18 0.3 . . . . 0.0 111.445 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.719 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 93.0 mt-10 -65.47 -49.76 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.103 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -52.35 -45.55 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.29 -40.77 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.799 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -73.42 -39.69 64.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.303 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 13.4 mt -62.75 -48.57 78.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.71 -37.18 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.702 0.287 . . . . 0.0 110.253 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.85 -45.15 93.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.99 -45.12 78.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.371 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' B' ' 22' ' ' LYS . 36.4 t -56.61 -44.38 80.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.283 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.65 95.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.12 -50.55 72.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.55 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mt -62.51 -47.11 85.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.633 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.88 ' HG2' HD12 ' B' ' 26' ' ' LEU . 6.6 mm-40 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.376 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 54.8 t -55.87 -50.28 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.429 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -62.09 -37.36 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.39 98.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.547 ' HB2' HD11 ' A' ' 5' ' ' LEU . 85.3 mt -69.95 -31.95 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.23 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.3 mtpt -61.46 -39.24 90.15 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.7 -35.06 79.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 9' ' ' VAL . 15.7 tpt85 -64.62 -46.15 83.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.523 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 91.9 t -57.45 -50.37 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.643 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.0 -40.94 90.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.36 77.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.676 HD12 ' HG2' ' A' ' 13' ' ' GLU . 41.2 mt -63.18 -52.57 61.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.248 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.523 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.3 mptp? -56.95 -36.37 70.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.054 0.221 . . . . 0.0 110.576 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.07 99.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.231 0.538 . . . . 0.0 109.73 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.8 -46.25 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.891 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.48 -45.19 85.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.833 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -60.22 -44.06 95.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.89 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.385 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.641 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -62.21 -39.07 91.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.533 ' HG3' HD12 ' A' ' 19' ' ' LEU . 56.8 mttm -60.9 -36.31 78.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.182 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -69.44 -41.66 76.0 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.038 -0.726 . . . . 0.0 109.038 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.625 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 26.8 mmmt -57.84 -49.68 75.84 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.857 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.93 -54.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.228 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.252 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.39 72.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.722 0.296 . . . . 0.0 111.038 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 27' ' ' GLU . 83.5 mt -67.11 -37.46 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.555 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 26' ' ' LEU . 23.7 mtp85 -66.37 -32.02 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.296 0.569 . . . . 0.0 109.556 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -75.65 -45.4 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.153 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.34 -56.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.457 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -53.56 -44.56 69.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.169 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.413 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.6 mm100 -55.71 -52.32 64.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.533 HD13 HG12 ' B' ' 2' ' ' VAL . 93.4 mt -61.72 -41.95 98.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.842 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD12 ' B' ' 5' ' ' LEU . 4.2 mm-40 -59.08 -41.93 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 9.2 mtpm? -70.06 -36.7 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.498 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.46 -39.18 81.51 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.567 HG12 ' HG2' ' B' ' 8' ' ' ARG . 51.9 t -64.48 -49.36 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.183 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.5 70.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.5 -47.5 72.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -66.96 -45.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.852 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.793 ' HG2' HD12 ' B' ' 12' ' ' LEU . 4.4 mm-40 -56.63 -44.44 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.624 0.578 . . . . 0.0 110.634 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -61.48 -50.42 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.28 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.695 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 96.9 mt-10 -61.21 -49.15 78.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.116 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.411 HD22 ' HG2' ' B' ' 15' ' ' ARG . 13.6 t-20 -50.14 -48.64 53.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.839 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.348 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 80.5 mt-30 -71.02 -43.18 68.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 16.8 mt -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.315 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.146 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 68.2 mt-30 -65.64 -41.72 92.31 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.0 tp10 -67.81 -45.88 73.5 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.565 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 HD13 ' B' ' 26' ' ' LEU . 52.3 t -56.91 -49.16 79.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.396 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.83 -48.3 74.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.661 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' B' ' 26' ' ' LEU . 80.4 mt -61.46 -45.61 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.312 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' B' ' 26' ' ' LEU . 4.7 mm-40 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.053 0.454 . . . . 0.0 111.079 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.76 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 39.2 tp10 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 5' ' ' LEU . 39.4 t -57.27 -51.41 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.471 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 38.1 tt0 -58.68 -43.24 89.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.286 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.76 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.88 -43.02 80.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.255 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.571 HD12 ' HG2' ' A' ' 6' ' ' GLU . 95.8 mt -70.12 -34.77 73.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.195 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 59.1 mtpt -63.01 -40.91 99.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 11.5 mmmm -69.18 -36.1 76.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.567 ' HG2' HG12 ' A' ' 9' ' ' VAL . 18.6 tpt180 -61.74 -44.57 96.64 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 77.2 t -59.5 -53.8 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.278 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -57.36 -39.02 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.139 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.12 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.793 HD12 ' HG2' ' A' ' 13' ' ' GLU . 33.9 mt -70.88 -50.33 36.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' B' ' 9' ' ' VAL . 53.2 mmtt -57.23 -39.19 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.839 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.32 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.125 0.488 . . . . 0.0 110.781 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.411 ' HG2' HD22 ' A' ' 16' ' ' ASN . 26.0 ttt180 -84.57 -41.4 16.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.42 0.629 . . . . 0.0 109.629 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.56 -46.84 88.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.039 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.59 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 11.0 t80 -59.51 -49.08 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.628 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.87 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.475 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.557 ' O ' HG21 ' B' ' 23' ' ' VAL . . . -62.56 -38.73 91.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.37 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.56 0.219 . . . . 0.0 110.619 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.6 mm-40 -73.59 -37.09 65.58 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.613 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.2 mtpp -63.22 -45.13 93.09 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.692 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 19' ' ' ALA . 94.4 t -53.54 -51.44 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.928 0.394 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.08 -41.66 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.698 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.91 65.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.512 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.814 ' HB2' HD11 ' A' ' 26' ' ' LEU . 69.1 mt -62.63 -39.24 93.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -66.42 -33.68 76.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.151 0.5 . . . . 0.0 109.906 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.29 -41.76 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.747 0.784 . . . . 0.0 109.158 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.936 179.628 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.542 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.8 tp10 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.436 HG11 HD13 ' B' ' 5' ' ' LEU . 17.4 t -53.68 -51.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.286 0.366 . . . . 0.0 110.774 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -33.97 69.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.604 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 7.8 mm100 -71.34 -41.81 69.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.596 0.712 . . . . 0.0 110.182 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' B' ' 5' ' ' LEU . 60.0 mt -69.43 -34.95 75.18 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.426 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -61.84 -40.11 94.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.9 ptpt -72.93 -25.97 61.23 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.218 0.532 . . . . 0.0 109.717 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -75.83 -42.92 48.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.231 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.733 HG12 ' HG2' ' B' ' 8' ' ' ARG . 78.2 t -63.8 -43.52 97.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.152 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.94 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.674 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -66.01 -53.5 37.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.22 -42.3 93.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.29 -46.03 76.2 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.516 0.51 . . . . 0.0 111.327 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.08 79.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.674 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.1 mt-10 -63.48 -46.91 83.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.196 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -52.33 -45.79 65.76 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.72 -41.64 95.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.27 -38.17 71.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' B' ' 19' ' ' ALA . 17.4 mt -61.38 -46.26 90.92 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.3 -44.14 92.56 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.51 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.2 -40.77 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.315 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 18.6 tp10 -64.39 -45.87 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.425 HG21 HG21 ' B' ' 23' ' ' VAL . 52.0 t -60.08 -48.89 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.603 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.35 83.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.921 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.22 -53.16 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.413 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 1.024 HD12 ' HG3' ' B' ' 27' ' ' ARG . 76.3 mt -61.43 -44.36 97.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.32 0.581 . . . . 0.0 110.125 178.542 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.616 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 6.2 tp10 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.713 0.292 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 60.1 t -56.16 -55.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.604 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.41 -40.61 78.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.141 0.496 . . . . 0.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -61.0 -46.77 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.159 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.436 HD13 HG11 ' A' ' 2' ' ' VAL . 89.7 mt -65.07 -32.56 74.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.245 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.8 mtpt -64.11 -42.58 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.17 -32.09 71.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.918 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.733 ' HG2' HG12 ' A' ' 9' ' ' VAL . 9.9 tpt85 -63.87 -46.21 85.97 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.569 HG21 HG21 ' A' ' 9' ' ' VAL . 70.7 t -58.75 -47.71 88.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.099 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.75 -43.46 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.85 99.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 109.99 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 30.1 mt -64.29 -53.4 49.55 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.176 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -37.82 68.69 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.125 0.265 . . . . 0.0 111.395 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.16 88.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.63 -41.92 71.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.655 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 3.6 m120 -61.23 -36.51 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.196 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -63.67 -49.89 71.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.83 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.17 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.873 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.743 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -66.78 -37.73 85.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 4.8 tttm -60.7 -52.77 63.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.636 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.7 pt20 -68.84 -26.56 65.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.677 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.2 mttp -63.52 -46.03 87.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 23' ' ' VAL . 78.1 t -56.79 -48.55 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.471 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.12 -33.62 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.77 74.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.809 ' HB2' HD11 ' A' ' 26' ' ' LEU . 95.8 mt -64.5 -43.63 93.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.325 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 1.024 ' HG3' HD12 ' A' ' 26' ' ' LEU . 37.2 mtt-85 -65.54 -22.88 66.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -76.62 -47.07 23.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.573 -179.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -53.5 -52.2 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.045 0.215 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.91 74.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.34 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.55 -43.82 92.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.361 0.601 . . . . 0.0 110.203 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' B' ' 5' ' ' LEU . 77.1 mt -66.71 -37.68 85.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.094 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -62.42 -42.66 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.59 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.14 -25.23 60.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -75.53 -38.41 59.36 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.631 HG12 ' HG2' ' B' ' 8' ' ' ARG . 54.7 t -64.95 -46.22 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.865 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -31.81 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.536 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -64.42 -50.84 66.01 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.785 0.802 . . . . 0.0 108.985 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.88 93.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.02 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.79 -43.1 90.42 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.357 0.411 . . . . 0.0 110.896 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.61 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 tt0 -57.39 -51.77 68.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.152 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.05 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.535 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 21.9 t80 -58.97 -37.57 77.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.003 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.8 -34.56 69.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.642 0.258 . . . . 0.0 110.617 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.725 HD12 ' HG3' ' B' ' 20' ' ' LYS . 29.7 mt -67.64 -49.69 61.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.552 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.62 -35.44 77.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.768 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.4 mt-30 -62.59 -41.92 99.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' HB3' HG12 ' B' ' 23' ' ' VAL . 61.8 mm-40 -66.92 -50.65 61.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.428 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.57 HG21 HG23 ' B' ' 23' ' ' VAL . 73.5 t -55.67 -51.7 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.751 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.51 78.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -62.47 -47.43 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.658 ' HB2' HD11 ' B' ' 26' ' ' LEU . 88.7 mt -62.27 -44.36 96.71 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' B' ' 26' ' ' LEU . 7.6 mm-40 . . . . . 0 C--N 1.315 -0.924 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.883 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 2.2 pm0 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 53.7 t -56.09 -55.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.035 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 53.0 tt0 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.354 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.883 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -62.57 -47.09 85.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 111.014 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.476 ' HB2' HD11 ' A' ' 5' ' ' LEU . 96.2 mt -69.43 -28.96 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 63.0 mtpt -64.18 -40.07 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.6 mmmt -69.19 -34.49 74.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.631 ' HG2' HG12 ' A' ' 9' ' ' VAL . 18.3 tpp180 -62.09 -44.31 96.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.105 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.62 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.596 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 96.5 mm-40 -64.79 -41.06 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.349 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.39 98.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 0.0 109.846 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.468 HD13 HG11 ' A' ' 9' ' ' VAL . 44.4 mt -67.76 -50.03 59.3 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.406 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -54.24 -42.32 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.35 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.176 0.512 . . . . 0.0 110.358 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -70.34 -42.05 72.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.834 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.499 HD22 ' HB3' ' A' ' 15' ' ' GLU . 3.1 m120 -61.64 -47.03 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.98 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.66 -47.56 84.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.989 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.49 -37.34 82.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.812 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.54 ' O ' HG21 ' B' ' 23' ' ' VAL . . . -73.49 -43.38 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.725 ' HG3' HD12 ' A' ' 19' ' ' LEU . 91.4 mttt -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.36 -28.43 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.428 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 12.5 mtpt -70.75 -45.72 64.28 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.57 HG23 HG21 ' A' ' 23' ' ' VAL . 61.7 t -56.0 -50.68 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.98 0.419 . . . . 0.0 110.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.11 -40.61 98.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.791 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -63.37 -44.96 93.26 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 26' ' ' LEU . 90.0 mt -61.72 -35.15 77.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.403 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.68 -55.08 39.72 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.899 178.058 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.791 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 2.0 m-70 -66.94 -52.09 47.22 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.463 0.649 . . . . 0.0 110.913 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 N--CA 1.44 -0.933 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.422 -176.059 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.567 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.2 tp10 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.507 HG21 HG21 ' B' ' 2' ' ' VAL . 46.1 t -58.02 -51.41 71.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.502 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -54.88 -43.91 73.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.4 mm100 -58.44 -48.76 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.158 0.504 . . . . 0.0 110.599 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.514 ' CD1' HG11 ' B' ' 2' ' ' VAL . 70.0 mt -63.39 -37.23 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.21 -39.43 90.2 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 82.6 mttt -68.36 -39.83 81.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.37 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.3 -41.21 90.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.241 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.03 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.949 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 4.7 tp60 -67.31 -51.67 49.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.118 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.629 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -61.29 -41.55 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.315 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' B' ' 12' ' ' LEU . 18.7 mm-40 -61.72 -39.6 92.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.549 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.2 74.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.555 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.745 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 82.2 mt-10 -57.08 -54.59 45.07 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -50.39 -44.27 54.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.565 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -61.74 -42.06 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.329 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 22.5 mt -62.1 -53.24 58.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.685 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.47 -40.81 92.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.471 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -44.46 91.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.457 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.1 tp10 -65.93 -41.97 90.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.821 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG21 HG21 ' B' ' 23' ' ' VAL . 25.4 t -60.16 -45.04 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.183 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.71 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.39 -50.28 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.44 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.716 ' HB2' HD11 ' B' ' 26' ' ' LEU . 45.0 mt -62.98 -47.66 82.19 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.464 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' HD12 ' B' ' 26' ' ' LEU . 43.5 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.72 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 8.1 tp10 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.002 0.429 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 5' ' ' LEU . 47.0 t -58.46 -51.92 65.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.677 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.529 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 0.8 OUTLIER -57.16 -41.77 79.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.514 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -58.51 -42.81 88.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.583 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 5' ' ' LEU . 94.9 mt -73.21 -32.09 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.6 mtpt -63.03 -37.69 88.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.459 . . . . 0.0 110.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.68 -36.36 80.55 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.498 ' HG3' HD13 ' B' ' 12' ' ' LEU . 11.0 tpt180 -64.48 -46.22 83.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.912 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.9 -47.8 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.797 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.561 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.688 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 12' ' ' ALA . 33.1 mt -68.97 -54.06 17.36 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.527 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -52.87 -39.83 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.6 91.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.867 0.365 . . . . 0.0 110.554 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.99 -39.2 76.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.593 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -62.2 -42.26 99.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.309 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.9 t80 -57.48 -51.1 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.55 89.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.508 ' O ' HG22 ' B' ' 23' ' ' VAL . . . -64.58 -36.88 85.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.736 ' HG3' HD12 ' A' ' 19' ' ' LEU . 90.9 mttt -65.47 -34.11 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 75.4 mm-40 -69.28 -34.34 74.58 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.8 mtpt -64.47 -45.59 86.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.282 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.508 HG22 ' O ' ' B' ' 19' ' ' ALA . 48.3 t -59.16 -48.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.576 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 16.8 pt20 -68.29 -31.84 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.093 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.59 68.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 109.583 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 26' ' ' LEU . 87.2 mt -64.67 -36.97 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.713 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.86 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -74.04 -42.18 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.288 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.319 -179.153 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.55 HG23 HG21 ' B' ' 2' ' ' VAL . 17.7 t -51.84 -52.38 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.235 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.49 77.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.67 -50.89 69.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 110.108 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' B' ' 5' ' ' LEU . 90.9 mt -60.68 -39.32 87.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.163 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.63 -40.71 95.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.28 -33.93 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.766 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -70.38 -45.45 66.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.297 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.22 -44.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -28.4 68.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -69.61 -49.73 51.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.105 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -66.81 -44.42 81.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.426 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -57.96 -44.5 87.08 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.568 0.223 . . . . 0.0 111.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.67 66.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.677 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 6.1 tt0 -57.11 -46.96 82.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.109 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.66 -44.56 81.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.14 -42.0 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.657 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.09 -41.42 81.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.6 mt -60.78 -55.98 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.992 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' B' ' 15' ' ' ARG . 69.5 mm-40 -59.85 -35.91 75.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 3.2 tp60 -64.39 -45.01 89.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.137 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' B' ' 23' ' ' VAL . 36.6 tp10 -68.22 -41.95 80.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.968 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.98 -47.32 90.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.012 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.91 88.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.273 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -57.33 -46.97 82.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' B' ' 27' ' ' ARG . 95.4 mt -65.92 -54.46 26.17 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.355 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.715 ' HG2' HD12 ' B' ' 26' ' ' LEU . 35.8 mm-40 . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.782 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 10.4 tp10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.536 0.208 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.55 HG21 HG23 ' A' ' 2' ' ' VAL . 55.6 t -52.04 -59.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.693 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.56 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 4.1 tp-100 -58.61 -37.37 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.782 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -62.47 -46.12 89.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.037 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 5' ' ' LEU . 98.7 mt -66.42 -33.99 76.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 59.2 mtpt -62.7 -41.9 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -68.85 -34.52 75.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.433 HG21 ' O ' ' B' ' 5' ' ' LEU . 75.6 t -63.16 -50.43 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.603 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 99.1 mm-40 -57.74 -37.06 72.94 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.442 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -48.99 55.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 12' ' ' ALA . 33.6 mt -61.12 -49.52 76.95 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -58.63 -35.95 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.917 0.136 . . . . 0.0 111.094 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.47 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.197 0.523 . . . . 0.0 110.045 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.429 HH21 ' CD ' ' A' ' 20' ' ' GLU . 14.4 tpt180 -75.69 -38.84 58.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.549 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.495 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -63.25 -46.31 87.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.023 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 25.8 t80 -58.05 -48.49 79.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.506 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.57 -46.28 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -60.5 -37.16 80.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.37 -39.37 94.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.5 mm-40 -67.24 -33.05 74.51 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 24.0 mmmt -64.14 -50.57 67.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.694 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.49 HG12 ' HG2' ' A' ' 22' ' ' GLU . 48.8 t -55.62 -50.15 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.862 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.05 -31.52 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.988 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.87 61.74 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.195 0.521 . . . . 0.0 109.976 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.715 HD12 ' HG2' ' A' ' 27' ' ' GLU . 95.4 mt -63.75 -46.84 83.51 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.039 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.817 ' HG3' HD12 ' A' ' 26' ' ' LEU . 23.5 mtt-85 -66.71 -20.66 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.395 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -82.08 -44.31 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 34.5 ttpt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.482 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.0 tp10 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.537 HG21 HG21 ' B' ' 2' ' ' VAL . 45.7 t -53.49 -52.97 27.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.014 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.56 71.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 111.583 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.482 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 11.4 mm100 -66.12 -44.78 83.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.69 . . . . 0.0 110.323 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HB2' HD11 ' B' ' 5' ' ' LEU . 77.7 mt -66.07 -37.82 86.76 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.643 ' HG2' HD12 ' B' ' 5' ' ' LEU . 34.5 mm-40 -63.13 -44.18 96.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.733 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -71.42 -24.52 62.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -78.42 -39.86 37.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.599 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.711 HG12 ' HG2' ' B' ' 8' ' ' ARG . 39.3 t -61.73 -46.8 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.14 70.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.694 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.9 -46.4 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.685 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.531 ' HB2' HD12 ' B' ' 12' ' ' LEU . . . -63.89 -46.11 86.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.229 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -59.72 -36.06 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.709 0.631 . . . . 0.0 110.226 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.18 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.8 mt-10 -65.68 -51.95 55.39 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.59 -49.27 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.201 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 26.2 t80 -56.31 -38.44 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -78.38 -41.88 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mt -56.42 -49.24 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.13 -38.25 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.614 0.245 . . . . 0.0 111.275 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.0 mt-30 -67.94 -44.11 77.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 109.924 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -64.18 -43.04 96.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.749 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 HG12 ' HE3' ' B' ' 22' ' ' LYS . 20.5 t -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.16 80.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.727 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.85 -48.51 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.375 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.756 ' HB2' HD11 ' B' ' 26' ' ' LEU . 95.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' B' ' 26' ' ' LEU . 42.8 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 111.203 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.624 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 12.1 pt-20 . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.878 0.37 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 2' ' ' VAL . 8.2 t -57.65 -51.09 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.806 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -57.79 -37.88 74.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.136 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.624 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -64.88 -46.42 81.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.942 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.643 HD12 ' HG2' ' A' ' 6' ' ' GLU . 95.8 mt -67.52 -33.82 75.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.679 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 61.9 mtpt -63.95 -41.46 97.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.711 ' HG2' HG12 ' A' ' 9' ' ' VAL . 19.4 tpt85 -63.02 -47.32 83.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 9' ' ' VAL . 64.7 t -60.58 -47.95 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.329 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 5.7 mm100 -63.84 -39.97 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.351 0.596 . . . . 0.0 109.594 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 12' ' ' ALA . 29.6 mt -68.65 -49.82 56.13 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.928 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HD3' HG11 ' B' ' 9' ' ' VAL . 12.9 mptt -55.2 -41.61 72.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.56 93.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.833 0.349 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.67 -42.01 64.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.145 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.72 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.375 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.645 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 5.5 t80 -59.62 -51.74 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.674 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.27 97.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.299 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HG3' HD12 ' A' ' 19' ' ' LEU . 96.6 mttt -62.41 -29.36 70.44 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.608 0.242 . . . . 0.0 110.73 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.2 mm-40 -77.52 -42.52 35.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.65 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 25.0 mtpp -58.78 -45.87 88.83 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.063 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.06 -53.04 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 123.2 0.313 . . . . 0.0 110.756 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -65.73 -38.99 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.36 83.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 26' ' ' LEU . 70.0 mt -64.82 -40.73 95.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.048 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 2.9 mtp-105 -64.65 -34.47 78.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.254 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -75.41 -45.27 39.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.231 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.324 -179.54 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.6 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 27.3 tp10 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.4 -51.8 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.297 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.22 79.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.98 0.419 . . . . 0.0 111.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.6 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 9.2 mm100 -62.97 -47.94 81.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.364 0.602 . . . . 0.0 109.933 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' HG3' ' B' ' 6' ' ' LYS . 85.0 mt -61.17 -40.08 92.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.009 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -59.86 -43.75 94.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.084 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.415 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.93 -43.04 36.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.665 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.501 HG21 HG21 ' B' ' 9' ' ' VAL . 51.3 t -62.32 -47.63 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.56 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.622 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 3.0 tp60 -72.19 -49.71 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.44 -39.95 92.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.758 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' OE2' HD23 ' B' ' 12' ' ' LEU . 17.9 mm-40 -59.3 -42.17 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.213 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.67 96.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.239 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.688 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.4 mt-10 -64.7 -51.41 62.56 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 14.9 t-20 -52.98 -45.32 67.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.398 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.79 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.0 -26.62 39.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 14.5 mt -64.19 -36.79 85.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 16' ' ' ASN . 5.4 mm-40 -62.66 -47.39 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -64.67 -41.25 96.2 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.049 0.452 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.795 ' HG2' HG12 ' B' ' 23' ' ' VAL . 7.7 tt0 -63.29 -42.81 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.5 HG21 HG21 ' B' ' 23' ' ' VAL . 24.1 t -67.28 -45.43 86.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.42 82.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.967 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.03 -51.88 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 1.034 HD12 ' HG3' ' B' ' 27' ' ' ARG . 83.8 mt -64.36 -42.17 96.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.587 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' B' ' 26' ' ' LEU . 7.3 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.477 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.659 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.2 pt-20 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.796 0.331 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 65.3 t -58.39 -53.09 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.974 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 8.1 tt0 -59.44 -36.26 75.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.487 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.659 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.53 -47.44 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.45 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 5' ' ' LEU . 88.8 mt -72.96 -34.19 66.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.238 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.3 mtpt -62.08 -41.48 98.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 21.0 mmmt -70.39 -31.03 68.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.448 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 24.1 tpt180 -65.47 -43.21 91.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.424 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.501 HG21 HG21 ' A' ' 9' ' ' VAL . 65.9 t -59.46 -47.33 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.87 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.432 ' O ' ' HB1' ' B' ' 14' ' ' ALA . 98.3 mm-40 -64.8 -43.24 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.382 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.54 96.91 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 40.2 mt -65.92 -56.12 13.39 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -54.73 -40.6 69.42 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 10' ' ' GLN . . . -62.51 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.252 0.548 . . . . 0.0 109.933 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.87 74.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.93 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.91 -42.71 98.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.24 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.55 -43.46 98.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.812 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -67.08 -36.98 83.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.439 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.492 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -71.39 -36.46 71.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.191 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -63.62 -43.52 96.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.633 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.705 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 pt20 -71.79 -18.68 62.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mmmt -72.56 -49.31 33.39 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.795 HG12 ' HG2' ' A' ' 22' ' ' GLU . 46.5 t -55.78 -51.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.752 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.705 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 22.7 pt20 -65.76 -31.39 72.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.656 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -72.7 -42.8 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.231 0.539 . . . . 0.0 109.639 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.779 ' HB2' HD11 ' A' ' 26' ' ' LEU . 92.5 mt -64.85 -44.09 90.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.667 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 1.034 ' HG3' HD12 ' A' ' 26' ' ' LEU . 89.4 mtt180 -64.53 -24.21 67.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.031 0.443 . . . . 0.0 110.824 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -79.07 -41.48 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.939 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttp . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.484 -179.245 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.508 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 31.4 tp10 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 38.5 t -49.38 -58.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -50.52 -46.21 57.11 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.546 0.529 . . . . 0.0 111.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.1 mm100 -59.55 -43.4 93.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.496 0.665 . . . . 0.0 110.763 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' B' ' 6' ' ' LYS . 95.1 mt -67.61 -35.74 79.52 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.722 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 2' ' ' VAL . 14.0 mt-10 -61.8 -40.24 94.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 83.7 mttt -68.41 -34.6 76.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -72.41 -44.04 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.46 -43.68 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.44 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.393 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.19 -49.85 58.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' B' ' 12' ' ' LEU . . . -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.389 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.68 -41.45 90.72 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.518 0.511 . . . . 0.0 110.49 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.85 72.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.719 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 89.8 mt-10 -63.82 -50.11 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.084 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.09 -44.87 64.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.602 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.04 -39.36 85.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.709 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -78.0 -35.98 49.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.489 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.8 mt -58.61 -44.91 90.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.58 -43.25 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.386 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -63.89 -42.42 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -45.41 82.89 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.214 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG21 HG21 ' B' ' 23' ' ' VAL . 29.4 t -61.8 -45.99 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.37 84.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.74 -51.7 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.22 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 95.5 mt -61.83 -43.91 97.91 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.0 110.158 179.091 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 78.8 tt0 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.553 0.216 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 48.6 t -58.38 -54.67 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -55.14 -41.32 71.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.251 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -64.75 -47.79 76.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.53 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 5' ' ' LEU . 89.6 mt -66.87 -36.54 82.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.968 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.497 ' HG3' HD12 ' A' ' 5' ' ' LEU . 57.7 mtpt -62.49 -41.21 98.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.32 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -67.72 -30.87 70.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -66.63 -45.35 79.34 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.517 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.1 t -57.69 -48.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.759 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.71 -39.73 94.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.391 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.683 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 12' ' ' ALA . 31.8 mt -61.51 -50.71 71.63 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -57.89 -34.87 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.383 0.135 . . . . 0.0 110.916 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.89 81.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.282 0.563 . . . . 0.0 109.893 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -46.4 66.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.211 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.73 -42.64 84.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.998 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.613 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 2.2 t80 -58.04 -50.78 72.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.182 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.24 87.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.24 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.424 ' O ' HG22 ' B' ' 23' ' ' VAL . . . -60.08 -39.78 87.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.767 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.32 -38.56 90.53 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 60.7 mm-40 -66.02 -37.94 87.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.467 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 4.1 mmtm -61.42 -45.79 92.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.714 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 23' ' ' VAL . 88.7 t -57.93 -48.24 84.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.137 0.494 . . . . 0.0 110.538 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.05 -39.14 89.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.01 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.379 0.609 . . . . 0.0 109.784 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -63.63 -36.95 85.52 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.72 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.462 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -38.69 91.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.154 0.502 . . . . 0.0 110.202 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -67.8 -45.15 75.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.375 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 ' H ' HG21 ' A' ' 2' ' ' VAL . 10.7 t -55.21 -45.71 77.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.579 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.58 81.89 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.542 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.69 -47.19 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' B' ' 5' ' ' LEU . 91.2 mt -64.98 -39.62 93.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -61.01 -41.05 95.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -68.12 -34.82 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.071 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.48 ' HG2' HG12 ' B' ' 9' ' ' VAL . 3.3 tp10 -71.89 -45.81 59.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.02 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' B' ' 8' ' ' ARG . 59.2 t -62.44 -42.34 95.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -27.97 66.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.445 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -71.51 -48.32 49.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.297 0.57 . . . . 0.0 109.486 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -67.38 -43.24 81.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.466 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.49 -36.4 80.38 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.163 0.29 . . . . 0.0 111.1 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -53.68 50.09 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.735 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 12.2 tt0 -57.91 -51.98 67.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.136 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -53.04 -46.98 68.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -58.23 -41.04 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.964 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.6 -36.97 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.5 mt -67.24 -54.89 16.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.792 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.39 -27.77 68.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.449 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.29 -37.56 80.77 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 tt0 -72.57 -44.17 62.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.823 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.583 HG11 HD12 ' B' ' 26' ' ' LEU . 53.1 t -58.74 -49.99 80.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.921 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.91 86.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.37 -48.55 77.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.115 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.608 ' HB2' HD11 ' B' ' 26' ' ' LEU . 76.6 mt -62.38 -55.67 25.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' OE2' HD23 ' B' ' 26' ' ' LEU . 30.3 mm-40 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.689 0.281 . . . . 0.0 111.731 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 12.5 t -55.91 -55.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.4 ' OE1' ' HE3' ' B' ' 7' ' ' LYS . 4.8 tp-100 -57.73 -39.39 77.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.412 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -45.7 91.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.039 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.544 ' HB2' HD11 ' A' ' 5' ' ' LEU . 61.4 mt -65.91 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.4 mtpt -61.56 -41.39 97.3 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' OE1' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -68.32 -34.28 75.84 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.319 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.517 ' HG2' HG12 ' A' ' 9' ' ' VAL . 12.3 tpt180 -61.81 -43.02 99.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 8' ' ' GLU . 73.6 t -62.72 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.378 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.81 -41.31 90.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.764 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.81 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.851 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 36.4 mt -65.73 -52.37 51.79 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.605 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.87 -41.1 77.39 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.026 0.204 . . . . 0.0 111.246 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.99 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 110.332 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -72.32 -40.89 67.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.701 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.93 -40.59 96.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.788 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 1.1 t80 -57.56 -53.76 54.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.65 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.92 96.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.906 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.472 ' O ' HG22 ' B' ' 23' ' ' VAL . . . -61.1 -40.3 93.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.13 -37.92 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.828 0.347 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 62.0 mm-40 -71.99 -39.81 68.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 5.3 mmtp -57.31 -50.79 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.34 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 19' ' ' ALA . 76.0 t -54.73 -51.16 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.06 -33.02 73.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.703 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.96 75.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 26' ' ' LEU . 83.8 mt -65.76 -39.01 90.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.454 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -46.54 88.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.184 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -69.63 -47.3 63.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.17 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.976 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 73.2 tt0 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.663 0.268 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.446 HG23 HG21 ' B' ' 2' ' ' VAL . 47.8 t -54.67 -50.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.557 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.75 79.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.235 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.976 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 79.8 mm-40 -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 109.941 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' HG21 ' A' ' 9' ' ' VAL . 95.9 mt -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.478 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.93 -40.35 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 110.308 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -67.16 -40.82 86.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.747 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.63 -42.61 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG12 ' HG2' ' B' ' 8' ' ' ARG . 71.8 t -63.6 -42.09 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.41 66.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.589 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -70.29 -51.23 31.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.62 -43.47 89.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.313 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.83 -40.26 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.082 0.239 . . . . 0.0 111.202 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 18' ' ' GLN . . . -66.04 -46.9 76.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.792 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.6 mt-10 -63.45 -46.07 87.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.946 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -55.68 -41.05 73.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.011 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -58.42 -47.76 82.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.291 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 7.3 pt20 -75.23 -25.12 57.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.576 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 39.8 mt -68.7 -48.05 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.32 -33.65 76.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.069 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.93 -46.6 84.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.738 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -68.61 -46.01 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.045 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.7 t -57.5 -43.45 82.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.19 86.58 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -60.08 -48.53 81.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.857 HD12 ' HG3' ' B' ' 27' ' ' ARG . 93.6 mt -66.36 -48.23 70.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.613 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.756 ' HG2' HD12 ' B' ' 26' ' ' LEU . 6.1 mm-40 . . . . . 0 N--CA 1.469 0.5 0 CA-C-O 121.019 0.438 . . . . 0.0 110.74 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.539 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 43.1 t -54.28 -54.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.267 0.355 . . . . 0.0 110.683 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 41.7 tt0 -60.54 -43.26 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.198 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.67 78.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 5' ' ' LEU . 95.8 mt -71.62 -28.35 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.167 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.3 mtpt -65.18 -43.2 92.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -64.09 -35.32 80.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.114 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.463 ' HG2' HG12 ' A' ' 9' ' ' VAL . 11.8 tpt180 -64.6 -48.14 76.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.775 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 5' ' ' LEU . 75.4 t -57.48 -50.84 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -62.18 -40.19 95.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.269 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.24 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.176 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 51.6 mt -63.39 -50.62 69.16 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.955 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -56.7 -41.19 76.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.92 83.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 109.742 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -63.8 -42.98 97.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.452 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' B' ' 20' ' ' LYS . 2.9 m120 -62.63 -45.76 91.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.501 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.832 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.09 77.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.443 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -61.38 -39.57 91.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.643 ' HG3' HD12 ' A' ' 19' ' ' LEU . 97.7 mttt -63.31 -39.05 93.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.497 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 46.5 mm-40 -68.23 -33.88 75.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.5 OUTLIER -62.23 -44.32 96.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.815 178.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.41 HG21 ' O ' ' B' ' 19' ' ' ALA . 95.5 t -56.44 -52.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.547 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -67.32 -33.3 74.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -66.14 -44.57 83.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.254 0.55 . . . . 0.0 109.598 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.757 ' HB2' HD11 ' A' ' 26' ' ' LEU . 89.4 mt -66.72 -42.37 86.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.134 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.857 ' HG3' HD12 ' A' ' 26' ' ' LEU . 37.5 mtt-85 -67.76 -14.28 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.341 0.591 . . . . 0.0 110.851 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -88.97 -38.1 14.71 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.224 -179.001 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.422 ' HB2' ' HG2' ' A' ' 4' ' ' GLN . 43.5 mt-10 . . . . . 0 CA--C 1.513 -0.446 0 CA-C-O 120.856 0.36 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.561 HG11 HD13 ' B' ' 5' ' ' LEU . 64.6 t -63.45 -48.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.04 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.083 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' ' 1' ' ' GLU . 13.1 mm100 -62.12 -50.55 71.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.232 0.539 . . . . 0.0 110.162 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.53 HD13 HG11 ' B' ' 2' ' ' VAL . 78.3 mt -64.37 -34.99 79.43 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.813 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.7 -40.1 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.569 0.224 . . . . 0.0 110.418 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.12 -34.1 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -72.22 -39.56 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.921 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' B' ' 8' ' ' ARG . 43.3 t -66.38 -46.05 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.021 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.07 -50.89 64.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.706 0.765 . . . . 0.0 109.052 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -66.29 -44.28 83.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.628 ' HG3' HD12 ' B' ' 12' ' ' LEU . 26.9 mt-10 -64.61 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.279 0.362 . . . . 0.0 111.606 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.76 86.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 48.1 mt-10 -66.96 -48.65 67.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.567 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -51.87 -43.67 63.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -56.9 -44.4 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.76 -43.63 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.888 HD11 ' HB2' ' B' ' 19' ' ' ALA . 18.3 mt -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.83 -51.22 69.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.48 -33.42 75.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -71.08 -45.11 64.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -50.88 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.696 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.35 76.62 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.081 0.467 . . . . 0.0 110.73 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.6 -50.9 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HB2' HD11 ' B' ' 26' ' ' LEU . 94.7 mt -61.38 -46.08 91.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.812 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.567 ' HG2' HD12 ' B' ' 26' ' ' LEU . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.176 0.513 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.69 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 2.3 pm0 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.748 0.308 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.53 HG11 HD13 ' A' ' 5' ' ' LEU . 15.4 t -54.95 -54.88 19.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.985 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.545 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 61.1 tp60 -61.33 -30.89 70.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.653 0.263 . . . . 0.0 110.743 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.69 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -68.02 -47.15 69.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.106 0.479 . . . . 0.0 110.653 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 2' ' ' VAL . 92.8 mt -69.23 -26.13 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.636 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 62.9 mtpt -64.34 -38.73 92.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.3 mmmt -68.98 -35.34 76.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.164 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.656 ' HG3' HD13 ' B' ' 12' ' ' LEU . 29.8 tpt180 -64.4 -45.61 86.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.627 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG21 HG21 ' A' ' 9' ' ' VAL . 66.1 t -58.4 -49.87 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.656 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 10.6 mm-40 -62.8 -42.78 99.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.76 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.082 0.468 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.656 HD13 ' HG3' ' B' ' 8' ' ' ARG . 41.7 mt -74.11 -56.28 5.1 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.4 mptp? -53.17 -37.59 62.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.239 0.337 . . . . 0.0 111.717 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 10' ' ' GLN . . . -66.55 -44.24 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.081 0.467 . . . . 0.0 110.225 179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -39.85 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.766 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.2 -41.07 98.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -60.88 -46.23 91.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.37 78.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.888 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -63.05 -41.52 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.305 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.55 -44.72 93.16 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 110.808 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 60.8 mt-30 -66.16 -31.28 72.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -67.75 -44.62 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.72 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 19.3 pt20 -65.63 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.27 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -72.99 -42.85 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.327 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 26' ' ' LEU . 96.0 mt -65.48 -41.6 93.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.503 ' HG3' HD23 ' A' ' 26' ' ' LEU . 22.9 mtt-85 -68.89 -22.42 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.306 0.574 . . . . 0.0 110.576 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.43 -40.74 25.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.528 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.71 -179.183 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.55 -51.75 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.201 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.24 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.723 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -65.94 -51.01 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.192 0.52 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' B' ' 5' ' ' LEU . 85.4 mt -59.6 -39.74 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.74 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.33 -40.98 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.473 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.37 -29.39 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -72.98 -40.91 64.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.456 HG21 HG21 ' B' ' 9' ' ' VAL . 50.7 t -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.483 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.97 -48.89 72.42 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.719 0.771 . . . . 0.0 109.265 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.83 -44.75 84.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.816 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' B' ' 12' ' ' LEU . 33.9 mm-40 -59.44 -39.07 82.37 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.481 0.488 . . . . 0.0 110.389 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.79 86.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.32 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.2 mt-10 -65.68 -50.07 66.24 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -51.25 -45.26 61.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.13 -43.0 77.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.609 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.49 -36.79 60.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.232 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' B' ' 19' ' ' ALA . 20.6 mt -64.22 -52.94 56.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.595 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.21 -37.7 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.432 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -43.39 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.189 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.717 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.574 HG21 HG21 ' B' ' 23' ' ' VAL . 24.7 t -61.25 -42.31 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.344 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.46 83.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.952 0.406 . . . . 0.0 110.014 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.48 -50.15 75.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.459 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.596 HD12 ' HG3' ' B' ' 27' ' ' ARG . 91.6 mt -60.57 -50.4 73.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.63 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 178.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.861 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 39.8 tt0 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.831 0.348 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 71.8 t -56.93 -54.13 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.87 -37.33 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.327 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.861 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -62.95 -49.17 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.164 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.459 ' HB2' HD11 ' A' ' 5' ' ' LEU . 84.9 mt -65.04 -36.17 83.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.8 mtpt -59.4 -45.41 91.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 0.0 110.273 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -31.93 72.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.691 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.58 -45.01 88.83 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.545 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 53.7 t -58.72 -50.07 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.408 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.53 -40.24 96.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.15 95.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 0.0 110.459 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.748 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 42.0 mt -66.42 -53.06 40.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -56.27 -34.67 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.174 0.296 . . . . 0.0 111.106 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -46.07 80.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.0 109.858 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.425 ' O ' ' HB1' ' B' ' 19' ' ' ALA . 18.7 tpt180 -69.7 -38.24 76.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.11 -39.85 95.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.053 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 50.1 t80 -60.32 -54.73 42.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.236 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.77 97.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -64.17 -41.56 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.554 ' HG3' HD12 ' A' ' 19' ' ' LEU . 55.8 mttm -60.46 -35.46 75.94 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.0 mm-40 -74.67 -39.69 61.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.87 -47.4 85.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.602 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 23' ' ' VAL . 68.1 t -57.22 -48.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.49 -36.31 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.02 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 110.373 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 26' ' ' LEU . 94.5 mt -62.27 -45.03 95.09 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.072 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.596 ' HG3' HD12 ' A' ' 26' ' ' LEU . 80.5 mtt180 -64.51 -27.67 69.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 111.272 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -78.74 -44.23 23.88 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.375 0.607 . . . . 0.0 110.017 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.024 -178.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.443 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 38.4 tt0 . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.361 0.124 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.5 t -51.57 -51.14 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.729 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.35 -42.25 81.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 110.778 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.443 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.6 mm100 -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.527 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 mt -65.73 -36.92 84.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.303 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.36 -39.46 93.21 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 92.3 mttt -67.34 -36.42 81.38 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.497 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -68.52 -40.99 80.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.742 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.406 HG12 HD13 ' B' ' 12' ' ' LEU . 50.8 t -65.34 -45.3 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -26.65 68.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.509 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -69.31 -51.47 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB1' ' HZ1' ' B' ' 13' ' ' LYS . . . -64.01 -39.15 93.47 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.072 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' B' ' 12' ' ' LEU . 37.6 mm-40 -61.29 -42.97 99.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.301 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.27 84.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.871 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.686 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.9 mt-10 -62.37 -49.68 74.59 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.725 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.58 -48.55 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.623 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.59 -42.31 78.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.018 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.12 -40.95 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.339 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 15.5 mt -62.36 -51.39 67.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.83 -41.47 91.39 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -68.4 -39.16 81.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tt0 -65.78 -40.9 92.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.812 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG11 HD13 ' B' ' 26' ' ' LEU . 40.7 t -59.68 -46.82 92.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.49 96.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -62.09 -47.4 84.82 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.484 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' B' ' 26' ' ' LEU . 40.9 mt -59.1 -46.21 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 0.0 110.292 178.41 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.865 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 38.0 tt0 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.529 0.204 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.78 -53.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.183 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -44.19 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 109.868 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.865 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -59.37 -46.35 88.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.437 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.475 ' O ' HG22 ' B' ' 9' ' ' VAL . 95.5 mt -67.82 -34.78 77.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.644 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -61.83 -41.83 98.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -69.42 -32.32 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.475 HG22 ' O ' ' B' ' 5' ' ' LEU . 76.9 t -59.39 -48.18 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.998 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.24 -36.01 82.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.435 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.59 85.7 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.178 0.513 . . . . 0.0 109.707 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 13' ' ' GLU . 34.9 mt -64.91 -46.78 80.26 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.001 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HZ1' ' HB1' ' A' ' 12' ' ' ALA . 13.5 mptt -55.65 -40.69 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.123 0.264 . . . . 0.0 110.926 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.9 89.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.053 0.454 . . . . 0.0 110.548 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -70.17 -39.91 75.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.1 -44.98 95.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.193 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.0 -46.75 87.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.95 94.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.767 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -64.06 -43.34 95.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.665 ' HG3' HD12 ' A' ' 19' ' ' LEU . 48.9 mttm -59.31 -40.38 86.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.38 -42.32 88.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -60.05 -43.17 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.194 178.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.44 HG12 ' HG2' ' A' ' 22' ' ' GLU . 87.5 t -58.88 -52.33 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.808 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.25 -38.49 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.219 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.41 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.729 ' HB2' HD11 ' A' ' 26' ' ' LEU . 74.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.483 0.659 . . . . 0.0 110.198 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -65.51 -31.42 72.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.087 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -80.43 -48.36 12.99 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.247 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.819 -179.097 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 75.0 tt0 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 2' ' ' VAL . 38.8 t -56.64 -50.74 72.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.329 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.905 0.384 . . . . 0.0 111.209 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.668 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.9 mm100 -63.83 -42.19 97.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.432 0.634 . . . . 0.0 110.178 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.8 mt -71.32 -35.23 71.15 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.983 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.433 ' HG2' HD12 ' B' ' 5' ' ' LEU . 22.7 mm-40 -65.21 -40.93 94.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.042 178.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -74.28 -19.62 60.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 0.0 109.674 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -80.69 -45.87 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.537 HG12 ' HG2' ' B' ' 8' ' ' ARG . 54.7 t -62.92 -45.25 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.9 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -27.3 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.777 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.42 -48.32 56.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -68.5 -44.83 73.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.738 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.808 ' HG2' HD12 ' B' ' 12' ' ' LEU . 5.0 mm-40 -57.52 -39.05 75.69 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.497 0.498 . . . . 0.0 110.868 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.11 66.83 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.251 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.735 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 61.6 mt-10 -64.11 -53.04 55.79 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.053 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -48.56 -48.65 38.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.477 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -41.72 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.86 -39.38 56.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 38.2 mt -57.51 -48.4 79.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.355 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.64 -42.5 98.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -38.84 92.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' HD13 ' A' ' 26' ' ' LEU . 45.8 tp10 -70.42 -46.43 63.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.676 HG21 HG21 ' B' ' 23' ' ' VAL . 47.6 t -59.32 -48.11 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.76 80.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -64.02 -50.48 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.658 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' B' ' 26' ' ' LEU . 93.0 mt -61.8 -45.29 94.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.408 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.672 ' HG2' HD12 ' B' ' 26' ' ' LEU . 47.9 mm-40 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.061 0.458 . . . . 0.0 110.577 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.844 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 5.4 tp10 . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.559 HG21 HG21 ' A' ' 2' ' ' VAL . 39.1 t -59.53 -52.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.512 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.24 -35.78 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.373 0.606 . . . . 0.0 110.591 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.844 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -69.5 -48.14 61.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.536 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 9' ' ' VAL . 95.3 mt -65.89 -34.7 78.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.532 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -61.81 -42.47 99.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.58 -32.53 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.828 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.602 ' HG3' HD13 ' B' ' 12' ' ' LEU . 32.3 tpt180 -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.543 HG22 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.383 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 3.5 mm100 -57.9 -43.9 86.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.78 -48.49 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.609 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.808 HD12 ' HG2' ' A' ' 13' ' ' GLU . 48.0 mt -59.72 -52.11 66.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HD3' HG11 ' B' ' 9' ' ' VAL . 1.6 mptm? -56.64 -36.98 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.003 0.189 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -70.14 -46.97 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.417 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.8 m120 -56.81 -40.55 76.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.46 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -60.42 -53.43 57.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.954 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.72 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -64.87 -42.64 94.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.511 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HG3' HD12 ' A' ' 19' ' ' LEU . 81.0 mttt -57.22 -41.68 79.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.29 -36.04 71.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.232 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.467 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -66.02 -43.99 86.03 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.676 HG21 HG21 ' A' ' 23' ' ' VAL . 78.7 t -57.35 -52.76 52.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.0 -33.49 76.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.46 -44.29 62.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.145 0.498 . . . . 0.0 110.569 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.672 HD12 ' HG2' ' A' ' 27' ' ' GLU . 95.6 mt -65.12 -43.71 91.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.782 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -26.4 67.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.179 0.514 . . . . 0.0 111.019 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -81.41 -39.79 24.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 tttm . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.001 -178.539 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.624 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp10 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.81 -44.91 99.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.7 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.46 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.2 mm100 -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 110.56 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 84.6 mt -63.43 -38.17 90.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -60.69 -44.11 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.43 -35.85 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.31 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -72.04 -43.33 65.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' B' ' 8' ' ' ARG . 52.4 t -63.41 -46.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.49 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.51 -52.16 14.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.338 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.71 ' HB1' HD11 ' B' ' 12' ' ' LEU . . . -64.9 -41.79 95.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.211 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG2' HD12 ' B' ' 12' ' ' LEU . 19.1 mm-40 -59.49 -46.45 88.77 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.14 0.275 . . . . 0.0 110.862 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.47 87.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.7 tt0 -58.34 -52.32 66.11 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.018 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.523 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 18.2 t-20 -54.18 -48.46 70.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -55.07 -43.98 74.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.508 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.66 -32.89 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 43.7 mt -67.28 -38.78 85.61 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 35.0 mt-10 -62.11 -48.52 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.353 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.13 -38.41 90.53 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.32 -44.38 96.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.759 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.87 -47.22 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.221 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.88 83.54 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.835 0.35 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.71 -54.55 45.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' B' ' 26' ' ' LEU . 90.7 mt -59.42 -44.34 92.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' HD23 ' B' ' 26' ' ' LEU . 42.5 mm-40 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.319 0.58 . . . . 0.0 110.271 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.821 ' HB3' ' HB2' ' B' ' 4' ' ' ALA . 2.7 mp0 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.452 0.644 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.32 -47.68 91.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.444 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.593 HE21 ' HD3' ' B' ' 7' ' ' LYS . 47.7 tp60 -59.85 -41.82 92.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.379 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.821 ' HB2' ' HB3' ' B' ' 1' ' ' GLU . . . -62.19 -43.85 97.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.987 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 9' ' ' VAL . 93.2 mt -67.36 -33.06 74.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.471 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 51.2 mtpt -62.85 -40.46 97.52 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.593 ' HD3' HE21 ' B' ' 3' ' ' GLN . 11.6 mmmm -68.61 -34.29 75.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.606 ' HG2' HG12 ' A' ' 9' ' ' VAL . 13.0 tpt180 -63.8 -45.38 89.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.289 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.3 t -59.01 -49.04 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.259 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.4 -44.99 92.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.347 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.9 92.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.462 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.71 HD11 ' HB1' ' A' ' 12' ' ' ALA . 53.2 mt -64.52 -52.99 54.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.069 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.2 mptp? -55.96 -37.27 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.164 0.29 . . . . 0.0 111.066 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.45 99.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.017 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -73.19 -45.04 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.25 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.627 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.7 m120 -58.7 -40.78 84.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.87 -49.68 73.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.537 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.08 92.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.98 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -63.93 -44.82 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.733 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.601 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 mp0 -67.57 -23.78 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 109.615 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.1 tmtt? -76.27 -47.85 22.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.08 -47.22 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.601 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 2.6 pt20 -65.85 -39.77 91.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.817 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -64.04 -44.54 92.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.523 ' HB2' HD11 ' A' ' 26' ' ' LEU . 96.1 mt -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.44 ' HD2' HD23 ' A' ' 26' ' ' LEU . 1.4 tpt180 -65.89 -40.65 91.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.817 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 1.8 m-70 -77.06 -60.84 2.2 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 122.315 1.055 . . . . 0.0 109.944 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 tttp . . . . . 0 N--CA 1.439 -0.995 0 CA-C-N 112.317 -2.22 . . . . 0.0 112.705 -176.594 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.446 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.71 -48.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.36 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.06 -39.39 74.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.388 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.0 mm100 -63.05 -46.85 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.516 0.674 . . . . 0.0 110.133 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 5' ' ' LEU . 89.5 mt -65.36 -35.2 80.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.319 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -60.13 -42.11 94.08 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 91.5 mttt -64.53 -40.37 95.49 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.399 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -65.78 -45.73 81.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG11 HD13 ' B' ' 12' ' ' LEU . 56.5 t -62.49 -47.65 91.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' HB1' ' A' ' 14' ' ' ALA . . . -63.65 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.764 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 tp-100 -69.06 -45.46 70.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.681 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -67.5 -45.18 76.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.738 ' HG2' HD23 ' B' ' 12' ' ' LEU . 51.3 mt-10 -62.74 -36.41 82.94 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.451 0.47 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 10' ' ' ALA . . . -64.6 -47.73 77.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt-10 -60.77 -54.71 41.86 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.56 -48.73 27.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.458 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.53 -39.63 84.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.836 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -77.64 -31.37 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.536 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.2 mt -63.81 -46.43 85.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.75 -37.88 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -65.17 -45.28 85.55 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.048 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -64.3 -42.86 96.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.032 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG21 HG21 ' B' ' 23' ' ' VAL . 24.4 t -58.93 -47.68 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.081 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.16 83.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.487 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -62.4 -54.92 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.483 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' B' ' 26' ' ' LEU . 96.5 mt -59.67 -41.15 89.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.464 0.65 . . . . 0.0 109.784 178.26 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.755 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 13.2 tp10 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.047 0.451 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 48.5 t -65.26 -49.47 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.131 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.55 -40.66 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 110.164 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.755 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.56 -39.54 80.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.124 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.547 ' HB2' HD11 ' A' ' 5' ' ' LEU . 65.8 mt -78.39 -35.32 47.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.7 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.2 mtpt -59.97 -44.3 94.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.37 -33.22 74.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -64.04 -45.57 88.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 5' ' ' LEU . 72.3 t -59.07 -47.62 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.54 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -62.67 -42.16 99.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.254 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.738 HD23 ' HG2' ' A' ' 13' ' ' GLU . 42.6 mt -67.87 -52.68 33.76 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.624 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -54.06 -38.31 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.249 0.343 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -46.66 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.149 0.5 . . . . 0.0 109.674 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.26 -43.03 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.236 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.7 m120 -61.01 -42.86 99.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.467 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -45.67 90.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -64.38 -34.87 79.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.08 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 19' ' ' LEU . . . -78.34 -37.45 44.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -60.75 -47.17 87.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.552 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.427 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.4 pt20 -65.82 -26.65 67.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.843 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.8 mmmm -67.7 -48.16 67.34 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.529 HG21 HG21 ' A' ' 23' ' ' VAL . 62.5 t -57.92 -48.61 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.158 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.502 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -68.38 -47.97 65.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.536 ' HB2' HD11 ' A' ' 26' ' ' LEU . 93.3 mt -62.82 -43.39 98.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.611 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 6.1 ttt85 -69.0 -19.62 64.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.071 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -85.89 -46.47 10.56 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 tttp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.313 -179.803 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.202 0.525 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.551 HG21 HG21 ' B' ' 2' ' ' VAL . 44.7 t -75.57 -36.19 33.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.17 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.701 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.81 -45.85 91.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.279 0.561 . . . . 0.0 110.659 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.712 HD12 ' HG3' ' B' ' 6' ' ' LYS . 49.8 mt -67.68 -33.24 74.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 51.4 mm-40 -60.31 -41.03 92.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.58 -38.31 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.095 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -67.89 -44.05 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.405 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.512 HG22 HD21 ' B' ' 5' ' ' LEU . 59.2 t -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 6' ' ' GLU . . . -65.74 -24.97 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.935 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -69.87 -51.97 28.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -66.48 -43.84 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.643 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' HD23 ' B' ' 12' ' ' LEU . 29.4 mm-40 -56.49 -43.46 79.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.474 0.484 . . . . 0.0 111.277 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -49.54 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.716 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.686 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 49.4 mt-10 -66.86 -45.44 78.14 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.485 0.491 . . . . 0.0 109.959 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.49 -44.61 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.213 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.55 -34.47 70.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.135 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.8 mt -67.02 -50.08 63.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.42 -41.57 89.83 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.075 0.464 . . . . 0.0 109.887 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.34 -41.4 96.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.56 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HG2' HG12 ' B' ' 23' ' ' VAL . 3.4 tp10 -72.15 -41.99 66.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.8 t -59.53 -49.66 82.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.637 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.61 72.58 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.457 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.29 -51.03 71.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.648 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 1.018 HD12 ' HG3' ' B' ' 27' ' ' ARG . 94.8 mt -62.55 -43.7 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' B' ' 26' ' ' LEU . 5.3 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.442 0.639 . . . . 0.0 109.832 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 6.8 pt-20 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.667 0.27 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.551 HG21 HG21 ' A' ' 2' ' ' VAL . 14.9 t -58.28 -51.9 65.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.057 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.87 -36.52 74.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.453 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.01 -45.95 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.487 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 9' ' ' VAL . 88.1 mt -67.69 -33.21 74.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.147 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.712 ' HG3' HD12 ' A' ' 5' ' ' LEU . 60.6 mtpt -61.76 -40.17 94.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -70.32 -34.65 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -63.28 -44.61 94.61 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.318 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.64 HG11 ' HE3' ' B' ' 13' ' ' LYS . 76.4 t -58.04 -53.96 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.677 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.33 -39.05 81.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.27 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 109.89 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 35.7 mt -66.04 -49.36 67.97 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.64 ' HE3' HG11 ' B' ' 9' ' ' VAL . 19.8 mmtp -59.29 -41.73 89.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 111.096 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.79 73.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.121 0.486 . . . . 0.0 110.318 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -80.45 -39.8 27.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.793 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.05 -41.42 99.48 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.272 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -60.63 -47.49 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.317 0.579 . . . . 0.0 109.69 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.65 89.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.871 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.552 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -62.15 -42.07 98.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.291 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.94 -41.21 95.82 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.497 ' O ' ' HB1' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -69.21 -31.76 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.692 178.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mtpp -67.25 -46.3 74.14 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' A' ' 22' ' ' GLU . 90.1 t -55.92 -49.03 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 16.7 pt20 -68.77 -30.99 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.641 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -77.56 -44.19 29.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.889 0.376 . . . . 0.0 110.246 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.699 ' HB2' HD11 ' A' ' 26' ' ' LEU . 95.1 mt -62.3 -43.29 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.195 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 1.018 ' HG3' HD12 ' A' ' 26' ' ' LEU . 35.7 mtt-85 -64.95 -29.62 70.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -76.74 -43.4 37.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.0 109.799 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.354 -179.594 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.647 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 2.1 tp10 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.7 HG21 HG21 ' B' ' 2' ' ' VAL . 21.4 t -52.18 -53.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.216 0.322 . . . . 0.0 111.134 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.71 75.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 111.268 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.647 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 8.5 mm100 -57.09 -47.46 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.548 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.55 -41.54 96.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.869 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -59.44 -40.96 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.49 -32.07 70.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.258 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -73.62 -41.61 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.077 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.691 HG12 ' HG2' ' B' ' 8' ' ' ARG . 55.6 t -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.688 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.6 -26.76 67.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.983 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -70.11 -49.78 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.375 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.727 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -68.57 -40.76 80.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.591 ' HG2' HD12 ' B' ' 12' ' ' LEU . 33.3 mm-40 -57.32 -41.82 80.65 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.407 0.442 . . . . 0.0 110.649 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -52.02 65.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.35 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.733 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 66.2 mt-10 -61.27 -47.6 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.79 -43.9 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.531 0.52 . . . . 0.0 110.839 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.19 -43.84 92.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.129 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.39 -36.58 76.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.211 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' B' ' 19' ' ' ALA . 21.0 mt -66.1 -54.3 27.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.391 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -58.77 -40.24 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.69 -41.47 99.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.214 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HG2' HG12 ' B' ' 23' ' ' VAL . 25.3 tp10 -70.87 -45.6 64.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.349 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' B' ' 22' ' ' LYS . 36.5 t -57.81 -48.02 84.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.615 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.38 -45.7 76.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.977 0.418 . . . . 0.0 110.433 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -62.13 -53.15 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.764 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 89.5 mt -60.07 -47.21 86.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.964 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.609 ' HG2' HD12 ' B' ' 26' ' ' LEU . 6.5 mm-40 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.766 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.742 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 32.9 tp10 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 2' ' ' VAL . 64.8 t -54.61 -57.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.214 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 40.9 tt0 -57.61 -41.47 81.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.742 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -56.68 -48.79 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.716 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.526 ' O ' HG22 ' B' ' 9' ' ' VAL . 96.4 mt -65.74 -32.29 73.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 60.8 mtpt -64.26 -39.94 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -66.8 -36.65 82.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.212 178.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.691 ' HG2' HG12 ' A' ' 9' ' ' VAL . 21.5 tpt180 -63.69 -46.04 87.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.598 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.526 HG22 ' O ' ' B' ' 5' ' ' LEU . 71.4 t -58.15 -49.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 8.4 mm-40 -65.93 -36.73 84.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.316 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.78 90.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.193 0.521 . . . . 0.0 109.771 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' ' 12' ' ' ALA . 33.3 mt -65.09 -51.13 63.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 5.5 mptp? -55.5 -38.05 68.65 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.493 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.53 95.13 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.263 0.554 . . . . 0.0 110.238 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -73.84 -45.79 49.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.421 ' HA ' HD13 ' A' ' 19' ' ' LEU . 3.7 m120 -59.13 -46.23 88.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.93 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 2.2 t80 -58.54 -41.64 85.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.63 -46.42 31.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.345 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -60.78 -39.72 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.642 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.474 ' HG3' HD12 ' A' ' 19' ' ' LEU . 87.3 mttt -59.71 -40.64 88.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.363 . . . . 0.0 110.477 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.94 -33.61 70.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 7.4 mmtt -64.18 -48.31 76.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.771 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.54 HG11 ' HD2' ' B' ' 27' ' ' ARG . 63.0 t -55.7 -49.22 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 110.582 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -65.49 -37.36 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.01 68.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.436 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.4 mt -63.4 -42.53 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.824 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.585 ' HG3' HD12 ' A' ' 26' ' ' LEU . 27.3 mtt-85 -67.28 -25.83 66.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.985 0.421 . . . . 0.0 110.984 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -81.21 -42.12 21.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.204 0.526 . . . . 0.0 109.858 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.301 -179.336 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.864 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 33.4 tt0 . . . . . 0 CA--C 1.521 -0.14 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.79 -47.35 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.927 0.394 . . . . 0.0 111.514 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.864 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 85.7 mm-40 -65.72 -48.25 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.578 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.64 -38.53 85.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.042 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -60.24 -42.85 96.13 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.09 -33.22 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.8 -44.15 70.63 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.545 HG12 ' HG2' ' B' ' 8' ' ' ARG . 55.5 t -63.89 -45.98 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.467 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.78 68.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.976 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -67.82 -48.65 65.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -69.52 -43.94 72.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.588 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG2' HD12 ' B' ' 12' ' ' LEU . 22.7 mm-40 -55.05 -43.61 73.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.55 0.531 . . . . 0.0 111.314 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.24 60.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.721 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.789 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 58.8 mt-10 -63.95 -49.75 71.35 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.184 179.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -51.4 -46.48 62.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.429 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 42.9 t80 -55.88 -44.56 78.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -70.2 -42.78 71.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.999 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 26.9 mt -58.55 -52.55 65.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.326 -179.192 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -60.5 -41.74 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 85.7 mt-30 -64.83 -42.89 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.308 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG2' HG12 ' B' ' 23' ' ' VAL . 8.5 tp10 -64.34 -44.93 89.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.799 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -57.66 -46.81 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.181 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.67 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.223 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -55.72 31.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.377 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' B' ' 26' ' ' LEU . 78.5 mt -58.42 -48.43 80.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HG2' HD12 ' B' ' 26' ' ' LEU . 30.2 mm-40 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.305 0.574 . . . . 0.0 111.469 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.565 ' CG ' ' HB1' ' B' ' 4' ' ' ALA . 7.9 pt-20 . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.469 0.176 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.91 -54.08 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -60.98 -36.28 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.708 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.565 ' HB1' ' CG ' ' B' ' 1' ' ' GLU . . . -66.84 -47.13 72.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.215 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.25 -37.05 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.079 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.36 -38.57 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.71 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -72.9 -31.94 65.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG3' HD13 ' B' ' 12' ' ' LEU . 23.3 tpt180 -65.34 -42.2 93.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.604 HG11 ' HE3' ' B' ' 13' ' ' LYS . 70.7 t -58.94 -53.67 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.732 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -58.65 -41.75 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.0 96.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 0.0 110.38 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 33.9 mt -67.08 -51.93 48.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.379 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.604 ' HE3' HG11 ' B' ' 9' ' ' VAL . 16.7 mmtp -57.12 -39.33 74.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 110.594 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.96 79.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -76.26 -44.48 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.713 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.31 -47.35 83.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.13 -46.08 89.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.22 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.281 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -62.47 -39.79 94.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.816 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.709 ' HG3' HD12 ' A' ' 19' ' ' LEU . 96.8 mttt -60.41 -37.45 80.88 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.69 0.281 . . . . 0.0 111.029 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -28.63 57.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.6 mmtm -68.87 -48.64 62.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 177.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.584 HG12 ' HG2' ' A' ' 22' ' ' GLU . 83.1 t -55.03 -48.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.736 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.12 -40.78 96.94 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.252 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.727 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -65.05 -46.95 79.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 26' ' ' LEU . 87.2 mt -63.32 -29.75 71.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.719 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.774 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -64.9 -47.18 78.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.785 178.596 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . 0.727 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 4.2 m-70 -68.59 -53.88 20.04 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-O 121.772 0.796 . . . . 0.0 109.632 178.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 tptp . . . . . 0 N--CA 1.44 -0.956 0 CA-C-N 112.763 -2.017 . . . . 0.0 111.374 -176.854 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.235 0.295 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.47 -47.14 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.603 0.24 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.24 77.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 111.144 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -61.21 -49.82 75.61 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.155 179.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' B' ' 5' ' ' LEU . 89.6 mt -63.63 -37.77 88.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.714 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.411 178.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.12 -31.47 70.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.375 0.607 . . . . 0.0 110.154 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -74.45 -44.94 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.217 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.37 -44.04 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.57 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.836 178.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -65.96 -51.88 54.61 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -66.61 -43.6 84.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.371 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.726 ' HG2' HD12 ' B' ' 12' ' ' LEU . 4.3 mm-40 -57.79 -39.18 76.93 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.308 0.38 . . . . 0.0 111.702 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.24 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.362 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 52.8 mt-10 -62.55 -52.15 64.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.34 -46.92 47.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.235 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -56.16 -40.48 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.121 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -83.28 -28.75 28.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.804 -179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.7 mt -66.57 -52.66 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.47 -37.44 83.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.254 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -65.65 -44.05 87.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.892 179.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' HG2' HG12 ' B' ' 23' ' ' VAL . 13.9 tp10 -66.28 -44.5 83.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.3 t -57.81 -46.1 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.234 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.71 82.67 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.03 -50.95 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 79.5 mt -64.83 -46.06 83.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.219 -179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.648 ' HG2' HD12 ' B' ' 26' ' ' LEU . 29.5 mm-40 . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.206 0.527 . . . . 0.0 110.114 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.743 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 2.1 pm0 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.9 t -52.16 -56.69 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.123 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.58 -28.84 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.049 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.743 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -68.67 -45.56 71.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.13 0.49 . . . . 0.0 110.532 179.267 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.499 ' HB2' HD11 ' A' ' 5' ' ' LEU . 89.7 mt -72.35 -34.98 68.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.727 -179.452 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 62.3 mtpt -58.25 -46.16 86.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.104 179.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.94 -32.0 72.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.011 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.605 ' HG3' HD13 ' B' ' 12' ' ' LEU . 32.5 tpt180 -65.06 -42.29 94.35 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.583 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 56.1 t -60.5 -51.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.595 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.54 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.583 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.27 81.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.726 HD12 ' HG2' ' A' ' 13' ' ' GLU . 43.0 mt -63.27 -53.04 59.12 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.716 179.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.583 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 2.9 mptp? -56.33 -36.83 69.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.317 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.66 88.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.176 0.512 . . . . 0.0 110.279 179.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -71.93 -42.65 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -59.93 -47.24 86.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.369 179.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.34 -45.92 76.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.453 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.92 66.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.68 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.48 83.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.952 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HG3' HD12 ' A' ' 19' ' ' LEU . 97.1 mttt -59.45 -38.94 82.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 110.381 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.1 mmmt -62.95 -51.65 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.498 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.539 HG12 ' HG2' ' A' ' 22' ' ' GLU . 87.0 t -54.21 -49.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.35 -36.44 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.97 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.478 . . . . 0.0 110.624 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 85.4 mt -66.29 -42.71 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.712 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.654 ' HG3' HD12 ' A' ' 26' ' ' LEU . 37.8 mtt180 -66.07 -21.76 66.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.308 0.575 . . . . 0.0 110.841 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -78.82 -32.84 46.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.317 0.579 . . . . 0.0 110.169 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.62 -179.23 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.451 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.4 tp10 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.503 HG11 HD13 ' B' ' 5' ' ' LEU . 17.1 t -53.13 -53.38 22.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.77 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 111.05 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 99.4 mm-40 -58.65 -48.77 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.682 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 97.2 mt -61.68 -42.85 99.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' B' ' 5' ' ' LEU . 40.9 mm-40 -58.22 -41.2 83.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.006 0.431 . . . . 0.0 110.516 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -36.29 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.123 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.64 -39.86 80.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.699 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG21 HG21 ' B' ' 9' ' ' VAL . 54.0 t -62.4 -47.24 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.874 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -69.82 -52.0 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.558 0.694 . . . . 0.0 109.323 179.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.795 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -63.91 -41.8 97.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' HG2' HD12 ' B' ' 12' ' ' LEU . 5.3 mm-40 -59.41 -40.86 88.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.22 83.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.287 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.693 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 14.1 mt-10 -63.11 -51.12 67.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.25 178.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -51.48 -46.36 63.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.936 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.59 -41.52 81.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.993 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -75.53 -36.68 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 35.5 mt -60.72 -48.54 81.32 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.71 -43.64 88.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.381 178.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG2' HG12 ' B' ' 23' ' ' VAL . 23.5 tp10 -64.56 -46.74 81.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.745 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' B' ' 22' ' ' LYS . 40.6 t -60.44 -48.17 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.665 179.202 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.34 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.779 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.14 -47.0 84.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.302 179.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 26' ' ' LEU . 81.3 mt -63.09 -47.14 84.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.513 0.673 . . . . 0.0 110.43 179.107 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.558 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 11.3 pm0 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.87 0.366 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 41.8 t -57.67 -48.88 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.185 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.581 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 47.2 tt0 -59.01 -39.84 83.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.888 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.558 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -56.84 -49.06 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.995 179.522 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 2' ' ' VAL . 96.0 mt -69.15 -33.21 73.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.652 -179.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.9 mtpt -64.19 -40.26 95.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.949 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.6 -35.93 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -64.02 -45.89 86.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.526 178.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.498 HG21 HG21 ' A' ' 9' ' ' VAL . 76.3 t -60.57 -47.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.108 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.44 ' O ' ' HB1' ' B' ' 14' ' ' ALA . 98.6 mm-40 -62.24 -40.16 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.368 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.38 75.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 0.0 110.1 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 12' ' ' ALA . 53.7 mt -62.55 -53.16 58.76 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -56.09 -36.82 68.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.954 -0.112 . . . . 0.0 110.766 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 10' ' ' GLN . . . -65.29 -43.43 91.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 109.98 178.58 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -67.07 -44.58 79.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 109.264 178.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.476 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' NE2' ' B' ' 21' ' ' GLN . 2.6 t80 -61.12 -45.91 92.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -72.33 -41.27 66.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.574 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.457 ' HG3' HD12 ' A' ' 19' ' ' LEU . 56.1 mttm -57.92 -49.3 77.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.53 0.205 . . . . 0.0 111.493 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.425 ' NE2' ' HD1' ' B' ' 17' ' ' TYR . 12.7 pt20 -65.46 -29.23 69.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -67.39 -43.44 81.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.815 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.549 HG21 ' O ' ' B' ' 19' ' ' ALA . 89.5 t -59.33 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.068 178.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -61.95 -37.15 83.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.68 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.668 ' HB2' HD11 ' A' ' 26' ' ' LEU . 96.2 mt -65.33 -36.98 85.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.589 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.587 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.27 -37.67 87.91 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.459 0.647 . . . . 0.0 109.475 178.308 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -70.36 -44.89 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttm . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.029 -179.137 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.861 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 44.7 tt0 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 120.451 0.167 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.793 HG11 HD13 ' B' ' 5' ' ' LEU . 43.5 t -59.47 -43.8 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.474 ' H ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.89 -43.26 90.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.861 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 94.7 mm-40 -59.93 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.495 0.664 . . . . 0.0 110.001 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' B' ' 6' ' ' LYS . 93.9 mt -63.92 -38.4 90.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.703 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -58.85 -40.62 84.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.222 178.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 93.3 mttt -69.05 -36.34 77.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.94 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.46 -40.82 70.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.475 179.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' B' ' 8' ' ' ARG . 69.5 t -65.41 -46.52 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -24.61 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.485 178.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -70.93 -52.66 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 109.45 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -67.18 -45.1 77.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.789 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.656 ' HG3' HD12 ' B' ' 12' ' ' LEU . 19.3 mt-10 -57.54 -40.27 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -52.25 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.681 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 3.0 tt0 -57.15 -50.06 73.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.887 178.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -51.2 -50.22 59.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.417 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -36.58 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.448 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.71 -34.04 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.792 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.1 mt -64.54 -53.08 53.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.15 -27.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.63 0.252 . . . . 0.0 110.545 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.36 -41.04 70.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.604 ' HG2' HG12 ' B' ' 23' ' ' VAL . 20.8 tp10 -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.698 HG12 HD13 ' B' ' 26' ' ' LEU . 53.4 t -59.11 -49.84 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.165 178.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.79 95.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.854 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.76 -51.57 69.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.584 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.764 HD12 ' HG3' ' B' ' 27' ' ' ARG . 73.6 mt -60.0 -47.45 85.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.39 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG2' HD12 ' B' ' 26' ' ' LEU . 5.6 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 110.772 179.474 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.812 0.339 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.645 HG21 HG21 ' A' ' 2' ' ' VAL . 55.2 t -55.0 -52.73 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.5 -32.94 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.592 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.39 81.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.017 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.793 HD13 HG11 ' A' ' 2' ' ' VAL . 82.8 mt -70.13 -36.64 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.371 -179.414 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.569 ' HG3' HD12 ' A' ' 5' ' ' LEU . 50.2 mtpt -59.91 -43.04 95.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' B' ' 7' ' ' LYS . 0.2 OUTLIER -67.2 -29.53 69.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.963 178.372 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.626 ' HG3' HD13 ' B' ' 12' ' ' LEU . 20.9 tpt180 -68.15 -47.43 68.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.15 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.86 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.36 -42.43 86.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.12 81.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.456 179.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 13' ' ' GLU . 36.7 mt -62.2 -54.59 38.71 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.314 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.09 -36.91 68.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.508 0.194 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.12 93.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.272 178.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -73.15 -40.08 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.663 178.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.478 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -59.95 -48.96 79.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.153 179.367 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.508 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -58.94 -43.39 91.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.048 179.289 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -47.58 72.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.503 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -60.38 -33.93 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.157 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' B' ' 16' ' ' ASN . 98.5 mttt -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 73.5 mm-40 -74.41 -33.25 62.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.626 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.9 mmmm -62.07 -45.42 93.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.694 177.634 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.604 HG12 ' HG2' ' A' ' 22' ' ' GLU . 59.5 t -55.75 -50.91 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.171 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.98 -41.06 97.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.49 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.73 89.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.907 -179.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.75 ' HB2' HD11 ' A' ' 26' ' ' LEU . 85.4 mt -67.35 -40.72 85.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.764 ' HG3' HD12 ' A' ' 26' ' ' LEU . 28.9 mtt-85 -67.37 -25.68 66.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.239 0.543 . . . . 0.0 109.865 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -75.84 -43.09 47.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.989 178.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.969 179.352 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.62 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.2 tp10 . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.684 0.278 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.499 HG21 HG21 ' B' ' 2' ' ' VAL . 48.0 t -54.59 -49.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.064 179.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.11 80.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.311 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.62 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.2 mm100 -65.82 -44.09 86.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.395 0.617 . . . . 0.0 109.877 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' A' ' 5' ' ' LEU . 73.0 mt -66.87 -36.14 81.65 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.235 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.565 ' HG2' HD12 ' B' ' 5' ' ' LEU . 32.8 mm-40 -64.29 -41.7 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.566 178.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -71.34 -22.16 61.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.092 0.473 . . . . 0.0 109.857 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -80.24 -42.72 22.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG12 ' CG ' ' B' ' 8' ' ' ARG . 54.7 t -62.89 -45.1 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.63 69.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.611 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.79 -51.01 37.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -62.53 -41.75 99.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.218 179.198 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.91 -37.41 82.15 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.499 0.5 . . . . 0.0 111.269 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.1 85.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.279 0.562 . . . . 0.0 110.233 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 19.5 tp10 -68.35 -48.78 63.93 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.172 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -53.39 -45.78 69.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.2 -43.58 78.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.491 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -71.07 -30.96 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.941 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 41.7 mt -68.62 -51.03 46.68 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.56 -37.11 80.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.237 179.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.47 -43.6 89.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.523 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.9 tp10 -66.67 -47.64 71.86 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.949 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.0 t -57.27 -46.8 85.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.681 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.18 85.05 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.229 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.26 -53.17 48.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.76 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD11 ' HB2' ' B' ' 26' ' ' LEU . 64.2 mt -56.86 -46.75 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.353 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.371 178.828 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.836 0.351 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.499 HG21 HG21 ' A' ' 2' ' ' VAL . 51.2 t -56.31 -54.19 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.219 179.33 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.11 -32.6 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.41 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -65.98 -44.23 85.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.565 HD12 ' HG2' ' A' ' 6' ' ' GLU . 98.6 mt -74.61 -34.59 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.717 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.58 0.229 . . . . 0.0 110.516 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.82 -31.69 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.471 ' CG ' HG12 ' A' ' 9' ' ' VAL . 22.8 tpt180 -65.41 -44.98 85.73 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 5' ' ' LEU . 86.6 t -61.06 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.179 178.662 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -62.25 -36.79 83.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.67 80.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 110.103 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 12' ' ' ALA . 25.1 mt -62.33 -48.69 78.73 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.338 179.22 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.24 -38.92 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.0 0.188 . . . . 0.0 111.397 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.53 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.26 0.552 . . . . 0.0 109.74 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -67.49 -39.51 85.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.489 179.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.55 -42.19 95.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.529 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.57 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.994 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -69.74 -39.99 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -61.65 -47.17 86.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.315 . . . . 0.0 110.872 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 1.5 pt20 -68.39 -27.7 66.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 14.2 mttp -65.5 -46.77 78.39 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.009 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' B' ' 27' ' ' ARG . 70.4 t -54.42 -50.51 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.158 178.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.08 -41.99 98.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.262 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.54 71.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.788 ' HB2' HD11 ' A' ' 26' ' ' LEU . 88.9 mt -62.08 -40.88 97.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 12.0 ttt180 -65.89 -38.58 89.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.74 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -72.66 -45.01 61.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.683 -178.613 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 1.061 ' HB3' ' HG3' ' A' ' 4' ' ' GLN . 14.4 tp10 -84.48 154.19 22.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.555 0.217 . . . . 0.0 110.612 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.574 HG11 HD13 ' B' ' 5' ' ' LEU . 32.1 t -57.15 -49.11 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.43 76.78 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 1.061 ' HG3' ' HB3' ' A' ' 1' ' ' GLU . 37.9 mt-30 -63.75 -46.91 83.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.118 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.644 HD13 HG12 ' B' ' 2' ' ' VAL . 89.3 mt -64.25 -37.83 88.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.615 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -64.29 -40.96 97.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.848 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -72.23 -23.48 61.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 109.714 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.13 -42.5 26.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.79 -43.15 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.18 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.833 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.73 -50.62 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.681 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -63.13 -44.36 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.744 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -58.55 -43.38 89.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.545 0.528 . . . . 0.0 111.093 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.36 86.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.734 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 98.4 mt-10 -66.01 -50.13 65.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.76 -48.03 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.934 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.756 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 51.1 t80 -55.8 -43.45 76.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.773 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.88 -41.65 67.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.918 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 19.7 mt -57.41 -47.29 82.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.214 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.19 -34.95 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.756 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 91.3 mm-40 -66.87 -46.13 75.94 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.272 0.558 . . . . 0.0 109.662 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.35 -44.19 79.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.43 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' B' ' 22' ' ' LYS . 33.2 t -60.58 -47.46 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.32 87.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.054 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.61 -51.26 58.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.685 ' HB2' HD11 ' B' ' 26' ' ' LEU . 86.1 mt -58.83 -39.42 81.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.622 ' OE1' ' HA3' ' A' ' 31' ' ' GLY . 38.5 mm-40 -72.59 -40.4 66.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 0.0 110.42 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -62.5 -32.06 72.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -90.62 -28.45 18.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.528 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.91 -73.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.048 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.622 ' HA3' ' OE1' ' A' ' 27' ' ' GLU . . . -39.03 109.21 0.1 Allowed Glycine 0 CA--C 1.526 0.771 0 O-C-N 124.289 0.993 . . . . 0.0 114.481 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.152 0 O-C-N 122.114 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.967 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 6.9 tp10 -90.8 127.56 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.644 HG12 HD13 ' A' ' 5' ' ' LEU . 42.5 t -57.26 -53.89 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.18 -38.61 73.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.468 . . . . 0.0 110.431 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.967 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -65.1 -49.14 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.229 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.574 HD13 HG11 ' A' ' 2' ' ' VAL . 97.1 mt -63.89 -34.38 77.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -67.75 -30.45 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -65.73 -45.18 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 5' ' ' LEU . 74.2 t -60.07 -47.89 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.155 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 97.8 mm-40 -63.25 -40.84 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.373 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.43 92.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 109.747 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 12' ' ' ALA . 36.1 mt -63.53 -51.86 63.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.282 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -37.77 71.06 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.286 0.366 . . . . 0.0 111.052 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.83 97.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.841 0.353 . . . . 0.0 110.336 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -74.44 -37.61 63.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.951 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.18 -45.18 89.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.507 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -44.58 92.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.268 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.8 71.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -63.49 -43.72 96.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.581 ' HG3' HD12 ' A' ' 19' ' ' LEU . 92.8 mttt -56.68 -46.25 81.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 110.483 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -62.31 -38.84 90.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.567 ' HB3' HG23 ' A' ' 23' ' ' VAL . 3.2 mmmm -62.49 -48.43 79.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.36 -48.31 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.673 0.273 . . . . 0.0 111.314 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.82 -30.6 68.15 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.999 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.77 75.95 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 26' ' ' LEU . 96.8 mt -69.75 -32.99 71.82 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.293 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.45 -27.52 66.25 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.703 0.763 . . . . 0.0 109.165 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -80.37 -42.5 22.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.771 0.795 . . . . 0.0 108.968 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -68.9 -43.69 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.244 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -149.41 46.63 0.97 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.13 40.32 2.47 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.163 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.545 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 41.3 tp10 -91.16 154.1 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.622 0.248 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.425 HG21 ' CG2' ' B' ' 2' ' ' VAL . 18.4 t -54.28 -53.25 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.58 -38.15 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.545 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.3 mm100 -63.99 -48.2 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.325 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 5' ' ' LEU . 91.4 mt -65.06 -36.46 84.42 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.531 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.76 -42.12 92.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.23 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -67.05 -33.82 76.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.36 0.6 . . . . 0.0 109.888 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.89 -42.67 60.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.693 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' B' ' 8' ' ' ARG . 55.6 t -63.65 -44.39 98.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.53 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.541 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -66.04 -53.61 36.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.645 0.736 . . . . 0.0 109.113 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -64.85 -43.89 91.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.722 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.676 ' HG2' HD12 ' B' ' 12' ' ' LEU . 18.2 mm-40 -57.39 -47.47 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.18 0.3 . . . . 0.0 111.445 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.719 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 93.0 mt-10 -65.47 -49.76 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.103 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -52.35 -45.55 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.29 -40.77 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.799 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -73.42 -39.69 64.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.303 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 13.4 mt -62.75 -48.57 78.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.71 -37.18 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.702 0.287 . . . . 0.0 110.253 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.85 -45.15 93.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.99 -45.12 78.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.371 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' B' ' 22' ' ' LYS . 36.4 t -56.61 -44.38 80.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.283 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.65 95.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.12 -50.55 72.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.55 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mt -62.51 -47.11 85.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.633 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.88 ' HG2' HD12 ' B' ' 26' ' ' LEU . 6.6 mm-40 -63.02 -40.12 96.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.376 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -65.36 -37.8 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.824 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -68.74 -35.38 77.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.09 -47.38 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.956 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.77 -116.92 2.62 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.191 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 122.691 -0.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.99 141.79 29.25 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 54.8 t -55.87 -50.28 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.429 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -62.09 -37.36 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.39 98.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.547 ' HB2' HD11 ' A' ' 5' ' ' LEU . 85.3 mt -69.95 -31.95 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.23 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.3 mtpt -61.46 -39.24 90.15 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.7 -35.06 79.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 9' ' ' VAL . 15.7 tpt85 -64.62 -46.15 83.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.523 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 91.9 t -57.45 -50.37 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.643 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.0 -40.94 90.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.36 77.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.676 HD12 ' HG2' ' A' ' 13' ' ' GLU . 41.2 mt -63.18 -52.57 61.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.248 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.523 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.3 mptp? -56.95 -36.37 70.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.054 0.221 . . . . 0.0 110.576 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.07 99.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.231 0.538 . . . . 0.0 109.73 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.8 -46.25 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.891 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.48 -45.19 85.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.833 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -60.22 -44.06 95.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.89 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.385 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.641 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -62.21 -39.07 91.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.533 ' HG3' HD12 ' A' ' 19' ' ' LEU . 56.8 mttm -60.9 -36.31 78.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.182 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -69.44 -41.66 76.0 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.038 -0.726 . . . . 0.0 109.038 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.625 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 26.8 mmmt -57.84 -49.68 75.84 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.857 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.93 -54.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.228 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.252 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.39 72.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.722 0.296 . . . . 0.0 111.038 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 27' ' ' GLU . 83.5 mt -67.11 -37.46 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.555 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 26' ' ' LEU . 23.7 mtp85 -66.37 -32.02 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.296 0.569 . . . . 0.0 109.556 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -75.65 -45.4 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -57.92 -44.52 86.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 58.4 m -137.04 -66.82 0.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.486 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.58 -94.17 1.78 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.359 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 O-C-N 122.747 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 -74.56 155.88 37.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.34 -56.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.457 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -53.56 -44.56 69.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.169 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.413 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.6 mm100 -55.71 -52.32 64.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD13 HG12 ' B' ' 2' ' ' VAL . 93.4 mt -61.72 -41.95 98.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.842 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD12 ' B' ' 5' ' ' LEU . 4.2 mm-40 -59.08 -41.93 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 9.2 mtpm? -70.06 -36.7 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.498 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.46 -39.18 81.51 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.567 HG12 ' HG2' ' B' ' 8' ' ' ARG . 51.9 t -64.48 -49.36 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.183 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.5 70.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.5 -47.5 72.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -66.96 -45.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.852 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.793 ' HG2' HD12 ' B' ' 12' ' ' LEU . 4.4 mm-40 -56.63 -44.44 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.624 0.578 . . . . 0.0 110.634 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -61.48 -50.42 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.28 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.695 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 96.9 mt-10 -61.21 -49.15 78.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.116 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.411 HD22 ' HG2' ' B' ' 15' ' ' ARG . 13.6 t-20 -50.14 -48.64 53.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.839 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.348 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 80.5 mt-30 -71.02 -43.18 68.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 16.8 mt -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.315 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.146 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 68.2 mt-30 -65.64 -41.72 92.31 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.0 tp10 -67.81 -45.88 73.5 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.565 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG11 HD13 ' B' ' 26' ' ' LEU . 52.3 t -56.91 -49.16 79.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.396 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.83 -48.3 74.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.661 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' B' ' 26' ' ' LEU . 80.4 mt -61.46 -45.61 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.312 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' B' ' 26' ' ' LEU . 4.7 mm-40 -65.52 -42.72 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.053 0.454 . . . . 0.0 111.079 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.64 -44.95 88.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.94 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -74.38 -23.37 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 111.359 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.576 ' SG ' ' HE2' ' B' ' 29' ' ' LYS . 53.3 t -78.23 -25.33 46.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.961 0.41 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.37 68.73 0.47 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.405 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 122.644 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.76 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 39.2 tp10 -91.29 126.49 36.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.426 . . . . 0.0 110.72 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 5' ' ' LEU . 39.4 t -57.27 -51.41 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.471 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 38.1 tt0 -58.68 -43.24 89.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.286 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.76 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.88 -43.02 80.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.255 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.571 HD12 ' HG2' ' A' ' 6' ' ' GLU . 95.8 mt -70.12 -34.77 73.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.195 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 59.1 mtpt -63.01 -40.91 99.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 11.5 mmmm -69.18 -36.1 76.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.567 ' HG2' HG12 ' A' ' 9' ' ' VAL . 18.6 tpt180 -61.74 -44.57 96.64 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 77.2 t -59.5 -53.8 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.278 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -57.36 -39.02 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.139 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.12 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.793 HD12 ' HG2' ' A' ' 13' ' ' GLU . 33.9 mt -70.88 -50.33 36.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' B' ' 9' ' ' VAL . 53.2 mmtt -57.23 -39.19 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.839 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.32 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.125 0.488 . . . . 0.0 110.781 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.411 ' HG2' HD22 ' A' ' 16' ' ' ASN . 26.0 ttt180 -84.57 -41.4 16.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.42 0.629 . . . . 0.0 109.629 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.56 -46.84 88.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.039 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.59 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 11.0 t80 -59.51 -49.08 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.628 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.87 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.475 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.557 ' O ' HG21 ' B' ' 23' ' ' VAL . . . -62.56 -38.73 91.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.37 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.56 0.219 . . . . 0.0 110.619 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.6 mm-40 -73.59 -37.09 65.58 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.613 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.2 mtpp -63.22 -45.13 93.09 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.692 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 19' ' ' ALA . 94.4 t -53.54 -51.44 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.928 0.394 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.08 -41.66 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.698 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.91 65.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.512 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.814 ' HB2' HD11 ' A' ' 26' ' ' LEU . 69.1 mt -62.63 -39.24 93.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -66.42 -33.68 76.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.151 0.5 . . . . 0.0 109.906 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.29 -41.76 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.747 0.784 . . . . 0.0 109.158 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE2' ' SG ' ' A' ' 30' ' ' CYS . 80.5 tttt -59.95 -44.49 94.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 65.0 m -147.28 -66.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 89.17 -151.06 21.79 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.796 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.684 0 O-C-N 122.944 -0.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.542 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.8 tp10 -84.47 160.98 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.436 HG11 HD13 ' B' ' 5' ' ' LEU . 17.4 t -53.68 -51.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.286 0.366 . . . . 0.0 110.774 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -33.97 69.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.604 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 7.8 mm100 -71.34 -41.81 69.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.596 0.712 . . . . 0.0 110.182 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' B' ' 5' ' ' LEU . 60.0 mt -69.43 -34.95 75.18 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.426 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -61.84 -40.11 94.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.9 ptpt -72.93 -25.97 61.23 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.218 0.532 . . . . 0.0 109.717 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -75.83 -42.92 48.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.231 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.733 HG12 ' HG2' ' B' ' 8' ' ' ARG . 78.2 t -63.8 -43.52 97.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.152 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.94 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.674 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -66.01 -53.5 37.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.22 -42.3 93.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.29 -46.03 76.2 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.516 0.51 . . . . 0.0 111.327 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.08 79.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.674 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.1 mt-10 -63.48 -46.91 83.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.196 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -52.33 -45.79 65.76 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.72 -41.64 95.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.27 -38.17 71.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' B' ' 19' ' ' ALA . 17.4 mt -61.38 -46.26 90.92 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.3 -44.14 92.56 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.51 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.2 -40.77 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.315 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 18.6 tp10 -64.39 -45.87 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.425 HG21 HG21 ' B' ' 23' ' ' VAL . 52.0 t -60.08 -48.89 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.603 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.35 83.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.921 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.22 -53.16 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.413 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.024 HD12 ' HG3' ' B' ' 27' ' ' ARG . 76.3 mt -61.43 -44.36 97.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -58.14 -39.96 80.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.32 0.581 . . . . 0.0 110.125 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -71.95 -44.97 62.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -69.19 -22.5 63.9 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.99 -25.27 52.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.032 0.444 . . . . 0.0 110.352 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.58 -140.97 16.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.416 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.616 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 6.2 tp10 -82.06 133.97 35.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.713 0.292 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 60.1 t -56.16 -55.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.604 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.41 -40.61 78.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.141 0.496 . . . . 0.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -61.0 -46.77 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.159 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.436 HD13 HG11 ' A' ' 2' ' ' VAL . 89.7 mt -65.07 -32.56 74.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.245 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.8 mtpt -64.11 -42.58 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.17 -32.09 71.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.918 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.733 ' HG2' HG12 ' A' ' 9' ' ' VAL . 9.9 tpt85 -63.87 -46.21 85.97 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.569 HG21 HG21 ' A' ' 9' ' ' VAL . 70.7 t -58.75 -47.71 88.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.099 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.75 -43.46 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.85 99.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 109.99 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.504 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 30.1 mt -64.29 -53.4 49.55 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.176 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -37.82 68.69 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.125 0.265 . . . . 0.0 111.395 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.16 88.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.63 -41.92 71.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.655 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 3.6 m120 -61.23 -36.51 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.196 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -63.67 -49.89 71.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.83 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.17 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.873 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.743 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -66.78 -37.73 85.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 4.8 tttm -60.7 -52.77 63.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.636 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.7 pt20 -68.84 -26.56 65.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.677 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.2 mttp -63.52 -46.03 87.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 23' ' ' VAL . 78.1 t -56.79 -48.55 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.471 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.12 -33.62 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.77 74.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.809 ' HB2' HD11 ' A' ' 26' ' ' LEU . 95.8 mt -64.5 -43.63 93.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.325 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 1.024 ' HG3' HD12 ' A' ' 26' ' ' LEU . 37.2 mtt-85 -65.54 -22.88 66.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -76.62 -47.07 23.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.8 -48.85 43.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 75.8 m -142.01 75.07 1.48 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.29 75.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 122.707 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -84.46 163.68 19.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -53.5 -52.2 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.045 0.215 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.91 74.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.34 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.55 -43.82 92.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.361 0.601 . . . . 0.0 110.203 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' B' ' 5' ' ' LEU . 77.1 mt -66.71 -37.68 85.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.094 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -62.42 -42.66 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.59 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.14 -25.23 60.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -75.53 -38.41 59.36 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.631 HG12 ' HG2' ' B' ' 8' ' ' ARG . 54.7 t -64.95 -46.22 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.865 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -31.81 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.536 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -64.42 -50.84 66.01 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.785 0.802 . . . . 0.0 108.985 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.88 93.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.02 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.79 -43.1 90.42 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.357 0.411 . . . . 0.0 110.896 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.61 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 tt0 -57.39 -51.77 68.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.152 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.05 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.535 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 21.9 t80 -58.97 -37.57 77.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.003 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.8 -34.56 69.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.642 0.258 . . . . 0.0 110.617 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.725 HD12 ' HG3' ' B' ' 20' ' ' LYS . 29.7 mt -67.64 -49.69 61.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.552 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.62 -35.44 77.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.768 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.4 mt-30 -62.59 -41.92 99.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' HB3' HG12 ' B' ' 23' ' ' VAL . 61.8 mm-40 -66.92 -50.65 61.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.428 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG21 HG23 ' B' ' 23' ' ' VAL . 73.5 t -55.67 -51.7 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.751 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.51 78.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -62.47 -47.43 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.761 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 88.7 mt -62.27 -44.36 96.71 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' B' ' 26' ' ' LEU . 7.6 mm-40 -69.48 -47.92 62.37 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -53.7 -45.26 70.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.381 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -91.22 -6.81 52.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.761 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -142.84 -70.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 27' ' ' GLU . . . -64.97 91.69 0.12 Allowed Glycine 0 CA--C 1.521 0.438 0 CA-C-N 116.31 -0.404 . . . . 0.0 113.805 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 122.33 -0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.883 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 2.2 pm0 -76.86 176.79 8.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.797 0.332 . . . . 0.0 111.53 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 53.7 t -56.09 -55.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.035 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 53.0 tt0 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.354 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.883 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -62.57 -47.09 85.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 111.014 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.476 ' HB2' HD11 ' A' ' 5' ' ' LEU . 96.2 mt -69.43 -28.96 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 63.0 mtpt -64.18 -40.07 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.6 mmmt -69.19 -34.49 74.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.631 ' HG2' HG12 ' A' ' 9' ' ' VAL . 18.3 tpp180 -62.09 -44.31 96.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.105 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.62 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.596 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 96.5 mm-40 -64.79 -41.06 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.349 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.39 98.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 0.0 109.846 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.468 HD13 HG11 ' A' ' 9' ' ' VAL . 44.4 mt -67.76 -50.03 59.3 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.406 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -54.24 -42.32 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.35 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.176 0.512 . . . . 0.0 110.358 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -70.34 -42.05 72.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.834 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.499 HD22 ' HB3' ' A' ' 15' ' ' GLU . 3.1 m120 -61.64 -47.03 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.98 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.66 -47.56 84.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.989 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.49 -37.34 82.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.812 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.54 ' O ' HG21 ' B' ' 23' ' ' VAL . . . -73.49 -43.38 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.725 ' HG3' HD12 ' A' ' 19' ' ' LEU . 91.4 mttt -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.36 -28.43 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.428 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 12.5 mtpt -70.75 -45.72 64.28 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.57 HG23 HG21 ' A' ' 23' ' ' VAL . 61.7 t -56.0 -50.68 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.98 0.419 . . . . 0.0 110.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.11 -40.61 98.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.791 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -63.37 -44.96 93.26 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 26' ' ' LEU . 90.0 mt -61.72 -35.15 77.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.403 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.68 -55.08 39.72 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.899 178.058 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.791 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 2.0 m-70 -66.94 -52.09 47.22 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.463 0.649 . . . . 0.0 110.913 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -50.25 -24.88 3.17 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.422 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 48.1 t -163.54 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.8 79.96 0.82 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.002 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.742 -0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.567 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.2 tp10 -78.73 154.96 29.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.507 HG21 HG21 ' B' ' 2' ' ' VAL . 46.1 t -58.02 -51.41 71.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.502 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -54.88 -43.91 73.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.4 mm100 -58.44 -48.76 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.158 0.504 . . . . 0.0 110.599 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.514 ' CD1' HG11 ' B' ' 2' ' ' VAL . 70.0 mt -63.39 -37.23 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.21 -39.43 90.2 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 82.6 mttt -68.36 -39.83 81.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.37 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.3 -41.21 90.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.241 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.03 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.949 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 4.7 tp60 -67.31 -51.67 49.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.118 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.629 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -61.29 -41.55 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.315 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' B' ' 12' ' ' LEU . 18.7 mm-40 -61.72 -39.6 92.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.549 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.2 74.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.555 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.745 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 82.2 mt-10 -57.08 -54.59 45.07 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -50.39 -44.27 54.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.565 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -61.74 -42.06 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.329 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 22.5 mt -62.1 -53.24 58.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.685 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.47 -40.81 92.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.471 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -44.46 91.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.457 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.1 tp10 -65.93 -41.97 90.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.821 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG21 HG21 ' B' ' 23' ' ' VAL . 25.4 t -60.16 -45.04 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.183 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.71 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.39 -50.28 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.44 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.716 ' HB2' HD11 ' B' ' 26' ' ' LEU . 45.0 mt -62.98 -47.66 82.19 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.464 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' HD12 ' B' ' 26' ' ' LEU . 43.5 mm-40 -58.61 -40.95 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.19 -42.71 75.45 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.533 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -76.19 -32.42 59.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.064 0.459 . . . . 0.0 111.358 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 46.6 t -76.28 -39.86 53.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.21 73.15 0.47 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.903 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.589 0 O-C-N 122.804 -0.233 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.72 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 8.1 tp10 -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.429 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.514 HG11 ' CD1' ' A' ' 5' ' ' LEU . 47.0 t -58.46 -51.92 65.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.677 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.529 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 0.8 OUTLIER -57.16 -41.77 79.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.514 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -58.51 -42.81 88.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.583 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 5' ' ' LEU . 94.9 mt -73.21 -32.09 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.6 mtpt -63.03 -37.69 88.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.459 . . . . 0.0 110.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.68 -36.36 80.55 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.498 ' HG3' HD13 ' B' ' 12' ' ' LEU . 11.0 tpt180 -64.48 -46.22 83.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.912 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.9 -47.8 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.797 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.561 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.688 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 12' ' ' ALA . 33.1 mt -68.97 -54.06 17.36 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.527 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -52.87 -39.83 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.6 91.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.867 0.365 . . . . 0.0 110.554 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.99 -39.2 76.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.593 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -62.2 -42.26 99.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.309 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.9 t80 -57.48 -51.1 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.55 89.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.508 ' O ' HG22 ' B' ' 23' ' ' VAL . . . -64.58 -36.88 85.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.736 ' HG3' HD12 ' A' ' 19' ' ' LEU . 90.9 mttt -65.47 -34.11 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 75.4 mm-40 -69.28 -34.34 74.58 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.8 mtpt -64.47 -45.59 86.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.282 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.508 HG22 ' O ' ' B' ' 19' ' ' ALA . 48.3 t -59.16 -48.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.576 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 16.8 pt20 -68.29 -31.84 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.093 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.59 68.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 109.583 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 26' ' ' LEU . 87.2 mt -64.67 -36.97 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.713 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.697 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 0.4 OUTLIER -65.07 -38.86 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.26 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -74.04 -42.18 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.288 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.6 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 40.0 ttpt -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.319 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 80.9 m -137.64 -59.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.806 0.336 . . . . 0.0 111.535 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.697 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 104.5 -53.97 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.221 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 O-C-N 123.043 -0.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -75.98 159.4 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.024 0.203 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.55 HG23 HG21 ' B' ' 2' ' ' VAL . 17.7 t -51.84 -52.38 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.235 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.49 77.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.67 -50.89 69.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 110.108 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' B' ' 5' ' ' LEU . 90.9 mt -60.68 -39.32 87.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.163 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.63 -40.71 95.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.28 -33.93 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.766 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -70.38 -45.45 66.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.297 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.22 -44.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -28.4 68.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -69.61 -49.73 51.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.105 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -66.81 -44.42 81.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.426 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -57.96 -44.5 87.08 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.568 0.223 . . . . 0.0 111.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.67 66.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.677 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 6.1 tt0 -57.11 -46.96 82.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.109 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.66 -44.56 81.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.14 -42.0 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.657 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.09 -41.42 81.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.6 mt -60.78 -55.98 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.992 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' B' ' 15' ' ' ARG . 69.5 mm-40 -59.85 -35.91 75.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 3.2 tp60 -64.39 -45.01 89.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.137 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' B' ' 23' ' ' VAL . 36.6 tp10 -68.22 -41.95 80.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.968 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.98 -47.32 90.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.012 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.91 88.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.273 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -57.33 -46.97 82.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' B' ' 27' ' ' ARG . 95.4 mt -65.92 -54.46 26.17 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.355 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.715 ' HG2' HD12 ' B' ' 26' ' ' LEU . 35.8 mm-40 -57.75 -43.13 85.21 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.58 -45.48 91.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.32 -24.67 37.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.147 0.499 . . . . 0.0 110.965 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 96.6 m -107.71 52.32 0.72 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.197 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.43 -53.69 0.54 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.156 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.559 0 O-C-N 122.706 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.782 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 10.4 tp10 -82.13 134.62 35.33 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.078 0.236 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.55 HG21 HG23 ' A' ' 2' ' ' VAL . 55.6 t -52.04 -59.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.693 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.56 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 4.1 tp-100 -58.61 -37.37 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.782 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -62.47 -46.12 89.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.037 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 5' ' ' LEU . 98.7 mt -66.42 -33.99 76.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 59.2 mtpt -62.7 -41.9 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -68.85 -34.52 75.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.433 HG21 ' O ' ' B' ' 5' ' ' LEU . 75.6 t -63.16 -50.43 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.603 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 99.1 mm-40 -57.74 -37.06 72.94 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.442 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -48.99 55.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 12' ' ' ALA . 33.6 mt -61.12 -49.52 76.95 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -58.63 -35.95 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.917 0.136 . . . . 0.0 111.094 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.47 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.197 0.523 . . . . 0.0 110.045 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.429 HH21 ' CD ' ' A' ' 20' ' ' GLU . 14.4 tpt180 -75.69 -38.84 58.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.549 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.495 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -63.25 -46.31 87.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.023 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 25.8 t80 -58.05 -48.49 79.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.506 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.57 -46.28 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.458 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -60.5 -37.16 80.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.37 -39.37 94.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.5 mm-40 -67.24 -33.05 74.51 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 24.0 mmmt -64.14 -50.57 67.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.694 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.49 HG12 ' HG2' ' A' ' 22' ' ' GLU . 48.8 t -55.62 -50.15 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.862 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.05 -31.52 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.988 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.87 61.74 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.195 0.521 . . . . 0.0 109.976 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.715 HD12 ' HG2' ' A' ' 27' ' ' GLU . 95.4 mt -63.75 -46.84 83.51 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.039 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.817 ' HG3' HD12 ' A' ' 26' ' ' LEU . 23.5 mtt-85 -66.71 -20.66 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.395 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -82.08 -44.31 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 34.5 ttpt -74.24 -47.39 35.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.9 t -147.17 87.64 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.867 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.63 137.17 14.13 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.182 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 O-C-N 122.75 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.0 tp10 -74.3 158.53 33.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.537 HG21 HG21 ' B' ' 2' ' ' VAL . 45.7 t -53.49 -52.97 27.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.014 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.56 71.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 111.583 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 11.4 mm100 -66.12 -44.78 83.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.69 . . . . 0.0 110.323 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HB2' HD11 ' B' ' 5' ' ' LEU . 77.7 mt -66.07 -37.82 86.76 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.643 ' HG2' HD12 ' B' ' 5' ' ' LEU . 34.5 mm-40 -63.13 -44.18 96.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.733 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -71.42 -24.52 62.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -78.42 -39.86 37.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.599 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.711 HG12 ' HG2' ' B' ' 8' ' ' ARG . 39.3 t -61.73 -46.8 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.14 70.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.694 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.9 -46.4 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.685 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.531 ' HB2' HD12 ' B' ' 12' ' ' LEU . . . -63.89 -46.11 86.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.229 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -59.72 -36.06 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.709 0.631 . . . . 0.0 110.226 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.18 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.8 mt-10 -65.68 -51.95 55.39 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.59 -49.27 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.201 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 26.2 t80 -56.31 -38.44 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -78.38 -41.88 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mt -56.42 -49.24 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.13 -38.25 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.614 0.245 . . . . 0.0 111.275 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.0 mt-30 -67.94 -44.11 77.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 109.924 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -64.18 -43.04 96.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.749 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG12 ' HE3' ' B' ' 22' ' ' LYS . 20.5 t -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.16 80.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.727 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.85 -48.51 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.375 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.756 ' HB2' HD11 ' B' ' 26' ' ' LEU . 95.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' B' ' 26' ' ' LEU . 42.8 mm-40 -61.74 -40.46 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 111.203 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -71.53 -35.6 70.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.997 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -86.55 -29.57 22.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.392 . . . . 0.0 111.921 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.797 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 51.1 t -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.841 0.353 . . . . 0.0 110.993 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.53 30.03 8.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.25 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 122.795 -0.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.624 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 12.1 pt-20 -81.71 169.05 17.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.878 0.37 . . . . 0.0 111.288 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 2' ' ' VAL . 8.2 t -57.65 -51.09 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.806 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -57.79 -37.88 74.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.136 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.624 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -64.88 -46.42 81.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.942 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.643 HD12 ' HG2' ' A' ' 6' ' ' GLU . 95.8 mt -67.52 -33.82 75.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.679 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 61.9 mtpt -63.95 -41.46 97.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.711 ' HG2' HG12 ' A' ' 9' ' ' VAL . 19.4 tpt85 -63.02 -47.32 83.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 9' ' ' VAL . 64.7 t -60.58 -47.95 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.329 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 5.7 mm100 -63.84 -39.97 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.351 0.596 . . . . 0.0 109.594 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 12' ' ' ALA . 29.6 mt -68.65 -49.82 56.13 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.928 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HD3' HG11 ' B' ' 9' ' ' VAL . 12.9 mptt -55.2 -41.61 72.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.56 93.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.833 0.349 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.67 -42.01 64.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.145 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.72 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.375 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.645 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 5.5 t80 -59.62 -51.74 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.674 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.27 97.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.299 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HG3' HD12 ' A' ' 19' ' ' LEU . 96.6 mttt -62.41 -29.36 70.44 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.608 0.242 . . . . 0.0 110.73 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.2 mm-40 -77.52 -42.52 35.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.65 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 25.0 mtpp -58.78 -45.87 88.83 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.063 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.06 -53.04 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 123.2 0.313 . . . . 0.0 110.756 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -65.73 -38.99 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.36 83.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 26' ' ' LEU . 70.0 mt -64.82 -40.73 95.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.048 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.741 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 2.9 mtp-105 -64.65 -34.47 78.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.254 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -75.41 -45.27 39.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.231 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.797 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 38.8 ttpt -63.88 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.324 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 89.2 m -140.15 -62.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 111.085 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.741 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 97.09 -157.86 21.11 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.895 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.633 0 O-C-N 122.716 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.6 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 27.3 tp10 -71.17 154.35 41.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.4 -51.8 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.297 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.22 79.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.98 0.419 . . . . 0.0 111.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.6 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 9.2 mm100 -62.97 -47.94 81.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.364 0.602 . . . . 0.0 109.933 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 HD12 ' HG3' ' B' ' 6' ' ' LYS . 85.0 mt -61.17 -40.08 92.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.009 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -59.86 -43.75 94.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.084 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.415 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.93 -43.04 36.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.665 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.501 HG21 HG21 ' B' ' 9' ' ' VAL . 51.3 t -62.32 -47.63 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.56 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.622 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 3.0 tp60 -72.19 -49.71 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.44 -39.95 92.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.758 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' OE2' HD23 ' B' ' 12' ' ' LEU . 17.9 mm-40 -59.3 -42.17 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.213 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.67 96.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.239 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.688 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.4 mt-10 -64.7 -51.41 62.56 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 14.9 t-20 -52.98 -45.32 67.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.398 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.79 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.0 -26.62 39.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 14.5 mt -64.19 -36.79 85.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 16' ' ' ASN . 5.4 mm-40 -62.66 -47.39 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -64.67 -41.25 96.2 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.049 0.452 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.795 ' HG2' HG12 ' B' ' 23' ' ' VAL . 7.7 tt0 -63.29 -42.81 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.5 HG21 HG21 ' B' ' 23' ' ' VAL . 24.1 t -67.28 -45.43 86.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.42 82.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.967 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.03 -51.88 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.034 HD12 ' HG3' ' B' ' 27' ' ' ARG . 83.8 mt -64.36 -42.17 96.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.587 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' B' ' 26' ' ' LEU . 7.3 mm-40 -64.07 -43.22 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.477 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -64.36 -42.7 96.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.423 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.74 -25.7 61.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' B' ' 30' ' ' CYS . 21.0 t -89.71 4.5 49.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.248 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.6 32.91 5.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.802 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 122.825 -0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.659 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.2 pt-20 -90.2 171.82 9.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 65.3 t -58.39 -53.09 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.974 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 8.1 tt0 -59.44 -36.26 75.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.487 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.659 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.53 -47.44 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.45 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 5' ' ' LEU . 88.8 mt -72.96 -34.19 66.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.238 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.3 mtpt -62.08 -41.48 98.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 21.0 mmmt -70.39 -31.03 68.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.448 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 24.1 tpt180 -65.47 -43.21 91.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.424 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.501 HG21 HG21 ' A' ' 9' ' ' VAL . 65.9 t -59.46 -47.33 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.87 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.432 ' O ' ' HB1' ' B' ' 14' ' ' ALA . 98.3 mm-40 -64.8 -43.24 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.382 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.54 96.91 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 40.2 mt -65.92 -56.12 13.39 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -54.73 -40.6 69.42 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 10' ' ' GLN . . . -62.51 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.252 0.548 . . . . 0.0 109.933 178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -41.87 74.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.93 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.91 -42.71 98.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.24 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.55 -43.46 98.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.812 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -67.08 -36.98 83.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.439 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.492 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -71.39 -36.46 71.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.191 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -63.62 -43.52 96.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.633 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.705 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 pt20 -71.79 -18.68 62.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mmmt -72.56 -49.31 33.39 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.795 HG12 ' HG2' ' A' ' 22' ' ' GLU . 46.5 t -55.78 -51.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.752 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.705 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 22.7 pt20 -65.76 -31.39 72.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.656 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -72.7 -42.8 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.231 0.539 . . . . 0.0 109.639 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.779 ' HB2' HD11 ' A' ' 26' ' ' LEU . 92.5 mt -64.85 -44.09 90.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.667 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 1.034 ' HG3' HD12 ' A' ' 26' ' ' LEU . 89.4 mtt180 -64.53 -24.21 67.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.031 0.443 . . . . 0.0 110.824 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -79.07 -41.48 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.939 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.1 -45.7 26.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.484 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 71.8 m -140.93 68.26 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.377 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.58 -171.22 32.46 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 117.115 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.508 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 31.4 tp10 -75.51 154.56 36.84 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 38.5 t -49.38 -58.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -50.52 -46.21 57.11 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.546 0.529 . . . . 0.0 111.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.1 mm100 -59.55 -43.4 93.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.496 0.665 . . . . 0.0 110.763 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD12 ' HG3' ' B' ' 6' ' ' LYS . 95.1 mt -67.61 -35.74 79.52 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.722 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 2' ' ' VAL . 14.0 mt-10 -61.8 -40.24 94.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 83.7 mttt -68.41 -34.6 76.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -72.41 -44.04 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.46 -43.68 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.44 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.393 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.19 -49.85 58.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' B' ' 12' ' ' LEU . . . -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.389 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.68 -41.45 90.72 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.518 0.511 . . . . 0.0 110.49 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.85 72.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.719 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 89.8 mt-10 -63.82 -50.11 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.084 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.09 -44.87 64.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.602 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.04 -39.36 85.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.709 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -78.0 -35.98 49.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.489 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.8 mt -58.61 -44.91 90.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.58 -43.25 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.386 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -63.89 -42.42 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -45.41 82.89 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.214 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG21 HG21 ' B' ' 23' ' ' VAL . 29.4 t -61.8 -45.99 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.37 84.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.74 -51.7 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.22 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 95.5 mt -61.83 -43.91 97.91 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.18 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.0 110.158 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -71.54 -36.35 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -70.19 -33.42 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.566 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.39 -46.79 30.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.63 125.33 1.03 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.053 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 122.854 -0.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 78.8 tt0 -84.21 143.35 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.553 0.216 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 48.6 t -58.38 -54.67 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -55.14 -41.32 71.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.251 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -64.75 -47.79 76.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.53 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 5' ' ' LEU . 89.6 mt -66.87 -36.54 82.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.968 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.497 ' HG3' HD12 ' A' ' 5' ' ' LEU . 57.7 mtpt -62.49 -41.21 98.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.32 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -67.72 -30.87 70.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -66.63 -45.35 79.34 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.517 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.1 t -57.69 -48.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.759 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.71 -39.73 94.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.391 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.683 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 12' ' ' ALA . 31.8 mt -61.51 -50.71 71.63 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -57.89 -34.87 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.383 0.135 . . . . 0.0 110.916 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.89 81.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.282 0.563 . . . . 0.0 109.893 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -46.4 66.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.211 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.73 -42.64 84.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.998 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.613 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 2.2 t80 -58.04 -50.78 72.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.182 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.24 87.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.24 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.424 ' O ' HG22 ' B' ' 23' ' ' VAL . . . -60.08 -39.78 87.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.767 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.32 -38.56 90.53 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 60.7 mm-40 -66.02 -37.94 87.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.467 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 4.1 mmtm -61.42 -45.79 92.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.714 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 23' ' ' VAL . 88.7 t -57.93 -48.24 84.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.137 0.494 . . . . 0.0 110.538 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.05 -39.14 89.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.01 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.379 0.609 . . . . 0.0 109.784 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -63.63 -36.95 85.52 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.72 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.462 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -38.69 91.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.154 0.502 . . . . 0.0 110.202 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -67.8 -45.15 75.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -74.02 -47.76 34.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.48 88.83 1.8 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.164 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.29 83.94 1.38 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.188 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 122.698 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -70.48 164.09 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.223 0.327 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 ' H ' HG21 ' A' ' 2' ' ' VAL . 10.7 t -55.21 -45.71 77.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.579 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.58 81.89 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.542 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.69 -47.19 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' B' ' 5' ' ' LEU . 91.2 mt -64.98 -39.62 93.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -61.01 -41.05 95.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -68.12 -34.82 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.071 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' HG2' HG12 ' B' ' 9' ' ' VAL . 3.3 tp10 -71.89 -45.81 59.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.02 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' B' ' 8' ' ' ARG . 59.2 t -62.44 -42.34 95.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -27.97 66.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.445 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -71.51 -48.32 49.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.297 0.57 . . . . 0.0 109.486 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -67.38 -43.24 81.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.466 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.49 -36.4 80.38 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.163 0.29 . . . . 0.0 111.1 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -53.68 50.09 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.735 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 12.2 tt0 -57.91 -51.98 67.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.136 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -53.04 -46.98 68.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -58.23 -41.04 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.964 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.6 -36.97 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.5 mt -67.24 -54.89 16.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.792 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.39 -27.77 68.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.449 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.29 -37.56 80.77 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 tt0 -72.57 -44.17 62.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.823 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.583 HG11 HD12 ' B' ' 26' ' ' LEU . 53.1 t -58.74 -49.99 80.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.921 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.91 86.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.37 -48.55 77.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.115 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 ' HB2' HD11 ' B' ' 26' ' ' LEU . 76.6 mt -62.38 -55.67 25.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' OE2' HD23 ' B' ' 26' ' ' LEU . 30.3 mm-40 -53.57 -47.9 69.67 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.689 0.281 . . . . 0.0 111.731 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -60.5 -51.36 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.588 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.97 -26.9 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.88 18.29 12.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.622 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.86 71.25 0.63 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.409 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 158.09 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.993 0.183 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 12.5 t -55.91 -55.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.4 ' OE1' ' HE3' ' B' ' 7' ' ' LYS . 4.8 tp-100 -57.73 -39.39 77.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.412 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -45.7 91.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.039 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.544 ' HB2' HD11 ' A' ' 5' ' ' LEU . 61.4 mt -65.91 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.4 mtpt -61.56 -41.39 97.3 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' OE1' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -68.32 -34.28 75.84 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.319 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.517 ' HG2' HG12 ' A' ' 9' ' ' VAL . 12.3 tpt180 -61.81 -43.02 99.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 8' ' ' GLU . 73.6 t -62.72 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.378 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.81 -41.31 90.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.764 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.81 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.851 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 36.4 mt -65.73 -52.37 51.79 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.605 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.87 -41.1 77.39 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.026 0.204 . . . . 0.0 111.246 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.99 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 110.332 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -72.32 -40.89 67.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.701 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.93 -40.59 96.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.788 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 1.1 t80 -57.56 -53.76 54.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.65 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.92 96.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.906 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.472 ' O ' HG22 ' B' ' 23' ' ' VAL . . . -61.1 -40.3 93.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.13 -37.92 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.828 0.347 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 62.0 mm-40 -71.99 -39.81 68.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 5.3 mmtp -57.31 -50.79 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.34 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 19' ' ' ALA . 76.0 t -54.73 -51.16 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.06 -33.02 73.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.703 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.96 75.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 26' ' ' LEU . 83.8 mt -65.76 -39.01 90.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.454 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -46.54 88.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.184 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -69.63 -47.3 63.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.17 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -72.24 -38.21 68.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 34.7 t -131.6 -73.08 0.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.773 0.32 . . . . 0.0 111.3 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.6 -153.19 17.21 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 O-C-N 122.463 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.976 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 73.2 tt0 -63.64 150.9 43.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.663 0.268 . . . . 0.0 111.056 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.446 HG23 HG21 ' B' ' 2' ' ' VAL . 47.8 t -54.67 -50.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.557 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.75 79.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.235 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.976 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 79.8 mm-40 -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 109.941 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' HG21 ' A' ' 9' ' ' VAL . 95.9 mt -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.478 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.93 -40.35 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 110.308 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -67.16 -40.82 86.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.747 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.63 -42.61 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG12 ' HG2' ' B' ' 8' ' ' ARG . 71.8 t -63.6 -42.09 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.41 66.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.589 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -70.29 -51.23 31.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.62 -43.47 89.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.313 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.83 -40.26 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.082 0.239 . . . . 0.0 111.202 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 18' ' ' GLN . . . -66.04 -46.9 76.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.792 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.6 mt-10 -63.45 -46.07 87.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.946 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -55.68 -41.05 73.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.011 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -58.42 -47.76 82.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.291 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 7.3 pt20 -75.23 -25.12 57.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.576 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 39.8 mt -68.7 -48.05 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.32 -33.65 76.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.069 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.93 -46.6 84.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.738 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -68.61 -46.01 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.045 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.7 t -57.5 -43.45 82.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.19 86.58 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -60.08 -48.53 81.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.857 HD12 ' HG3' ' B' ' 27' ' ' ARG . 93.6 mt -66.36 -48.23 70.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.613 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.756 ' HG2' HD12 ' B' ' 26' ' ' LEU . 6.1 mm-40 -60.63 -43.18 97.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.019 0.438 . . . . 0.0 110.74 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -62.34 -38.63 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.281 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.34 -31.65 58.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.622 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 m -67.32 -49.16 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 0.0 109.99 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.24 84.33 0.12 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.62 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 122.898 -0.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.35 148.85 38.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.539 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 43.1 t -54.28 -54.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.267 0.355 . . . . 0.0 110.683 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 41.7 tt0 -60.54 -43.26 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.198 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.67 78.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 5' ' ' LEU . 95.8 mt -71.62 -28.35 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.167 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.3 mtpt -65.18 -43.2 92.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -64.09 -35.32 80.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.114 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.463 ' HG2' HG12 ' A' ' 9' ' ' VAL . 11.8 tpt180 -64.6 -48.14 76.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.775 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 5' ' ' LEU . 75.4 t -57.48 -50.84 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -62.18 -40.19 95.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.269 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.24 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.176 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 51.6 mt -63.39 -50.62 69.16 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.955 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -56.7 -41.19 76.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.92 83.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 109.742 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -63.8 -42.98 97.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.452 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' B' ' 20' ' ' LYS . 2.9 m120 -62.63 -45.76 91.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.501 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.832 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.09 77.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.443 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -61.38 -39.57 91.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.643 ' HG3' HD12 ' A' ' 19' ' ' LEU . 97.7 mttt -63.31 -39.05 93.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.497 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 46.5 mm-40 -68.23 -33.88 75.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.5 OUTLIER -62.23 -44.32 96.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.815 178.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.41 HG21 ' O ' ' B' ' 19' ' ' ALA . 95.5 t -56.44 -52.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.547 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -67.32 -33.3 74.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -66.14 -44.57 83.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.254 0.55 . . . . 0.0 109.598 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.757 ' HB2' HD11 ' A' ' 26' ' ' LEU . 89.4 mt -66.72 -42.37 86.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.134 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.857 ' HG3' HD12 ' A' ' 26' ' ' LEU . 37.5 mtt-85 -67.76 -14.28 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.341 0.591 . . . . 0.0 110.851 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -88.97 -38.1 14.71 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.98 -45.71 17.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.224 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 31.1 m -122.44 9.53 9.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' B' ' 27' ' ' ARG . . . -86.57 170.39 42.26 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.025 -1.083 . . . . 0.0 111.763 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.422 ' HB2' ' HG2' ' A' ' 4' ' ' GLN . 43.5 mt-10 -85.65 171.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.856 0.36 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.561 HG11 HD13 ' B' ' 5' ' ' LEU . 64.6 t -63.45 -48.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.04 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.083 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' ' 1' ' ' GLU . 13.1 mm100 -62.12 -50.55 71.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.232 0.539 . . . . 0.0 110.162 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.53 HD13 HG11 ' B' ' 2' ' ' VAL . 78.3 mt -64.37 -34.99 79.43 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.813 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.7 -40.1 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.569 0.224 . . . . 0.0 110.418 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.12 -34.1 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -72.22 -39.56 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.921 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' B' ' 8' ' ' ARG . 43.3 t -66.38 -46.05 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.021 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.07 -50.89 64.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.706 0.765 . . . . 0.0 109.052 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -66.29 -44.28 83.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.628 ' HG3' HD12 ' B' ' 12' ' ' LEU . 26.9 mt-10 -64.61 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.279 0.362 . . . . 0.0 111.606 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.76 86.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 48.1 mt-10 -66.96 -48.65 67.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.567 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -51.87 -43.67 63.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -56.9 -44.4 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.76 -43.63 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.888 HD11 ' HB2' ' B' ' 19' ' ' ALA . 18.3 mt -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.83 -51.22 69.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.48 -33.42 75.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -71.08 -45.11 64.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -50.88 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.696 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.35 76.62 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.081 0.467 . . . . 0.0 110.73 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.6 -50.9 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HB2' HD11 ' B' ' 26' ' ' LEU . 94.7 mt -61.38 -46.08 91.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.812 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.567 ' HG2' HD12 ' B' ' 26' ' ' LEU . 5.2 mm-40 -60.09 -44.69 94.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.176 0.513 . . . . 0.0 110.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -66.18 -44.6 83.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.426 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -73.51 -22.81 60.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.1 t -79.72 -16.12 56.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.997 0.427 . . . . 0.0 110.39 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.98 -75.75 0.38 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.774 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.69 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 2.3 pm0 -83.32 168.71 16.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.308 . . . . 0.0 111.073 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.53 HG11 HD13 ' A' ' 5' ' ' LEU . 15.4 t -54.95 -54.88 19.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.985 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.545 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 61.1 tp60 -61.33 -30.89 70.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.653 0.263 . . . . 0.0 110.743 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.69 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -68.02 -47.15 69.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.106 0.479 . . . . 0.0 110.653 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 2' ' ' VAL . 92.8 mt -69.23 -26.13 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.636 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.545 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 62.9 mtpt -64.34 -38.73 92.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.3 mmmt -68.98 -35.34 76.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.164 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.656 ' HG3' HD13 ' B' ' 12' ' ' LEU . 29.8 tpt180 -64.4 -45.61 86.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.627 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG21 HG21 ' A' ' 9' ' ' VAL . 66.1 t -58.4 -49.87 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.656 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 10.6 mm-40 -62.8 -42.78 99.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.76 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.082 0.468 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.656 HD13 ' HG3' ' B' ' 8' ' ' ARG . 41.7 mt -74.11 -56.28 5.1 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.4 mptp? -53.17 -37.59 62.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.239 0.337 . . . . 0.0 111.717 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 10' ' ' GLN . . . -66.55 -44.24 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.081 0.467 . . . . 0.0 110.225 179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -39.85 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.766 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.2 -41.07 98.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -60.88 -46.23 91.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.37 78.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.888 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -63.05 -41.52 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.305 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.55 -44.72 93.16 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 110.808 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 60.8 mt-30 -66.16 -31.28 72.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -67.75 -44.62 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.72 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 19.3 pt20 -65.63 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.27 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -72.99 -42.85 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.327 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 26' ' ' LEU . 96.0 mt -65.48 -41.6 93.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.503 ' HG3' HD23 ' A' ' 26' ' ' LEU . 22.9 mtt-85 -68.89 -22.42 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.306 0.574 . . . . 0.0 110.576 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.43 -40.74 25.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.528 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -77.68 -46.39 22.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.71 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 71.3 m -141.12 61.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.494 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.69 24.69 7.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.074 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.606 0 O-C-N 122.921 -0.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -82.67 163.69 21.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.55 -51.75 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.201 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.24 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.723 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -65.94 -51.01 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.192 0.52 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' B' ' 5' ' ' LEU . 85.4 mt -59.6 -39.74 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.74 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.33 -40.98 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.473 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.37 -29.39 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -72.98 -40.91 64.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 HG21 HG21 ' B' ' 9' ' ' VAL . 50.7 t -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.483 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.97 -48.89 72.42 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.719 0.771 . . . . 0.0 109.265 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -65.83 -44.75 84.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.816 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' B' ' 12' ' ' LEU . 33.9 mm-40 -59.44 -39.07 82.37 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.481 0.488 . . . . 0.0 110.389 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.79 86.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.32 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.2 mt-10 -65.68 -50.07 66.24 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -51.25 -45.26 61.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.13 -43.0 77.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.609 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.49 -36.79 60.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.232 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' B' ' 19' ' ' ALA . 20.6 mt -64.22 -52.94 56.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.595 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.21 -37.7 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.432 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -43.39 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.189 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.717 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.574 HG21 HG21 ' B' ' 23' ' ' VAL . 24.7 t -61.25 -42.31 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.344 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.46 83.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.952 0.406 . . . . 0.0 110.014 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 8.1 tt0 -59.48 -50.15 75.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.459 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.596 HD12 ' HG3' ' B' ' 27' ' ' ARG . 91.6 mt -60.57 -50.4 73.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.63 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -57.11 -39.73 75.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -64.75 -38.51 91.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.679 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 5.4 mm-40 -78.04 -28.48 49.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.188 0.518 . . . . 0.0 110.916 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.6 m -68.37 -27.21 66.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.402 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.3 -66.6 2.15 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.09 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.578 0 O-C-N 122.663 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.861 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 39.8 tt0 -90.64 123.71 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.831 0.348 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 71.8 t -56.93 -54.13 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.87 -37.33 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.327 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.861 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -62.95 -49.17 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.164 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.459 ' HB2' HD11 ' A' ' 5' ' ' LEU . 84.9 mt -65.04 -36.17 83.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.8 mtpt -59.4 -45.41 91.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 0.0 110.273 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -31.93 72.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.691 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -64.58 -45.01 88.83 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.545 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 53.7 t -58.72 -50.07 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.408 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.53 -40.24 96.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.15 95.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 0.0 110.459 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.748 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 42.0 mt -66.42 -53.06 40.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -56.27 -34.67 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.174 0.296 . . . . 0.0 111.106 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -46.07 80.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.0 109.858 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.425 ' O ' ' HB1' ' B' ' 19' ' ' ALA . 18.7 tpt180 -69.7 -38.24 76.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.11 -39.85 95.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.053 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 50.1 t80 -60.32 -54.73 42.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.236 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.77 97.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.76 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -64.17 -41.56 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.554 ' HG3' HD12 ' A' ' 19' ' ' LEU . 55.8 mttm -60.46 -35.46 75.94 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.0 mm-40 -74.67 -39.69 61.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.87 -47.4 85.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.602 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 23' ' ' VAL . 68.1 t -57.22 -48.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.49 -36.31 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.02 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 110.373 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 26' ' ' LEU . 94.5 mt -62.27 -45.03 95.09 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.072 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 1.054 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 80.5 mtt180 -64.51 -27.67 69.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 111.272 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -78.74 -44.23 23.88 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.375 0.607 . . . . 0.0 110.017 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.06 -48.83 56.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.024 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.4 -21.57 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 1.054 ' HA3' ' HA ' ' B' ' 27' ' ' ARG . . . -38.79 -58.79 1.77 Allowed Glycine 0 C--N 1.337 0.638 0 O-C-N 123.389 0.431 . . . . 0.0 113.998 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 122.466 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.443 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 38.4 tt0 -79.95 157.96 26.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.209 0.318 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.5 t -51.57 -51.14 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.729 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.35 -42.25 81.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 110.778 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.443 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.6 mm100 -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.527 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 mt -65.73 -36.92 84.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.303 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.36 -39.46 93.21 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 92.3 mttt -67.34 -36.42 81.38 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.497 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -68.52 -40.99 80.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.742 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG12 HD13 ' B' ' 12' ' ' LEU . 50.8 t -65.34 -45.3 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -26.65 68.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.509 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -69.31 -51.47 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' HB1' ' HZ1' ' B' ' 13' ' ' LYS . . . -64.01 -39.15 93.47 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.072 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' B' ' 12' ' ' LEU . 37.6 mm-40 -61.29 -42.97 99.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.301 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.27 84.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.871 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.686 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.9 mt-10 -62.37 -49.68 74.59 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.725 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.58 -48.55 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.623 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.59 -42.31 78.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.018 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.12 -40.95 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.339 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 15.5 mt -62.36 -51.39 67.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.83 -41.47 91.39 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -68.4 -39.16 81.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tt0 -65.78 -40.9 92.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.812 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG11 HD13 ' B' ' 26' ' ' LEU . 40.7 t -59.68 -46.82 92.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.49 96.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -62.09 -47.4 84.82 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.484 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' B' ' 26' ' ' LEU . 40.9 mt -59.1 -46.21 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.88 -44.96 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 0.0 110.292 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -66.48 -43.2 86.05 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.645 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.675 0.274 . . . . 0.0 110.899 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.78 -45.59 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.881 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.96 131.18 2.14 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 O-C-N 122.806 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.865 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 38.0 tt0 -90.9 134.88 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.529 0.204 . . . . 0.0 110.522 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.78 -53.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.183 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -44.19 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 109.868 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.865 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -59.37 -46.35 88.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.437 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.475 ' O ' HG22 ' B' ' 9' ' ' VAL . 95.5 mt -67.82 -34.78 77.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.644 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -61.83 -41.83 98.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -69.42 -32.32 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.475 HG22 ' O ' ' B' ' 5' ' ' LEU . 76.9 t -59.39 -48.18 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.998 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.24 -36.01 82.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.435 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.59 85.7 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.178 0.513 . . . . 0.0 109.707 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 13' ' ' GLU . 34.9 mt -64.91 -46.78 80.26 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.001 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.433 ' HZ1' ' HB1' ' A' ' 12' ' ' ALA . 13.5 mptt -55.65 -40.69 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.123 0.264 . . . . 0.0 110.926 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.9 89.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.053 0.454 . . . . 0.0 110.548 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -70.17 -39.91 75.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.1 -44.98 95.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.193 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.0 -46.75 87.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.95 94.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.767 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -64.06 -43.34 95.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.665 ' HG3' HD12 ' A' ' 19' ' ' LEU . 48.9 mttm -59.31 -40.38 86.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.38 -42.32 88.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -60.05 -43.17 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.194 178.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.44 HG12 ' HG2' ' A' ' 22' ' ' GLU . 87.5 t -58.88 -52.33 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.808 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.25 -38.49 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.219 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.41 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.729 ' HB2' HD11 ' A' ' 26' ' ' LEU . 74.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.483 0.659 . . . . 0.0 110.198 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.533 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 12.6 ttt-85 -65.51 -31.42 72.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.087 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -80.43 -48.36 12.99 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.247 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -64.45 -44.67 90.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.819 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 t -129.13 -63.06 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.031 0.444 . . . . 0.0 111.422 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 125.38 -35.64 3.02 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.685 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 O-C-N 123.061 -0.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.668 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 75.0 tt0 -72.08 152.99 41.98 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.559 HG21 HG21 ' B' ' 2' ' ' VAL . 38.8 t -56.64 -50.74 72.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.329 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.905 0.384 . . . . 0.0 111.209 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.668 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.9 mm100 -63.83 -42.19 97.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.432 0.634 . . . . 0.0 110.178 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.8 mt -71.32 -35.23 71.15 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.983 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' HG2' HD12 ' B' ' 5' ' ' LEU . 22.7 mm-40 -65.21 -40.93 94.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.042 178.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -74.28 -19.62 60.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 0.0 109.674 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -80.69 -45.87 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.537 HG12 ' HG2' ' B' ' 8' ' ' ARG . 54.7 t -62.92 -45.25 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.9 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -27.3 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.777 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.42 -48.32 56.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -68.5 -44.83 73.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.738 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.808 ' HG2' HD12 ' B' ' 12' ' ' LEU . 5.0 mm-40 -57.52 -39.05 75.69 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.497 0.498 . . . . 0.0 110.868 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.11 66.83 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.251 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.735 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 61.6 mt-10 -64.11 -53.04 55.79 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.053 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -48.56 -48.65 38.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.477 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -41.72 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.86 -39.38 56.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 38.2 mt -57.51 -48.4 79.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.355 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.64 -42.5 98.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -38.84 92.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' HD13 ' A' ' 26' ' ' LEU . 45.8 tp10 -70.42 -46.43 63.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.676 HG21 HG21 ' B' ' 23' ' ' VAL . 47.6 t -59.32 -48.11 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.76 80.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -64.02 -50.48 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.658 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' B' ' 26' ' ' LEU . 93.0 mt -61.8 -45.29 94.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.408 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.672 ' HG2' HD12 ' B' ' 26' ' ' LEU . 47.9 mm-40 -62.17 -42.85 99.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.061 0.458 . . . . 0.0 110.577 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -64.39 -45.25 88.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.238 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 5.1 mm-40 -72.21 -26.61 62.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 111.41 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.7 t -79.97 -0.95 37.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.635 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.86 -14.84 58.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.239 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 122.725 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.844 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 5.4 tp10 -91.3 137.2 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.559 HG21 HG21 ' A' ' 2' ' ' VAL . 39.1 t -59.53 -52.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.512 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.24 -35.78 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.373 0.606 . . . . 0.0 110.591 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.844 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -69.5 -48.14 61.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.536 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 9' ' ' VAL . 95.3 mt -65.89 -34.7 78.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.532 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -61.81 -42.47 99.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.58 -32.53 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.828 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.602 ' HG3' HD13 ' B' ' 12' ' ' LEU . 32.3 tpt180 -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.543 HG22 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.383 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 3.5 mm100 -57.9 -43.9 86.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.78 -48.49 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.609 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.808 HD12 ' HG2' ' A' ' 13' ' ' GLU . 48.0 mt -59.72 -52.11 66.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HD3' HG11 ' B' ' 9' ' ' VAL . 1.6 mptm? -56.64 -36.98 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.003 0.189 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -70.14 -46.97 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.417 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.8 m120 -56.81 -40.55 76.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.46 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -60.42 -53.43 57.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.954 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.72 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -64.87 -42.64 94.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.511 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HG3' HD12 ' A' ' 19' ' ' LEU . 81.0 mttt -57.22 -41.68 79.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.29 -36.04 71.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.232 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.467 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -66.02 -43.99 86.03 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.676 HG21 HG21 ' A' ' 23' ' ' VAL . 78.7 t -57.35 -52.76 52.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.0 -33.49 76.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.46 -44.29 62.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.145 0.498 . . . . 0.0 110.569 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.672 HD12 ' HG2' ' A' ' 27' ' ' GLU . 95.6 mt -65.12 -43.71 91.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.782 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.5 OUTLIER -65.62 -26.4 67.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.179 0.514 . . . . 0.0 111.019 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -81.41 -39.79 24.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -82.34 -42.32 18.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.001 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -140.35 49.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.902 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' B' ' 27' ' ' ARG . . . -129.99 116.69 2.14 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.826 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 116.866 0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.624 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp10 -90.8 141.43 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.81 -44.91 99.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.7 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.46 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.2 mm100 -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 110.56 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 84.6 mt -63.43 -38.17 90.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -60.69 -44.11 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.43 -35.85 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.31 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -72.04 -43.33 65.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' B' ' 8' ' ' ARG . 52.4 t -63.41 -46.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.49 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.51 -52.16 14.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.338 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.71 ' HB1' HD11 ' B' ' 12' ' ' LEU . . . -64.9 -41.79 95.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.211 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG2' HD12 ' B' ' 12' ' ' LEU . 19.1 mm-40 -59.49 -46.45 88.77 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.14 0.275 . . . . 0.0 110.862 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.47 87.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.7 tt0 -58.34 -52.32 66.11 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.018 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.523 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 18.2 t-20 -54.18 -48.46 70.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -55.07 -43.98 74.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.508 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.66 -32.89 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 43.7 mt -67.28 -38.78 85.61 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 35.0 mt-10 -62.11 -48.52 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.353 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.13 -38.41 90.53 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.32 -44.38 96.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.759 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.87 -47.22 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.221 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.88 83.54 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.835 0.35 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 37.8 tt0 -59.71 -54.55 45.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.363 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' B' ' 26' ' ' LEU . 90.7 mt -59.42 -44.34 92.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' HD23 ' B' ' 26' ' ' LEU . 42.5 mm-40 -58.46 -45.04 89.42 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.319 0.58 . . . . 0.0 110.271 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -69.16 -50.14 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.867 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 77.4 mm-40 -61.22 -29.12 69.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.14 0.495 . . . . 0.0 111.399 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 t -66.88 -29.65 69.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.445 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.79 -12.74 80.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.547 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 O-C-N 122.446 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.821 ' HB3' ' HB2' ' B' ' 4' ' ' ALA . 2.7 mp0 -91.26 68.39 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.452 0.644 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.32 -47.68 91.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.444 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.593 HE21 ' HD3' ' B' ' 7' ' ' LYS . 47.7 tp60 -59.85 -41.82 92.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.379 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.821 ' HB2' ' HB3' ' B' ' 1' ' ' GLU . . . -62.19 -43.85 97.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.987 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 9' ' ' VAL . 93.2 mt -67.36 -33.06 74.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.471 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 51.2 mtpt -62.85 -40.46 97.52 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.593 ' HD3' HE21 ' B' ' 3' ' ' GLN . 11.6 mmmm -68.61 -34.29 75.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.606 ' HG2' HG12 ' A' ' 9' ' ' VAL . 13.0 tpt180 -63.8 -45.38 89.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.289 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.3 t -59.01 -49.04 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.259 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.4 -44.99 92.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.347 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.9 92.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.462 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.71 HD11 ' HB1' ' A' ' 12' ' ' ALA . 53.2 mt -64.52 -52.99 54.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.069 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.2 mptp? -55.96 -37.27 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.164 0.29 . . . . 0.0 111.066 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.45 99.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.017 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -73.19 -45.04 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.25 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.627 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.7 m120 -58.7 -40.78 84.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.87 -49.68 73.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.537 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.08 92.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.98 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -63.93 -44.82 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.733 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.601 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 mp0 -67.57 -23.78 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 109.615 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.1 tmtt? -76.27 -47.85 22.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.08 -47.22 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.601 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 2.6 pt20 -65.85 -39.77 91.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.817 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -64.04 -44.54 92.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.523 ' HB2' HD11 ' A' ' 26' ' ' LEU . 96.1 mt -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.44 ' HD2' HD23 ' A' ' 26' ' ' LEU . 1.4 tpt180 -65.89 -40.65 91.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.817 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 1.8 m-70 -77.06 -60.84 2.2 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 122.315 1.055 . . . . 0.0 109.944 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -53.12 -24.4 10.27 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 112.317 -2.22 . . . . 0.0 112.705 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.01 -46.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.1 -32.44 20.34 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.376 -0.44 . . . . 0.0 113.821 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 O-C-N 122.584 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.446 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 -75.9 158.24 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.71 -48.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.36 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.06 -39.39 74.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.388 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.0 mm100 -63.05 -46.85 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.516 0.674 . . . . 0.0 110.133 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' B' ' 5' ' ' LEU . 89.5 mt -65.36 -35.2 80.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.319 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -60.13 -42.11 94.08 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 91.5 mttt -64.53 -40.37 95.49 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.399 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -65.78 -45.73 81.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG11 HD13 ' B' ' 12' ' ' LEU . 56.5 t -62.49 -47.65 91.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' HB1' ' A' ' 14' ' ' ALA . . . -63.65 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.764 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 tp-100 -69.06 -45.46 70.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.681 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -67.5 -45.18 76.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.738 ' HG2' HD23 ' B' ' 12' ' ' LEU . 51.3 mt-10 -62.74 -36.41 82.94 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.451 0.47 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 10' ' ' ALA . . . -64.6 -47.73 77.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt-10 -60.77 -54.71 41.86 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.56 -48.73 27.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.458 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.53 -39.63 84.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.836 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -77.64 -31.37 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.536 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.2 mt -63.81 -46.43 85.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.75 -37.88 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -65.17 -45.28 85.55 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.048 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -64.3 -42.86 96.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.032 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG21 HG21 ' B' ' 23' ' ' VAL . 24.4 t -58.93 -47.68 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.081 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.16 83.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.487 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.629 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 60.0 tp60 -62.4 -54.92 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.483 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' B' ' 26' ' ' LEU . 96.5 mt -59.67 -41.15 89.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.05 -38.16 85.2 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.464 0.65 . . . . 0.0 109.784 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -72.84 -40.08 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.576 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 55.9 mm-40 -66.49 -37.51 85.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.304 0.573 . . . . 0.0 110.225 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 t -74.78 -52.45 11.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.477 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.75 111.83 1.11 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.981 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 O-C-N 122.637 -0.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.755 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 13.2 tp10 -91.33 130.37 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 48.5 t -65.26 -49.47 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.131 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.55 -40.66 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 110.164 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.755 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.56 -39.54 80.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.124 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.547 ' HB2' HD11 ' A' ' 5' ' ' LEU . 65.8 mt -78.39 -35.32 47.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.7 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.2 mtpt -59.97 -44.3 94.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.37 -33.22 74.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -64.04 -45.57 88.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 5' ' ' LEU . 72.3 t -59.07 -47.62 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.54 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -62.67 -42.16 99.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.254 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.738 HD23 ' HG2' ' A' ' 13' ' ' GLU . 42.6 mt -67.87 -52.68 33.76 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.624 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -54.06 -38.31 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.249 0.343 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -46.66 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.149 0.5 . . . . 0.0 109.674 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.26 -43.03 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.236 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.7 m120 -61.01 -42.86 99.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.467 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -45.67 90.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -64.38 -34.87 79.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.08 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 19' ' ' LEU . . . -78.34 -37.45 44.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -60.75 -47.17 87.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.552 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.427 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.4 pt20 -65.82 -26.65 67.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.843 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.8 mmmm -67.7 -48.16 67.34 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.529 HG21 HG21 ' A' ' 23' ' ' VAL . 62.5 t -57.92 -48.61 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.158 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.502 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -68.38 -47.97 65.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.536 ' HB2' HD11 ' A' ' 26' ' ' LEU . 93.3 mt -62.82 -43.39 98.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.611 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 6.1 ttt85 -69.0 -19.62 64.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.071 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -85.89 -46.47 10.56 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -68.41 -47.62 66.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.313 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 89.2 m -137.86 71.04 1.39 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.714 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.88 167.04 39.44 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.691 0 O-C-N 122.557 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.583 ' H3 ' HG22 ' B' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.234 0.259 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -92.81 99.56 12.21 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.202 0.525 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.551 HG21 HG21 ' B' ' 2' ' ' VAL . 44.7 t -75.57 -36.19 33.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.17 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.701 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.81 -45.85 91.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.279 0.561 . . . . 0.0 110.659 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.712 HD12 ' HG3' ' B' ' 6' ' ' LYS . 49.8 mt -67.68 -33.24 74.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 51.4 mm-40 -60.31 -41.03 92.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.58 -38.31 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.095 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -67.89 -44.05 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.405 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.512 HG22 HD21 ' B' ' 5' ' ' LEU . 59.2 t -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 6' ' ' GLU . . . -65.74 -24.97 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.935 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -69.87 -51.97 28.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -66.48 -43.84 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.643 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' HD23 ' B' ' 12' ' ' LEU . 29.4 mm-40 -56.49 -43.46 79.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.474 0.484 . . . . 0.0 111.277 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -49.54 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.716 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.686 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 49.4 mt-10 -66.86 -45.44 78.14 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.485 0.491 . . . . 0.0 109.959 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.49 -44.61 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.213 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.55 -34.47 70.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.135 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.8 mt -67.02 -50.08 63.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.42 -41.57 89.83 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.075 0.464 . . . . 0.0 109.887 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.34 -41.4 96.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.56 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HG2' HG12 ' B' ' 23' ' ' VAL . 3.4 tp10 -72.15 -41.99 66.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.8 t -59.53 -49.66 82.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.637 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.61 72.58 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.457 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.29 -51.03 71.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.648 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.018 HD12 ' HG3' ' B' ' 27' ' ' ARG . 94.8 mt -62.55 -43.7 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' B' ' 26' ' ' LEU . 5.3 mm-40 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.442 0.639 . . . . 0.0 109.832 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -67.49 -43.93 79.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.6 -33.77 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 49.9 t -71.86 -39.78 69.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.641 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.35 149.0 23.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.388 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 6.8 pt-20 -90.41 168.52 11.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.602 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.583 HG22 ' H3 ' ' A' ' 0' ' ' ACE . 14.9 t -58.28 -51.9 65.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.057 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.87 -36.52 74.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.453 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.01 -45.95 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.487 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 9' ' ' VAL . 88.1 mt -67.69 -33.21 74.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.147 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.712 ' HG3' HD12 ' A' ' 5' ' ' LEU . 60.6 mtpt -61.76 -40.17 94.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -70.32 -34.65 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -63.28 -44.61 94.61 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.318 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.64 HG11 ' HE3' ' B' ' 13' ' ' LYS . 76.4 t -58.04 -53.96 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.677 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.33 -39.05 81.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.27 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 109.89 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 35.7 mt -66.04 -49.36 67.97 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.64 ' HE3' HG11 ' B' ' 9' ' ' VAL . 19.8 mmtp -59.29 -41.73 89.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 111.096 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.79 73.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.121 0.486 . . . . 0.0 110.318 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -80.45 -39.8 27.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.793 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.05 -41.42 99.48 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.272 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -60.63 -47.49 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.317 0.579 . . . . 0.0 109.69 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.65 89.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.871 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.552 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -62.15 -42.07 98.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.291 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.94 -41.21 95.82 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.497 ' O ' ' HB1' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -69.21 -31.76 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.692 178.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mtpp -67.25 -46.3 74.14 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' A' ' 22' ' ' GLU . 90.1 t -55.92 -49.03 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 16.7 pt20 -68.77 -30.99 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.641 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' B' ' 21' ' ' GLN . . . -77.56 -44.19 29.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.889 0.376 . . . . 0.0 110.246 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.699 ' HB2' HD11 ' A' ' 26' ' ' LEU . 95.1 mt -62.3 -43.29 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.195 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 1.018 ' HG3' HD12 ' A' ' 26' ' ' LEU . 35.7 mtt-85 -64.95 -29.62 70.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -76.74 -43.4 37.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.0 109.799 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.517 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 38.5 ttpt -73.08 -46.89 48.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.354 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 82.5 m -142.06 79.74 1.68 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.111 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.79 -117.32 3.9 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.135 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 122.743 -0.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.647 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 2.1 tp10 -71.47 152.05 43.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.7 HG21 HG21 ' B' ' 2' ' ' VAL . 21.4 t -52.18 -53.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.216 0.322 . . . . 0.0 111.134 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.71 75.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 111.268 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.647 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 8.5 mm100 -57.09 -47.46 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.548 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.55 -41.54 96.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.869 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -59.44 -40.96 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.49 -32.07 70.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.258 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -73.62 -41.61 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.077 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.691 HG12 ' HG2' ' B' ' 8' ' ' ARG . 55.6 t -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.688 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.6 -26.76 67.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.983 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -70.11 -49.78 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.375 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.727 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -68.57 -40.76 80.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.591 ' HG2' HD12 ' B' ' 12' ' ' LEU . 33.3 mm-40 -57.32 -41.82 80.65 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.407 0.442 . . . . 0.0 110.649 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -52.02 65.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.35 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.733 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 66.2 mt-10 -61.27 -47.6 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.79 -43.9 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.531 0.52 . . . . 0.0 110.839 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.19 -43.84 92.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.129 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.39 -36.58 76.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.211 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' B' ' 19' ' ' ALA . 21.0 mt -66.1 -54.3 27.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.391 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -58.77 -40.24 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.69 -41.47 99.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.214 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HG2' HG12 ' B' ' 23' ' ' VAL . 25.3 tp10 -70.87 -45.6 64.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.349 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' B' ' 22' ' ' LYS . 36.5 t -57.81 -48.02 84.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.615 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.38 -45.7 76.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.977 0.418 . . . . 0.0 110.433 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -62.13 -53.15 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.764 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 89.5 mt -60.07 -47.21 86.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.964 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.609 ' HG2' HD12 ' B' ' 26' ' ' LEU . 6.5 mm-40 -61.39 -41.4 97.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -67.22 -42.04 84.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.222 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.91 -35.8 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.976 0.417 . . . . 0.0 110.747 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.54 -41.26 80.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.972 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.83 36.22 4.54 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.977 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 O-C-N 122.9 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.742 ' HB3' ' HB1' ' B' ' 4' ' ' ALA . 32.9 tp10 -90.53 122.3 33.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 110.571 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 2' ' ' VAL . 64.8 t -54.61 -57.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.214 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.554 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 40.9 tt0 -57.61 -41.47 81.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.742 ' HB1' ' HB3' ' B' ' 1' ' ' GLU . . . -56.68 -48.79 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.716 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.526 ' O ' HG22 ' B' ' 9' ' ' VAL . 96.4 mt -65.74 -32.29 73.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 60.8 mtpt -64.26 -39.94 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -66.8 -36.65 82.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.212 178.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.691 ' HG2' HG12 ' A' ' 9' ' ' VAL . 21.5 tpt180 -63.69 -46.04 87.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.598 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.526 HG22 ' O ' ' B' ' 5' ' ' LEU . 71.4 t -58.15 -49.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 8.4 mm-40 -65.93 -36.73 84.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.316 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.78 90.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.193 0.521 . . . . 0.0 109.771 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' ' 12' ' ' ALA . 33.3 mt -65.09 -51.13 63.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 5.5 mptp? -55.5 -38.05 68.65 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.493 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.53 95.13 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.263 0.554 . . . . 0.0 110.238 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -73.84 -45.79 49.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.421 ' HA ' HD13 ' A' ' 19' ' ' LEU . 3.7 m120 -59.13 -46.23 88.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.93 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 2.2 t80 -58.54 -41.64 85.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.63 -46.42 31.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.345 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' ' 19' ' ' LEU . . . -60.78 -39.72 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.642 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.474 ' HG3' HD12 ' A' ' 19' ' ' LEU . 87.3 mttt -59.71 -40.64 88.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.363 . . . . 0.0 110.477 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.94 -33.61 70.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 7.4 mmtt -64.18 -48.31 76.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.771 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.54 HG11 ' HD2' ' B' ' 27' ' ' ARG . 63.0 t -55.7 -49.22 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 110.582 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -65.49 -37.36 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.01 68.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.436 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.4 mt -63.4 -42.53 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.824 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.585 ' HG3' HD12 ' A' ' 26' ' ' LEU . 27.3 mtt-85 -67.28 -25.83 66.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.985 0.421 . . . . 0.0 110.984 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -81.21 -42.12 21.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.204 0.526 . . . . 0.0 109.858 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -75.04 -43.37 53.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.301 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 73.0 m -144.61 81.17 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.563 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.52 109.54 0.76 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.109 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.864 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 33.4 tt0 -81.22 144.1 31.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.79 -47.35 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.927 0.394 . . . . 0.0 111.514 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.864 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 85.7 mm-40 -65.72 -48.25 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.578 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.64 -38.53 85.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.042 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -60.24 -42.85 96.13 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.09 -33.22 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.8 -44.15 70.63 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.545 HG12 ' HG2' ' B' ' 8' ' ' ARG . 55.5 t -63.89 -45.98 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.467 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.78 68.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.976 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -67.82 -48.65 65.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -69.52 -43.94 72.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.588 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG2' HD12 ' B' ' 12' ' ' LEU . 22.7 mm-40 -55.05 -43.61 73.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.55 0.531 . . . . 0.0 111.314 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.24 60.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.721 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.789 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 58.8 mt-10 -63.95 -49.75 71.35 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.184 179.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -51.4 -46.48 62.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.429 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 42.9 t80 -55.88 -44.56 78.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -70.2 -42.78 71.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.999 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 26.9 mt -58.55 -52.55 65.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.326 -179.192 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -60.5 -41.74 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 85.7 mt-30 -64.83 -42.89 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.308 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG2' HG12 ' B' ' 23' ' ' VAL . 8.5 tp10 -64.34 -44.93 89.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.799 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -57.66 -46.81 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.181 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.67 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.223 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -55.72 31.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.377 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' B' ' 26' ' ' LEU . 78.5 mt -58.42 -48.43 80.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HG2' HD12 ' B' ' 26' ' ' LEU . 30.2 mm-40 -60.23 -42.52 95.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.305 0.574 . . . . 0.0 111.469 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -69.17 -31.24 69.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.054 -178.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -90.69 -28.53 18.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.821 0.343 . . . . 0.0 111.501 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.8 t -84.5 -32.91 23.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.362 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.29 47.21 0.64 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.09 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 122.84 -0.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.565 ' CG ' ' HB1' ' B' ' 4' ' ' ALA . 7.9 pt-20 -85.08 173.87 10.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.469 0.176 . . . . 0.0 111.231 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.91 -54.08 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -60.98 -36.28 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.708 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.565 ' HB1' ' CG ' ' B' ' 1' ' ' GLU . . . -66.84 -47.13 72.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.215 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.25 -37.05 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.079 -178.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.36 -38.57 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.71 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -72.9 -31.94 65.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.563 ' HG3' HD13 ' B' ' 12' ' ' LEU . 23.3 tpt180 -65.34 -42.2 93.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.604 HG11 ' HE3' ' B' ' 13' ' ' LYS . 70.7 t -58.94 -53.67 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.732 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -58.65 -41.75 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.0 96.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 0.0 110.38 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 33.9 mt -67.08 -51.93 48.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.379 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.604 ' HE3' HG11 ' B' ' 9' ' ' VAL . 16.7 mmtp -57.12 -39.33 74.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 110.594 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.96 79.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -76.26 -44.48 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.713 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.31 -47.35 83.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.13 -46.08 89.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.22 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.281 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -62.47 -39.79 94.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.816 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.709 ' HG3' HD12 ' A' ' 19' ' ' LEU . 96.8 mttt -60.41 -37.45 80.88 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.69 0.281 . . . . 0.0 111.029 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -28.63 57.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.6 mmtm -68.87 -48.64 62.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 177.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.584 HG12 ' HG2' ' A' ' 22' ' ' GLU . 83.1 t -55.03 -48.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.736 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.12 -40.78 96.94 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.252 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.727 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -65.05 -46.95 79.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 26' ' ' LEU . 87.2 mt -63.32 -29.75 71.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.719 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.774 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -64.9 -47.18 78.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.785 178.596 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . 0.727 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 4.2 m-70 -68.59 -53.88 20.04 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-O 121.772 0.796 . . . . 0.0 109.632 178.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -44.33 -33.56 1.67 Allowed 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 112.763 -2.017 . . . . 0.0 111.374 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 m -155.45 -70.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.41 -68.66 2.38 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.236 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 122.749 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.73 150.58 42.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.47 -47.14 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.603 0.24 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.24 77.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 111.144 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -61.21 -49.82 75.61 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.155 179.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' B' ' 5' ' ' LEU . 89.6 mt -63.63 -37.77 88.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.714 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.411 178.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.12 -31.47 70.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.375 0.607 . . . . 0.0 110.154 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -74.45 -44.94 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.217 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.37 -44.04 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.57 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.836 178.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -65.96 -51.88 54.61 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -66.61 -43.6 84.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.371 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.726 ' HG2' HD12 ' B' ' 12' ' ' LEU . 4.3 mm-40 -57.79 -39.18 76.93 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.308 0.38 . . . . 0.0 111.702 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.24 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.362 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 52.8 mt-10 -62.55 -52.15 64.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.34 -46.92 47.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.235 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -56.16 -40.48 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.121 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -83.28 -28.75 28.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.804 -179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.7 mt -66.57 -52.66 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.47 -37.44 83.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.254 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -65.65 -44.05 87.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.892 179.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' HG2' HG12 ' B' ' 23' ' ' VAL . 13.9 tp10 -66.28 -44.5 83.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.296 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.3 t -57.81 -46.1 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.234 179.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.71 82.67 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.0 tt0 -58.03 -50.95 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.691 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 79.5 mt -64.83 -46.06 83.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.219 -179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.648 ' HG2' HD12 ' B' ' 26' ' ' LEU . 29.5 mm-40 -59.89 -38.95 83.71 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.206 0.527 . . . . 0.0 110.114 178.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -68.48 -37.79 80.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.972 179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 66.5 mm-40 -68.32 -38.04 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.312 0.577 . . . . 0.0 109.709 178.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 m -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.601 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.33 65.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.162 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 122.577 -0.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.743 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 2.1 pm0 -80.62 167.94 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.486 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.9 t -52.16 -56.69 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.123 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.58 -28.84 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.049 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.743 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -68.67 -45.56 71.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.13 0.49 . . . . 0.0 110.532 179.267 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.499 ' HB2' HD11 ' A' ' 5' ' ' LEU . 89.7 mt -72.35 -34.98 68.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.727 -179.452 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 62.3 mtpt -58.25 -46.16 86.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.104 179.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.94 -32.0 72.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.011 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.605 ' HG3' HD13 ' B' ' 12' ' ' LEU . 32.5 tpt180 -65.06 -42.29 94.35 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.583 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 56.1 t -60.5 -51.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.595 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.54 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.583 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.27 81.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.726 HD12 ' HG2' ' A' ' 13' ' ' GLU . 43.0 mt -63.27 -53.04 59.12 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.716 179.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.583 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 2.9 mptp? -56.33 -36.83 69.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.317 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.66 88.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.176 0.512 . . . . 0.0 110.279 179.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -71.93 -42.65 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -59.93 -47.24 86.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.369 179.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.34 -45.92 76.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.453 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.92 66.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.68 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.48 83.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.952 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HG3' HD12 ' A' ' 19' ' ' LEU . 97.1 mttt -59.45 -38.94 82.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 110.381 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.1 mmmt -62.95 -51.65 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.498 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.539 HG12 ' HG2' ' A' ' 22' ' ' GLU . 87.0 t -54.21 -49.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.35 -36.44 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.97 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.478 . . . . 0.0 110.624 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 85.4 mt -66.29 -42.71 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.712 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.654 ' HG3' HD12 ' A' ' 26' ' ' LEU . 37.8 mtt180 -66.07 -21.76 66.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.308 0.575 . . . . 0.0 110.841 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -78.82 -32.84 46.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.317 0.579 . . . . 0.0 110.169 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -89.02 -42.95 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.62 -179.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -135.27 56.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.2 30.82 0.27 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.593 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.451 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.4 tp10 -71.54 159.41 34.5 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.158 0.286 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.503 HG11 HD13 ' B' ' 5' ' ' LEU . 17.1 t -53.13 -53.38 22.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.77 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 111.05 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 99.4 mm-40 -58.65 -48.77 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.682 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 97.2 mt -61.68 -42.85 99.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' B' ' 5' ' ' LEU . 40.9 mm-40 -58.22 -41.2 83.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.006 0.431 . . . . 0.0 110.516 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -36.29 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.123 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.64 -39.86 80.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.699 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG21 HG21 ' B' ' 9' ' ' VAL . 54.0 t -62.4 -47.24 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.874 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -69.82 -52.0 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.558 0.694 . . . . 0.0 109.323 179.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.795 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -63.91 -41.8 97.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' HG2' HD12 ' B' ' 12' ' ' LEU . 5.3 mm-40 -59.41 -40.86 88.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.22 83.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.287 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.693 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 14.1 mt-10 -63.11 -51.12 67.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.25 178.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -51.48 -46.36 63.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.936 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.59 -41.52 81.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.993 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -75.53 -36.68 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 35.5 mt -60.72 -48.54 81.32 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.71 -43.64 88.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.381 178.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG2' HG12 ' B' ' 23' ' ' VAL . 23.5 tp10 -64.56 -46.74 81.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.745 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' B' ' 22' ' ' LYS . 40.6 t -60.44 -48.17 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.665 179.202 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.34 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.779 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.14 -47.0 84.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.302 179.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 26' ' ' LEU . 81.3 mt -63.09 -47.14 84.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -58.34 -41.43 84.64 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.513 0.673 . . . . 0.0 110.43 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.037 -179.092 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -79.51 -31.75 42.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.22 -43.06 68.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.043 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.42 73.77 2.46 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.331 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 122.705 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.558 ' HG2' ' HB1' ' B' ' 4' ' ' ALA . 11.3 pm0 -82.09 164.8 21.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.87 0.366 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 41.8 t -57.67 -48.88 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.185 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.581 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 47.2 tt0 -59.01 -39.84 83.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.888 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.558 ' HB1' ' HG2' ' B' ' 1' ' ' GLU . . . -56.84 -49.06 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.995 179.522 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 2' ' ' VAL . 96.0 mt -69.15 -33.21 73.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.652 -179.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.9 mtpt -64.19 -40.26 95.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.949 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.6 -35.93 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -64.02 -45.89 86.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.526 178.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.498 HG21 HG21 ' A' ' 9' ' ' VAL . 76.3 t -60.57 -47.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.108 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.44 ' O ' ' HB1' ' B' ' 14' ' ' ALA . 98.6 mm-40 -62.24 -40.16 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.368 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.38 75.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 0.0 110.1 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 12' ' ' ALA . 53.7 mt -62.55 -53.16 58.76 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -56.09 -36.82 68.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.954 -0.112 . . . . 0.0 110.766 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 10' ' ' GLN . . . -65.29 -43.43 91.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 109.98 178.58 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -67.07 -44.58 79.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 109.264 178.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.476 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.425 ' HD1' ' NE2' ' B' ' 21' ' ' GLN . 2.6 t80 -61.12 -45.91 92.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -72.33 -41.27 66.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.574 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.457 ' HG3' HD12 ' A' ' 19' ' ' LEU . 56.1 mttm -57.92 -49.3 77.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.53 0.205 . . . . 0.0 111.493 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.425 ' NE2' ' HD1' ' B' ' 17' ' ' TYR . 12.7 pt20 -65.46 -29.23 69.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -67.39 -43.44 81.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.815 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.549 HG21 ' O ' ' B' ' 19' ' ' ALA . 89.5 t -59.33 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.068 178.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -61.95 -37.15 83.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.68 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.668 ' HB2' HD11 ' A' ' 26' ' ' LEU . 96.2 mt -65.33 -36.98 85.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.589 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.587 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.27 -37.67 87.91 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.459 0.647 . . . . 0.0 109.475 178.308 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -70.36 -44.89 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.029 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.72 -63.94 0.69 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 82.85 -65.51 4.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.825 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.608 0 O-C-N 122.73 -0.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.861 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 44.7 tt0 -91.34 144.27 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.451 0.167 . . . . 0.0 110.592 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.793 HG11 HD13 ' B' ' 5' ' ' LEU . 43.5 t -59.47 -43.8 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.474 ' H ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.89 -43.26 90.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.861 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 94.7 mm-40 -59.93 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.495 0.664 . . . . 0.0 110.001 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' B' ' 6' ' ' LYS . 93.9 mt -63.92 -38.4 90.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.703 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -58.85 -40.62 84.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.222 178.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 93.3 mttt -69.05 -36.34 77.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.94 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.46 -40.82 70.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.475 179.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' B' ' 8' ' ' ARG . 69.5 t -65.41 -46.52 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -24.61 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.485 178.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -70.93 -52.66 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 109.45 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' B' ' 12' ' ' LEU . . . -67.18 -45.1 77.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.789 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.656 ' HG3' HD12 ' B' ' 12' ' ' LEU . 19.3 mt-10 -57.54 -40.27 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -52.25 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.681 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 3.0 tt0 -57.15 -50.06 73.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.887 178.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -51.2 -50.22 59.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.417 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -36.58 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.448 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.71 -34.04 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.792 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.1 mt -64.54 -53.08 53.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.15 -27.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.63 0.252 . . . . 0.0 110.545 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.36 -41.04 70.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.604 ' HG2' HG12 ' B' ' 23' ' ' VAL . 20.8 tp10 -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.698 HG12 HD13 ' B' ' 26' ' ' LEU . 53.4 t -59.11 -49.84 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.165 178.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.79 95.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.854 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.76 -51.57 69.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.584 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.764 HD12 ' HG3' ' B' ' 27' ' ' ARG . 73.6 mt -60.0 -47.45 85.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.39 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG2' HD12 ' B' ' 26' ' ' LEU . 5.6 mm-40 -62.05 -44.07 97.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 110.772 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -62.11 -46.01 90.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.111 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -71.4 -28.38 63.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.45 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -76.69 -50.49 13.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.304 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.96 54.82 0.1 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.115 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.77 163.5 17.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.812 0.339 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.645 HG21 HG21 ' A' ' 2' ' ' VAL . 55.2 t -55.0 -52.73 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.5 -32.94 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.592 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.39 81.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.017 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.793 HD13 HG11 ' A' ' 2' ' ' VAL . 82.8 mt -70.13 -36.64 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.371 -179.414 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.569 ' HG3' HD12 ' A' ' 5' ' ' LEU . 50.2 mtpt -59.91 -43.04 95.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' B' ' 7' ' ' LYS . 0.2 OUTLIER -67.2 -29.53 69.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.963 178.372 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.626 ' HG3' HD13 ' B' ' 12' ' ' LEU . 20.9 tpt180 -68.15 -47.43 68.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.15 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.86 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.36 -42.43 86.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.12 81.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.456 179.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 13' ' ' GLU . 36.7 mt -62.2 -54.59 38.71 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.314 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.09 -36.91 68.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.508 0.194 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.12 93.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.272 178.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -73.15 -40.08 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.663 178.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.478 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -59.95 -48.96 79.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.153 179.367 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.508 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -58.94 -43.39 91.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.048 179.289 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -47.58 72.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.503 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -60.38 -33.93 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.157 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' B' ' 16' ' ' ASN . 98.5 mttt -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 73.5 mm-40 -74.41 -33.25 62.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.626 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.9 mmmm -62.07 -45.42 93.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.694 177.634 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.604 HG12 ' HG2' ' A' ' 22' ' ' GLU . 59.5 t -55.75 -50.91 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.171 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.98 -41.06 97.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.49 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.73 89.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.907 -179.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.75 ' HB2' HD11 ' A' ' 26' ' ' LEU . 85.4 mt -67.35 -40.72 85.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.764 ' HG3' HD12 ' A' ' 26' ' ' LEU . 28.9 mtt-85 -67.37 -25.68 66.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.239 0.543 . . . . 0.0 109.865 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -75.84 -43.09 47.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.989 178.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.26 -49.25 76.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.969 179.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 54.8 m -136.33 -81.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.729 179.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 113.76 -97.41 0.85 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.504 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 122.71 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.62 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.2 tp10 -70.24 154.49 41.85 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.295 0.372 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.499 HG21 HG21 ' B' ' 2' ' ' VAL . 48.0 t -54.59 -49.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.064 179.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.11 80.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.311 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.62 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.2 mm100 -65.82 -44.09 86.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.395 0.617 . . . . 0.0 109.877 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HA ' HD21 ' A' ' 5' ' ' LEU . 73.0 mt -66.87 -36.14 81.65 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.235 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.565 ' HG2' HD12 ' B' ' 5' ' ' LEU . 32.8 mm-40 -64.29 -41.7 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.566 178.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -71.34 -22.16 61.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.092 0.473 . . . . 0.0 109.857 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -80.24 -42.72 22.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG12 ' CG ' ' B' ' 8' ' ' ARG . 54.7 t -62.89 -45.1 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.63 69.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.611 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.79 -51.01 37.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' B' ' 12' ' ' LEU . . . -62.53 -41.75 99.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.218 179.198 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.91 -37.41 82.15 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.499 0.5 . . . . 0.0 111.269 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.1 85.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.279 0.562 . . . . 0.0 110.233 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 19.5 tp10 -68.35 -48.78 63.93 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.172 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -53.39 -45.78 69.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.2 -43.58 78.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.491 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -71.07 -30.96 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.941 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 41.7 mt -68.62 -51.03 46.68 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.56 -37.11 80.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.237 179.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.47 -43.6 89.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.523 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.9 tp10 -66.67 -47.64 71.86 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.949 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.0 t -57.27 -46.8 85.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.681 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.18 85.05 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.229 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.26 -53.17 48.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.76 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD11 ' HB2' ' B' ' 26' ' ' LEU . 64.2 mt -56.86 -46.75 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.353 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.47 -41.55 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.371 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.18 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -73.79 -25.58 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 110.295 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' B' ' 30' ' ' CYS . 52.6 t -81.1 -29.06 34.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.298 179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.9 63.73 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.933 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 122.882 -0.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 -90.83 173.01 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.419 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.499 HG21 HG21 ' A' ' 2' ' ' VAL . 51.2 t -56.31 -54.19 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.219 179.33 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.11 -32.6 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.41 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -65.98 -44.23 85.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.565 HD12 ' HG2' ' A' ' 6' ' ' GLU . 98.6 mt -74.61 -34.59 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.717 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.58 0.229 . . . . 0.0 110.516 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.82 -31.69 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.471 ' CG ' HG12 ' A' ' 9' ' ' VAL . 22.8 tpt180 -65.41 -44.98 85.73 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 5' ' ' LEU . 86.6 t -61.06 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.179 178.662 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -62.25 -36.79 83.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.67 80.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 110.103 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 12' ' ' ALA . 25.1 mt -62.33 -48.69 78.73 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.338 179.22 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.24 -38.92 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.0 0.188 . . . . 0.0 111.397 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.53 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.26 0.552 . . . . 0.0 109.74 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -67.49 -39.51 85.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.489 179.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.55 -42.19 95.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.529 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.57 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.994 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 19' ' ' LEU . . . -69.74 -39.99 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -61.65 -47.17 86.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.315 . . . . 0.0 110.872 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 1.5 pt20 -68.39 -27.7 66.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 14.2 mttp -65.5 -46.77 78.39 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.009 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' B' ' 27' ' ' ARG . 70.4 t -54.42 -50.51 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.158 178.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.08 -41.99 98.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.262 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.54 71.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.788 ' HB2' HD11 ' A' ' 26' ' ' LEU . 88.9 mt -62.08 -40.88 97.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.735 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 12.0 ttt180 -65.89 -38.58 89.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.74 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -72.66 -45.01 61.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.87 -41.99 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.683 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 88.8 m -136.69 -63.25 0.62 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.903 -179.384 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.735 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 100.29 -147.04 17.94 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.36 -179.166 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.602 0 O-C-N 122.706 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 1.088 ' HB3' ' HG3' ' A' ' 4' ' ' GLN . 14.4 tp10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.555 0.217 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 t -57.15 -49.11 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.43 76.78 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 1.088 ' HG3' ' HB3' ' A' ' 1' ' ' GLU . 37.9 mt-30 -63.75 -46.91 83.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.118 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 HG13 ' B' ' 2' ' ' VAL . 89.3 mt -64.25 -37.83 88.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.615 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -64.29 -40.96 97.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.848 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -72.23 -23.48 61.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 109.714 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.13 -42.5 26.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.2 t -62.79 -43.15 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.18 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.833 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -71.73 -50.62 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.13 -44.36 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.744 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -58.55 -43.38 89.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.545 0.528 . . . . 0.0 111.093 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.36 86.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.75 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 98.4 mt-10 -66.01 -50.13 65.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.76 -48.03 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.934 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.77 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 51.1 t80 -55.8 -43.45 76.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.773 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.88 -41.65 67.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.918 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 19.7 mt -57.41 -47.29 82.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.214 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.19 -34.95 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.77 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 91.3 mm-40 -66.87 -46.13 75.94 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.272 0.558 . . . . 0.0 109.662 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.35 -44.19 79.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.43 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 HG22 ' B' ' 23' ' ' VAL . 33.2 t -60.58 -47.46 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.32 87.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.054 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.61 -51.26 58.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' B' ' 26' ' ' LEU . 86.1 mt -58.83 -39.42 81.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 0.0 110.42 178.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 6.9 tp10 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' LEU . 42.5 t -57.26 -53.89 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.18 -38.61 73.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.468 . . . . 0.0 110.431 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -65.1 -49.14 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.229 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 97.1 mt -63.89 -34.38 77.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -67.75 -30.45 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.692 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -65.73 -45.18 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 74.2 t -60.07 -47.89 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.155 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 97.8 mm-40 -63.25 -40.84 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.373 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.43 92.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 109.747 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.1 mt -63.53 -51.86 63.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.282 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -56.58 -37.77 71.06 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.286 0.366 . . . . 0.0 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.83 97.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.841 0.353 . . . . 0.0 110.336 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -74.44 -37.61 63.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.951 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.18 -45.18 89.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.507 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 0.3 OUTLIER -59.16 -44.58 92.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.268 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.8 71.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.556 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.49 -43.72 96.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.68 -46.25 81.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -62.31 -38.84 90.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.2 mmmm -62.49 -48.43 79.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' B' ' 19' ' ' ALA . 42.6 t -58.36 -48.31 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.673 0.273 . . . . 0.0 111.314 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.82 -30.6 68.15 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.999 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.77 75.95 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 26' ' ' LEU . 96.8 mt -69.75 -32.99 71.82 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.293 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -27.52 66.25 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.703 0.763 . . . . 0.0 109.165 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -80.37 -42.5 22.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.771 0.795 . . . . 0.0 108.968 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.244 -179.079 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 41.3 tp10 . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.622 0.248 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.28 -53.25 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.58 -38.15 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.578 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 70.0 mm-40 -63.99 -48.2 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.325 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.4 mt -65.06 -36.46 84.42 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.531 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.76 -42.12 92.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.23 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -67.05 -33.82 76.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.36 0.6 . . . . 0.0 109.888 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.89 -42.67 60.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.693 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.65 -44.39 98.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.53 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.541 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -66.04 -53.61 36.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.645 0.736 . . . . 0.0 109.113 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -64.85 -43.89 91.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.722 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.39 -47.47 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.18 0.3 . . . . 0.0 111.445 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 93.0 mt-10 -65.47 -49.76 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.103 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -52.35 -45.55 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.29 -40.77 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.799 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -73.42 -39.69 64.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.303 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 13.4 mt -62.75 -48.57 78.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.71 -37.18 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.702 0.287 . . . . 0.0 110.253 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.85 -45.15 93.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.99 -45.12 78.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.371 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 HD11 ' B' ' 26' ' ' LEU . 36.4 t -56.61 -44.38 80.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.283 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.65 95.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.12 -50.55 72.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mt -62.51 -47.11 85.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.633 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HG2' HD13 ' B' ' 26' ' ' LEU . 6.6 mm-40 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.376 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.553 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 54.8 t -55.87 -50.28 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -62.09 -37.36 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.39 98.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 9' ' ' VAL . 85.3 mt -69.95 -31.95 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.23 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.3 mtpt -61.46 -39.24 90.15 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.7 -35.06 79.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.62 -46.15 83.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.532 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 91.9 t -57.45 -50.37 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.643 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.0 -40.94 90.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.36 77.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.2 mt -63.18 -52.57 61.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.248 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.3 mptp? -56.95 -36.37 70.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.054 0.221 . . . . 0.0 110.576 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.07 99.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.231 0.538 . . . . 0.0 109.73 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.8 -46.25 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.891 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.9 m120 -57.48 -45.19 85.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.833 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -60.22 -44.06 95.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.89 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.385 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.468 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.21 -39.07 91.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -60.9 -36.31 78.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.182 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -69.44 -41.66 76.0 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.038 -0.726 . . . . 0.0 109.038 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.637 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 26.8 mmmt -57.84 -49.68 75.84 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.857 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.0 t -52.93 -54.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.228 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.252 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.39 72.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.722 0.296 . . . . 0.0 111.038 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 83.5 mt -67.11 -37.46 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.555 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.7 mtp85 -66.37 -32.02 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.296 0.569 . . . . 0.0 109.556 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -75.65 -45.4 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' B' ' 26' ' ' LEU . 84.1 tttt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.34 -56.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.457 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -53.56 -44.56 69.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.169 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.6 mm100 -55.71 -52.32 64.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 93.4 mt -61.72 -41.95 98.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.842 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.08 -41.93 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 9.2 mtpm? -70.06 -36.7 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.498 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.46 -39.18 81.51 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 51.9 t -64.48 -49.36 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.183 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.5 70.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.5 -47.5 72.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.96 -45.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.852 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.63 -44.44 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.624 0.578 . . . . 0.0 110.634 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -61.48 -50.42 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.28 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 96.9 mt-10 -61.21 -49.15 78.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.116 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.433 HD21 ' HG2' ' B' ' 15' ' ' ARG . 13.6 t-20 -50.14 -48.64 53.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.839 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.348 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 80.5 mt-30 -71.02 -43.18 68.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 16.8 mt -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.315 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.146 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 68.2 mt-30 -65.64 -41.72 92.31 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.0 tp10 -67.81 -45.88 73.5 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.565 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 HD11 ' B' ' 26' ' ' LEU . 52.3 t -56.91 -49.16 79.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.396 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -64.83 -48.3 74.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.661 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 80.4 mt -61.46 -45.61 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.312 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.053 0.454 . . . . 0.0 111.079 179.252 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.805 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 39.2 tp10 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.4 t -57.27 -51.41 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.471 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 38.1 tt0 -58.68 -43.24 89.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.286 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.805 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.88 -43.02 80.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.255 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -70.12 -34.77 73.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.195 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 59.1 mtpt -63.01 -40.91 99.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 11.5 mmmm -69.18 -36.1 76.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -61.74 -44.57 96.64 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 77.2 t -59.5 -53.8 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.278 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -57.36 -39.02 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.139 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.12 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -70.88 -50.33 36.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' B' ' 9' ' ' VAL . 53.2 mmtt -57.23 -39.19 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.839 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.32 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.125 0.488 . . . . 0.0 110.781 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.433 ' HG2' HD21 ' A' ' 16' ' ' ASN . 26.0 ttt180 -84.57 -41.4 16.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.42 0.629 . . . . 0.0 109.629 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -60.56 -46.84 88.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.039 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 11.0 t80 -59.51 -49.08 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.628 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.87 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.475 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.56 -38.73 91.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HG3' HD13 ' A' ' 19' ' ' LEU . 92.8 mttt -65.37 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.56 0.219 . . . . 0.0 110.619 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.6 mm-40 -73.59 -37.09 65.58 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.2 mtpp -63.22 -45.13 93.09 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.692 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 19' ' ' ALA . 94.4 t -53.54 -51.44 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.928 0.394 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.08 -41.66 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.698 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.91 65.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.512 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.697 HD11 HG13 ' A' ' 23' ' ' VAL . 69.1 mt -62.63 -39.24 93.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -66.42 -33.68 76.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.151 0.5 . . . . 0.0 109.906 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.29 -41.76 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.747 0.784 . . . . 0.0 109.158 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.936 179.628 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.575 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.8 tp10 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.68 -51.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.286 0.366 . . . . 0.0 110.774 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -33.97 69.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.604 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.8 mm100 -71.34 -41.81 69.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.596 0.712 . . . . 0.0 110.182 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 60.0 mt -69.43 -34.95 75.18 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.426 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -61.84 -40.11 94.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.9 ptpt -72.93 -25.97 61.23 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.218 0.532 . . . . 0.0 109.717 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -75.83 -42.92 48.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.231 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 78.2 t -63.8 -43.52 97.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.152 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.94 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.674 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -66.01 -53.5 37.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.22 -42.3 93.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.29 -46.03 76.2 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.516 0.51 . . . . 0.0 111.327 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.08 79.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.1 mt-10 -63.48 -46.91 83.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.196 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -52.33 -45.79 65.76 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.72 -41.64 95.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.27 -38.17 71.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 17.4 mt -61.38 -46.26 90.92 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.3 -44.14 92.56 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.51 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.2 -40.77 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.315 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 18.6 tp10 -64.39 -45.87 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 52.0 t -60.08 -48.89 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.603 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.35 83.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.921 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.22 -53.16 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.413 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 76.3 mt -61.43 -44.36 97.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.32 0.581 . . . . 0.0 110.125 178.542 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 6.2 tp10 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.713 0.292 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 60.1 t -56.16 -55.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.604 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -57.41 -40.61 78.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.141 0.496 . . . . 0.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -61.0 -46.77 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.159 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -65.07 -32.56 74.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.245 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.8 mtpt -64.11 -42.58 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.17 -32.09 71.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.918 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -63.87 -46.21 85.97 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 5' ' ' LEU . 70.7 t -58.75 -47.71 88.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.099 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.75 -43.46 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.85 99.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 109.99 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 12' ' ' ALA . 30.1 mt -64.29 -53.4 49.55 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.176 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -37.82 68.69 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.125 0.265 . . . . 0.0 111.395 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.16 88.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.63 -41.92 71.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.655 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 3.6 m120 -61.23 -36.51 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.196 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -63.67 -49.89 71.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.83 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.17 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.873 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -66.78 -37.73 85.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 4.8 tttm -60.7 -52.77 63.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.636 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -68.84 -26.56 65.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.677 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.2 mttp -63.52 -46.03 87.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.1 t -56.79 -48.55 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.471 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.12 -33.62 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.77 74.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 95.8 mt -64.5 -43.63 93.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.325 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.537 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.2 mtt-85 -65.54 -22.88 66.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -76.62 -47.07 23.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.573 -179.797 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.6 tp10 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -53.5 -52.2 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.045 0.215 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.91 74.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.34 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.8 mm100 -64.55 -43.82 92.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.361 0.601 . . . . 0.0 110.203 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 2' ' ' VAL . 77.1 mt -66.71 -37.68 85.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.094 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -62.42 -42.66 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.59 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 18.4 ptpt -73.14 -25.23 60.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.233 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -75.53 -38.41 59.36 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -64.95 -46.22 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.865 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -31.81 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.536 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -64.42 -50.84 66.01 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.785 0.802 . . . . 0.0 108.985 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.25 -41.88 93.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.02 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.79 -43.1 90.42 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.357 0.411 . . . . 0.0 110.896 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.61 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.691 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 tt0 -57.39 -51.77 68.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.152 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.05 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.534 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 21.9 t80 -58.97 -37.57 77.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.003 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.8 -34.56 69.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.642 0.258 . . . . 0.0 110.617 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.7 mt -67.64 -49.69 61.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.552 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.62 -35.44 77.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.768 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.4 mt-30 -62.59 -41.92 99.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -66.92 -50.65 61.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.428 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.67 -51.7 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.751 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.51 78.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -62.47 -47.43 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' B' ' 26' ' ' LEU . 88.7 mt -62.27 -44.36 96.71 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.315 -0.924 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.691 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.2 pm0 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 5' ' ' LEU . 53.7 t -56.09 -55.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.035 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 53.0 tt0 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.354 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -62.57 -47.09 85.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 111.014 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.2 mt -69.43 -28.96 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 63.0 mtpt -64.18 -40.07 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.6 mmmt -69.19 -34.49 74.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -62.09 -44.31 96.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.105 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.9 t -62.62 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.596 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 96.5 mm-40 -64.79 -41.06 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.349 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.39 98.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 0.0 109.846 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 12' ' ' ALA . 44.4 mt -67.76 -50.03 59.3 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.406 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -54.24 -42.32 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.35 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.176 0.512 . . . . 0.0 110.358 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -70.34 -42.05 72.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.834 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.529 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.1 m120 -61.64 -47.03 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.98 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.66 -47.56 84.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.989 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.49 -37.34 82.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.812 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.551 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -73.49 -43.38 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 19' ' ' LEU . 91.4 mttt -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.36 -28.43 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.428 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 12.5 mtpt -70.75 -45.72 64.28 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 19' ' ' ALA . 61.7 t -56.0 -50.68 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.98 0.419 . . . . 0.0 110.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.11 -40.61 98.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.573 ' HA ' ' ND1' ' B' ' 28' ' ' HIS . . . -63.37 -44.96 93.26 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 90.0 mt -61.72 -35.15 77.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -55.08 39.72 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.899 178.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.573 ' ND1' ' HA ' ' B' ' 25' ' ' ALA . 0.4 OUTLIER -66.94 -52.09 47.22 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.463 0.649 . . . . 0.0 110.913 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 N--CA 1.44 -0.933 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.422 -176.059 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.602 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.2 tp10 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.02 -51.41 71.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.502 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -54.88 -43.91 73.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.602 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.4 mm100 -58.44 -48.76 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.158 0.504 . . . . 0.0 110.599 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' B' ' 2' ' ' VAL . 70.0 mt -63.39 -37.23 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.21 -39.43 90.2 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 82.6 mttt -68.36 -39.83 81.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.37 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.3 -41.21 90.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.241 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.03 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.949 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 4.7 tp60 -67.31 -51.67 49.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.118 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -61.29 -41.55 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.315 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.72 -39.6 92.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.549 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.2 74.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.555 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.768 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 82.2 mt-10 -57.08 -54.59 45.07 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -50.39 -44.27 54.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.565 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -61.74 -42.06 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.329 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 22.5 mt -62.1 -53.24 58.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.685 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.47 -40.81 92.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.471 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -44.46 91.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.457 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.1 tp10 -65.93 -41.97 90.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.821 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG13 HD11 ' B' ' 26' ' ' LEU . 25.4 t -60.16 -45.04 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.183 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.71 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.39 -50.28 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.44 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB2' HD13 ' B' ' 26' ' ' LEU . 45.0 mt -62.98 -47.66 82.19 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.464 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 179.572 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.791 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 8.1 tp10 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.002 0.429 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 5' ' ' LEU . 47.0 t -58.46 -51.92 65.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.677 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 0.8 OUTLIER -57.16 -41.77 79.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.514 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.791 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.51 -42.81 88.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.583 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 9' ' ' VAL . 94.9 mt -73.21 -32.09 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.6 mtpt -63.03 -37.69 88.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.459 . . . . 0.0 110.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.68 -36.36 80.55 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -64.48 -46.22 83.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.912 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 5' ' ' LEU . 93.5 t -58.9 -47.8 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.797 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.561 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.688 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 12' ' ' ALA . 33.1 mt -68.97 -54.06 17.36 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.527 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -52.87 -39.83 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.6 91.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.867 0.365 . . . . 0.0 110.554 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.99 -39.2 76.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.609 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -62.2 -42.26 99.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.309 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.9 t80 -57.48 -51.1 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.55 89.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.58 -36.88 85.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.452 ' HG3' HD13 ' A' ' 19' ' ' LEU . 90.9 mttt -65.47 -34.11 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 75.4 mm-40 -69.28 -34.34 74.58 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.8 mtpt -64.47 -45.59 86.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.282 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.3 t -59.16 -48.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.576 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 16.8 pt20 -68.29 -31.84 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.093 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.59 68.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 109.583 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 87.2 mt -64.67 -36.97 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.713 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.86 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -74.04 -42.18 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.288 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.319 -179.153 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t -51.84 -52.38 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.235 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.49 77.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.67 -50.89 69.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 110.108 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.68 -39.32 87.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.163 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.63 -40.71 95.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.28 -33.93 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.766 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -70.38 -45.45 66.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.297 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.22 -44.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -28.4 68.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -69.61 -49.73 51.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.105 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.81 -44.42 81.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.426 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -57.96 -44.5 87.08 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.568 0.223 . . . . 0.0 111.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.67 66.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 6.1 tt0 -57.11 -46.96 82.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.109 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.66 -44.56 81.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.14 -42.0 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.657 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.09 -41.42 81.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.6 mt -60.78 -55.98 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.992 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' B' ' 15' ' ' ARG . 69.5 mm-40 -59.85 -35.91 75.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 3.2 tp60 -64.39 -45.01 89.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.137 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -68.22 -41.95 80.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.968 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.98 -47.32 90.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.012 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.91 88.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.273 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -57.33 -46.97 82.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HB2' HD13 ' B' ' 26' ' ' LEU . 95.4 mt -65.92 -54.46 26.17 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.355 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' OE2' HD21 ' B' ' 26' ' ' LEU . 35.8 mm-40 . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.751 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.4 tp10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.536 0.208 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.04 -59.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.693 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 4.1 tp-100 -58.61 -37.37 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.751 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.47 -46.12 89.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.037 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.7 mt -66.42 -33.99 76.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 59.2 mtpt -62.7 -41.9 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -68.85 -34.52 75.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.6 t -63.16 -50.43 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.603 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 99.1 mm-40 -57.74 -37.06 72.94 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.442 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -48.99 55.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.6 mt -61.12 -49.52 76.95 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -58.63 -35.95 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.917 0.136 . . . . 0.0 111.094 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.47 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.197 0.523 . . . . 0.0 110.045 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 20' ' ' GLU . 14.4 tpt180 -75.69 -38.84 58.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.549 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -63.25 -46.31 87.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.023 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.493 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 25.8 t80 -58.05 -48.49 79.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.506 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.57 -46.28 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.546 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.5 -37.16 80.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.37 -39.37 94.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.5 mm-40 -67.24 -33.05 74.51 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 24.0 mmmt -64.14 -50.57 67.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.694 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.8 t -55.62 -50.15 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.862 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.05 -31.52 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.988 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.87 61.74 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.195 0.521 . . . . 0.0 109.976 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.4 mt -63.75 -46.84 83.51 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.039 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 23.5 mtt-85 -66.71 -20.66 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.395 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -82.08 -44.31 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 34.5 ttpt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.517 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.0 tp10 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.7 t -53.49 -52.97 27.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.014 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.56 71.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 111.583 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 11.4 mm100 -66.12 -44.78 83.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.69 . . . . 0.0 110.323 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 77.7 mt -66.07 -37.82 86.76 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -63.13 -44.18 96.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.733 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -71.42 -24.52 62.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -78.42 -39.86 37.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.599 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' LEU . 39.3 t -61.73 -46.8 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.14 70.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.694 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -71.9 -46.4 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.685 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.89 -46.11 86.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.229 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -59.72 -36.06 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.709 0.631 . . . . 0.0 110.226 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.18 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.717 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.8 mt-10 -65.68 -51.95 55.39 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.59 -49.27 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.201 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 26.2 t80 -56.31 -38.44 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -78.38 -41.88 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mt -56.42 -49.24 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.13 -38.25 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.614 0.245 . . . . 0.0 111.275 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.0 mt-30 -67.94 -44.11 77.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 109.924 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -64.18 -43.04 96.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.749 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 26' ' ' LEU . 20.5 t -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.16 80.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.727 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.85 -48.51 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.375 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' B' ' 26' ' ' LEU . 95.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 111.203 179.584 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.7 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 12.1 pt-20 . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.878 0.37 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 8.2 t -57.65 -51.09 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.806 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -57.79 -37.88 74.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.136 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.7 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -64.88 -46.42 81.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.942 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 95.8 mt -67.52 -33.82 75.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.679 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 61.9 mtpt -63.95 -41.46 97.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -63.02 -47.32 83.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 5' ' ' LEU . 64.7 t -60.58 -47.95 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.329 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 64.5 mm-40 -63.84 -39.97 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.351 0.596 . . . . 0.0 109.594 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 12' ' ' ALA . 29.6 mt -68.65 -49.82 56.13 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.928 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -55.2 -41.61 72.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.56 93.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.833 0.349 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.67 -42.01 64.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.145 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.72 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.375 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 5.5 t80 -59.62 -51.74 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.674 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.27 97.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.299 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.41 -29.36 70.44 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.608 0.242 . . . . 0.0 110.73 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.2 mm-40 -77.52 -42.52 35.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.667 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 25.0 mtpp -58.78 -45.87 88.83 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.063 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.9 t -53.06 -53.04 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 123.2 0.313 . . . . 0.0 110.756 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -65.73 -38.99 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.36 83.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 70.0 mt -64.82 -40.73 95.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.048 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.412 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 2.9 mtp-105 -64.65 -34.47 78.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.254 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -75.41 -45.27 39.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.231 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.324 -179.54 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.633 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 27.3 tp10 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.4 -51.8 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.297 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.22 79.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.98 0.419 . . . . 0.0 111.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 9.2 mm100 -62.97 -47.94 81.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.364 0.602 . . . . 0.0 109.933 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' B' ' 5' ' ' LEU . 85.0 mt -61.17 -40.08 92.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.009 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -59.86 -43.75 94.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.084 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.415 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.93 -43.04 36.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.665 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -62.32 -47.63 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.56 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.622 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 11' ' ' GLN . 3.0 tp60 -72.19 -49.71 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.636 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.44 -39.95 92.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.758 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.489 ' OE2' HD21 ' B' ' 12' ' ' LEU . 17.9 mm-40 -59.3 -42.17 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.213 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.67 96.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.239 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.4 mt-10 -64.7 -51.41 62.56 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 14.9 t-20 -52.98 -45.32 67.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.398 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.79 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.69 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 1.4 pp0? -80.0 -26.62 39.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 14.5 mt -64.19 -36.79 85.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 16' ' ' ASN . 5.4 mm-40 -62.66 -47.39 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -64.67 -41.25 96.2 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.049 0.452 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' OE2' HG11 ' B' ' 23' ' ' VAL . 7.7 tt0 -63.29 -42.81 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 HD11 ' B' ' 26' ' ' LEU . 24.1 t -67.28 -45.43 86.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.42 82.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.967 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.03 -51.88 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.635 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 83.8 mt -64.36 -42.17 96.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.587 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.477 179.142 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.728 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.2 pt-20 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.796 0.331 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 65.3 t -58.39 -53.09 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.974 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 62.9 tt0 -59.44 -36.26 75.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.487 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.728 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.53 -47.44 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.45 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.8 mt -72.96 -34.19 66.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.238 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.3 mtpt -62.08 -41.48 98.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 21.0 mmmt -70.39 -31.03 68.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 24.1 tpt180 -65.47 -43.21 91.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.424 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 5' ' ' LEU . 65.9 t -59.46 -47.33 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.87 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.8 -43.24 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.382 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.54 96.91 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 12' ' ' ALA . 40.2 mt -65.92 -56.12 13.39 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 12' ' ' ALA . 5.2 mptp? -54.73 -40.6 69.42 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.252 0.548 . . . . 0.0 109.933 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 0.3 OUTLIER -69.75 -41.87 74.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.93 178.613 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -60.91 -42.71 98.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.24 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.55 -43.46 98.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.812 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -67.08 -36.98 83.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.439 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -71.39 -36.46 71.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.191 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -63.62 -43.52 96.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.633 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.688 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 10.2 pt20 -71.79 -18.68 62.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.649 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mmmt -72.56 -49.31 33.39 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 19' ' ' ALA . 46.5 t -55.78 -51.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.752 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.688 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 14.4 pt20 -65.76 -31.39 72.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.656 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.7 -42.8 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.231 0.539 . . . . 0.0 109.639 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 92.5 mt -64.85 -44.09 90.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.667 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.635 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 89.4 mtt180 -64.53 -24.21 67.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.031 0.443 . . . . 0.0 110.824 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -79.07 -41.48 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.939 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttp . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.484 -179.245 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 31.4 tp10 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.601 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 38.5 t -49.38 -58.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -50.52 -46.21 57.11 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.546 0.529 . . . . 0.0 111.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.543 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.1 mm100 -59.55 -43.4 93.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.496 0.665 . . . . 0.0 110.763 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.463 HD11 HG13 ' B' ' 2' ' ' VAL . 95.1 mt -67.61 -35.74 79.52 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.722 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 2' ' ' VAL . 14.0 mt-10 -61.8 -40.24 94.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 83.7 mttt -68.41 -34.6 76.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -72.41 -44.04 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.46 -43.68 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.44 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.393 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.19 -49.85 58.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.389 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.68 -41.45 90.72 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.518 0.511 . . . . 0.0 110.49 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.85 72.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.738 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 89.8 mt-10 -63.82 -50.11 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.084 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.09 -44.87 64.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.602 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.04 -39.36 85.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.709 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -78.0 -35.98 49.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.489 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.8 mt -58.61 -44.91 90.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.58 -43.25 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.386 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.89 -42.42 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -45.41 82.89 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.214 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG13 HD11 ' B' ' 26' ' ' LEU . 29.4 t -61.8 -45.99 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.37 84.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.74 -51.7 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.22 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 95.5 mt -61.83 -43.91 97.91 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.0 110.158 179.091 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 78.8 tt0 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.553 0.216 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.463 HG13 HD11 ' A' ' 5' ' ' LEU . 48.6 t -58.38 -54.67 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.414 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 32.0 tt0 -55.14 -41.32 71.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.251 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -64.75 -47.79 76.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.53 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.6 mt -66.87 -36.54 82.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.968 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.7 mtpt -62.49 -41.21 98.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.32 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 13.2 mptt -67.72 -30.87 70.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -66.63 -45.35 79.34 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.1 t -57.69 -48.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.759 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.71 -39.73 94.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.391 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.683 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.612 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 31.8 mt -61.51 -50.71 71.63 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -57.89 -34.87 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.383 0.135 . . . . 0.0 110.916 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.89 81.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.282 0.563 . . . . 0.0 109.893 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -46.4 66.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.211 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.73 -42.64 84.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.998 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 2.2 t80 -58.04 -50.78 72.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.182 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.24 87.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.24 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.08 -39.78 87.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.767 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.32 -38.56 90.53 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 60.7 mm-40 -66.02 -37.94 87.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 4.1 mmtm -61.42 -45.79 92.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.714 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 19' ' ' ALA . 88.7 t -57.93 -48.24 84.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.137 0.494 . . . . 0.0 110.538 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -66.05 -39.14 89.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.01 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.379 0.609 . . . . 0.0 109.784 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -63.63 -36.95 85.52 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.72 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.473 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -38.69 91.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.154 0.502 . . . . 0.0 110.202 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -67.8 -45.15 75.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.375 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 t -55.21 -45.71 77.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.579 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.58 81.89 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.542 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.69 -47.19 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.2 mt -64.98 -39.62 93.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -61.01 -41.05 95.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -68.12 -34.82 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.071 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.89 -45.81 59.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.02 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD11 ' B' ' 12' ' ' LEU . 59.2 t -62.44 -42.34 95.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -27.97 66.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.445 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -71.51 -48.32 49.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.297 0.57 . . . . 0.0 109.486 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.558 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.38 -43.24 81.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.466 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.49 -36.4 80.38 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.163 0.29 . . . . 0.0 111.1 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -53.68 50.09 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.749 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 12.2 tt0 -57.91 -51.98 67.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.136 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.412 HD21 ' HG2' ' B' ' 15' ' ' ARG . 21.9 t-20 -53.04 -46.98 68.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 17.1 t80 -58.23 -41.04 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.964 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.6 -36.97 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.5 mt -67.24 -54.89 16.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.792 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.39 -27.77 68.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.449 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 28.9 tp60 -68.29 -37.56 80.77 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 tt0 -72.57 -44.17 62.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.823 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 53.1 t -58.74 -49.99 80.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.921 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.91 86.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.37 -48.55 77.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.115 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 76.6 mt -62.38 -55.67 25.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.689 0.281 . . . . 0.0 111.731 179.539 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 12.5 t -55.91 -55.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.73 -39.39 77.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -45.7 91.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.039 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 61.4 mt -65.91 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.4 mtpt -61.56 -41.39 97.3 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.32 -34.28 75.84 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.81 -43.02 99.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.6 t -62.72 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.378 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.81 -41.31 90.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.764 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.81 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.851 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.4 mt -65.73 -52.37 51.79 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.605 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.87 -41.1 77.39 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.026 0.204 . . . . 0.0 111.246 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.99 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 110.332 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 19.5 ttt180 -72.32 -40.89 67.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.701 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.425 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.0 m120 -61.93 -40.59 96.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.788 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 1.1 t80 -57.56 -53.76 54.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.65 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.92 96.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.906 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.478 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.1 -40.3 93.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.13 -37.92 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.828 0.347 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 62.0 mm-40 -71.99 -39.81 68.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 5.3 mmtp -57.31 -50.79 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.34 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 19' ' ' ALA . 76.0 t -54.73 -51.16 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.06 -33.02 73.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.703 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.96 75.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 83.8 mt -65.76 -39.01 90.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.454 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -46.54 88.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.184 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -69.63 -47.3 63.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.17 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.798 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 1.006 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 73.2 tt0 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.663 0.268 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.67 -50.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.557 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.75 79.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.235 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 1.006 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 79.8 mm-40 -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 109.941 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 9' ' ' VAL . 95.9 mt -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.478 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.93 -40.35 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 110.308 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -67.16 -40.82 86.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.747 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.63 -42.61 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' LEU . 71.8 t -63.6 -42.09 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.41 66.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.589 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -70.29 -51.23 31.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.62 -43.47 89.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.313 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.83 -40.26 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.082 0.239 . . . . 0.0 111.202 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 18' ' ' GLN . . . -66.04 -46.9 76.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.806 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.6 mt-10 -63.45 -46.07 87.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.946 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -55.68 -41.05 73.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.011 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -58.42 -47.76 82.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.291 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 7.3 pt20 -75.23 -25.12 57.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.576 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 39.8 mt -68.7 -48.05 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.32 -33.65 76.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.069 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.93 -46.6 84.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.738 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' B' ' 23' ' ' VAL . 4.2 tp10 -68.61 -46.01 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.045 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.488 HG13 HD11 ' B' ' 26' ' ' LEU . 32.7 t -57.5 -43.45 82.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.19 86.58 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -60.08 -48.53 81.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.6 mt -66.36 -48.23 70.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.613 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 N--CA 1.469 0.5 0 CA-C-O 121.019 0.438 . . . . 0.0 110.74 179.451 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 43.1 t -54.28 -54.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.267 0.355 . . . . 0.0 110.683 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 41.7 tt0 -60.54 -43.26 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.198 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.67 78.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -71.62 -28.35 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.167 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.3 mtpt -65.18 -43.2 92.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -64.09 -35.32 80.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.114 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -64.6 -48.14 76.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.775 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.4 t -57.48 -50.84 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -62.18 -40.19 95.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.269 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.24 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.176 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.614 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 51.6 mt -63.39 -50.62 69.16 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.955 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -56.7 -41.19 76.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.92 83.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 109.742 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -63.8 -42.98 97.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.452 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -62.63 -45.76 91.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.832 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.09 77.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.38 -39.57 91.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.31 -39.05 93.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.497 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 46.5 mm-40 -68.23 -33.88 75.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.553 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.5 OUTLIER -62.23 -44.32 96.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.815 178.211 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 22' ' ' GLU . 95.5 t -56.44 -52.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.547 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -67.32 -33.3 74.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.14 -44.57 83.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.254 0.55 . . . . 0.0 109.598 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 89.4 mt -66.72 -42.37 86.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.134 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.5 mtt-85 -67.76 -14.28 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.341 0.591 . . . . 0.0 110.851 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -88.97 -38.1 14.71 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.224 -179.001 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 4' ' ' GLN . 43.5 mt-10 . . . . . 0 CA--C 1.513 -0.446 0 CA-C-O 120.856 0.36 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.45 -48.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.04 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.083 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.438 ' HG2' ' HB2' ' A' ' 1' ' ' GLU . 13.1 mm100 -62.12 -50.55 71.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.232 0.539 . . . . 0.0 110.162 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 HG13 ' B' ' 2' ' ' VAL . 78.3 mt -64.37 -34.99 79.43 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.813 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.7 -40.1 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.569 0.224 . . . . 0.0 110.418 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.12 -34.1 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 33.0 tp10 -72.22 -39.56 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.921 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -66.38 -46.05 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.021 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 52.5 tp60 -65.07 -50.89 64.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.706 0.765 . . . . 0.0 109.052 178.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.29 -44.28 83.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 8' ' ' ARG . 26.9 mt-10 -64.61 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.279 0.362 . . . . 0.0 111.606 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.76 86.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.761 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 48.1 mt-10 -66.96 -48.65 67.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.567 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -51.87 -43.67 63.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -56.9 -44.4 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.76 -43.63 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.83 -51.22 69.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.48 -33.42 75.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -71.08 -45.11 64.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -50.88 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.696 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.35 76.62 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.081 0.467 . . . . 0.0 110.73 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.6 -50.9 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 94.7 mt -61.38 -46.08 91.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.812 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.176 0.513 . . . . 0.0 110.403 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.639 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.3 pm0 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.748 0.308 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 5' ' ' LEU . 15.4 t -54.95 -54.88 19.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.985 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.566 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 61.1 tp60 -61.33 -30.89 70.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.653 0.263 . . . . 0.0 110.743 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.02 -47.15 69.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.106 0.479 . . . . 0.0 110.653 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.478 ' O ' HG23 ' B' ' 9' ' ' VAL . 92.8 mt -69.23 -26.13 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.636 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.566 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 62.9 mtpt -64.34 -38.73 92.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.3 mmmt -68.98 -35.34 76.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.164 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' A' ' 13' ' ' GLU . 29.8 tpt180 -64.4 -45.61 86.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.627 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 5' ' ' LEU . 66.1 t -58.4 -49.87 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.656 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 10.6 mm-40 -62.8 -42.78 99.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.76 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.082 0.468 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.58 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.7 mt -74.11 -56.28 5.1 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.4 mptp? -53.17 -37.59 62.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.239 0.337 . . . . 0.0 111.717 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.24 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.081 0.467 . . . . 0.0 110.225 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -39.85 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.766 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.2 -41.07 98.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -60.88 -46.23 91.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.37 78.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.05 -41.52 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.305 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.55 -44.72 93.16 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 110.808 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 60.8 mt-30 -66.16 -31.28 72.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -67.75 -44.62 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 73.1 t -59.72 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 19.3 pt20 -65.63 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.27 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.85 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.327 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -65.48 -41.6 93.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -68.89 -22.42 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.306 0.574 . . . . 0.0 110.576 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.43 -40.74 25.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.528 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.71 -179.183 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.55 -51.75 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.201 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.24 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.723 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -65.94 -51.01 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.192 0.52 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.6 -39.74 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.74 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.33 -40.98 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.473 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.37 -29.39 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -72.98 -40.91 64.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.483 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.97 -48.89 72.42 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.719 0.771 . . . . 0.0 109.265 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.83 -44.75 84.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.816 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -59.44 -39.07 82.37 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.481 0.488 . . . . 0.0 110.389 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.79 86.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.32 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.2 mt-10 -65.68 -50.07 66.24 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.422 HD21 ' HG2' ' B' ' 15' ' ' ARG . 8.7 t-20 -51.25 -45.26 61.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.13 -43.0 77.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.609 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.49 -36.79 60.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.232 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mt -64.22 -52.94 56.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.595 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.21 -37.7 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.432 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -43.39 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.189 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.717 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG13 HD11 ' B' ' 26' ' ' LEU . 24.7 t -61.25 -42.31 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.344 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.46 83.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.952 0.406 . . . . 0.0 110.014 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.48 -50.15 75.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.459 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 91.6 mt -60.57 -50.4 73.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.63 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 178.699 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 39.8 tt0 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.831 0.348 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 71.8 t -56.93 -54.13 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.87 -37.33 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.327 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -62.95 -49.17 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.164 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 1' ' ' GLU . 84.9 mt -65.04 -36.17 83.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.8 mtpt -59.4 -45.41 91.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 0.0 110.273 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -31.93 72.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.691 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 18.8 tpt180 -64.58 -45.01 88.83 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.557 HG13 ' HE3' ' B' ' 13' ' ' LYS . 53.7 t -58.72 -50.07 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.408 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.53 -40.24 96.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.15 95.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 0.0 110.459 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 42.0 mt -66.42 -53.06 40.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.557 ' HE3' HG13 ' B' ' 9' ' ' VAL . 3.1 mptp? -56.27 -34.67 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.174 0.296 . . . . 0.0 111.106 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -46.07 80.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.0 109.858 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.7 tpt180 -69.7 -38.24 76.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.11 -39.85 95.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.053 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 50.1 t80 -60.32 -54.73 42.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.236 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.77 97.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.578 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.17 -41.56 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -60.46 -35.46 75.94 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.0 mm-40 -74.67 -39.69 61.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.87 -47.4 85.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.602 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 19' ' ' ALA . 68.1 t -57.22 -48.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.49 -36.31 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.02 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 110.373 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 23' ' ' VAL . 94.5 mt -62.27 -45.03 95.09 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.072 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.603 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 80.5 mtt180 -64.51 -27.67 69.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 111.272 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -78.74 -44.23 23.88 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.375 0.607 . . . . 0.0 110.017 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.024 -178.815 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.467 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 38.4 tt0 . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.361 0.124 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.5 t -51.57 -51.14 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.729 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.35 -42.25 81.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 110.778 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.6 mm100 -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.527 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD11 HG13 ' B' ' 2' ' ' VAL . 62.5 mt -65.73 -36.92 84.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.36 -39.46 93.21 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 92.3 mttt -67.34 -36.42 81.38 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.497 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -68.52 -40.99 80.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.742 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.34 -45.3 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -26.65 68.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.509 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -69.31 -51.47 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.626 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.01 -39.15 93.47 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.072 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -61.29 -42.97 99.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.301 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.27 84.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.871 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.9 mt-10 -62.37 -49.68 74.59 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.725 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.58 -48.55 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.623 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.59 -42.31 78.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.018 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.12 -40.95 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.339 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 15.5 mt -62.36 -51.39 67.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.83 -41.47 91.39 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -68.4 -39.16 81.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tt0 -65.78 -40.9 92.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.812 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.856 HG13 HD11 ' B' ' 26' ' ' LEU . 40.7 t -59.68 -46.82 92.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.49 96.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -62.09 -47.4 84.82 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.484 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 40.9 mt -59.1 -46.21 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 0.0 110.292 178.41 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 38.0 tt0 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.529 0.204 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 5' ' ' LEU . 55.1 t -58.78 -53.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.183 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -44.19 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 109.868 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -59.37 -46.35 88.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.437 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.5 mt -67.82 -34.78 77.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.644 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -61.83 -41.83 98.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -69.42 -32.32 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.9 t -59.39 -48.18 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.998 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.24 -36.01 82.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.435 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.59 85.7 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.178 0.513 . . . . 0.0 109.707 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 12' ' ' ALA . 34.9 mt -64.91 -46.78 80.26 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.001 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.65 -40.69 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.123 0.264 . . . . 0.0 110.926 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.9 89.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.053 0.454 . . . . 0.0 110.548 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -70.17 -39.91 75.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.1 -44.98 95.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.193 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.0 -46.75 87.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.95 94.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.767 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.06 -43.34 95.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' A' ' 19' ' ' LEU . 48.9 mttm -59.31 -40.38 86.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.38 -42.32 88.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -60.05 -43.17 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.194 178.453 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.5 t -58.88 -52.33 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.808 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.25 -38.49 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.219 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.41 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 23' ' ' VAL . 74.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.483 0.659 . . . . 0.0 110.198 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -65.51 -31.42 72.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.087 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -80.43 -48.36 12.99 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.247 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.819 -179.097 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.706 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 75.0 tt0 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.64 -50.74 72.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.329 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.905 0.384 . . . . 0.0 111.209 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.706 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.9 mm100 -63.83 -42.19 97.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.432 0.634 . . . . 0.0 110.178 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' VAL . 79.8 mt -71.32 -35.23 71.15 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.983 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.21 -40.93 94.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.042 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -74.28 -19.62 60.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 0.0 109.674 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -80.69 -45.87 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -62.92 -45.25 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.9 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -27.3 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.777 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.42 -48.32 56.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -68.5 -44.83 73.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.738 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.52 -39.05 75.69 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.497 0.498 . . . . 0.0 110.868 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.11 66.83 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.251 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.754 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 61.6 mt-10 -64.11 -53.04 55.79 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.053 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -48.56 -48.65 38.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.477 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -41.72 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.86 -39.38 56.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 38.2 mt -57.51 -48.4 79.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.355 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.64 -42.5 98.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.55 -38.84 92.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' B' ' 23' ' ' VAL . 45.8 tp10 -70.42 -46.43 63.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.434 HG13 HD11 ' B' ' 26' ' ' LEU . 47.6 t -59.32 -48.11 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.76 80.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -64.02 -50.48 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.658 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.0 mt -61.8 -45.29 94.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.408 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.061 0.458 . . . . 0.0 110.577 179.237 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 5' ' ' LEU . 5.4 tp10 . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.1 t -59.53 -52.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.512 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.24 -35.78 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.373 0.606 . . . . 0.0 110.591 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -69.5 -48.14 61.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.536 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.3 mt -65.89 -34.7 78.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.532 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -61.81 -42.47 99.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.58 -32.53 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.828 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.383 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 52.6 mm-40 -57.9 -43.9 86.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.78 -48.49 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.609 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 48.0 mt -59.72 -52.11 66.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.64 -36.98 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.003 0.189 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -70.14 -46.97 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.417 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.8 m120 -56.81 -40.55 76.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.46 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -60.42 -53.43 57.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.954 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.72 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.87 -42.64 94.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.511 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -57.22 -41.68 79.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.29 -36.04 71.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.232 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -66.02 -43.99 86.03 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 22' ' ' GLU . 78.7 t -57.35 -52.76 52.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.0 -33.49 76.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.46 -44.29 62.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.145 0.498 . . . . 0.0 110.569 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 95.6 mt -65.12 -43.71 91.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.782 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -26.4 67.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.179 0.514 . . . . 0.0 111.019 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -81.41 -39.79 24.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 tttm . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.001 -178.539 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp10 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.541 HG22 HG23 ' B' ' 2' ' ' VAL . 19.2 t -61.81 -44.91 99.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.7 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.46 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.2 mm100 -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 110.56 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 84.6 mt -63.43 -38.17 90.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -60.69 -44.11 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.43 -35.85 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.31 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -72.04 -43.33 65.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.41 -46.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.49 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.51 -52.16 14.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.338 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.9 -41.79 95.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.211 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.49 -46.45 88.77 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.14 0.275 . . . . 0.0 110.862 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.47 87.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.73 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.7 tt0 -58.34 -52.32 66.11 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.018 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 18.2 t-20 -54.18 -48.46 70.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -55.07 -43.98 74.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.508 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.66 -32.89 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 43.7 mt -67.28 -38.78 85.61 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 35.0 mt-10 -62.11 -48.52 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.353 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.13 -38.41 90.53 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.32 -44.38 96.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.759 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD11 ' B' ' 26' ' ' LEU . 26.8 t -65.87 -47.22 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.221 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.88 83.54 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.835 0.35 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.71 -54.55 45.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 90.7 mt -59.42 -44.34 92.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.319 0.58 . . . . 0.0 110.271 178.292 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.946 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 2.7 mp0 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.452 0.644 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 2' ' ' VAL . 3.4 t -60.32 -47.68 91.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.444 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.644 HE21 ' HD3' ' B' ' 7' ' ' LYS . 47.7 tp60 -59.85 -41.82 92.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.379 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.946 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -62.19 -43.85 97.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.987 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.2 mt -67.36 -33.06 74.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.471 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 51.2 mtpt -62.85 -40.46 97.52 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.644 ' HD3' HE21 ' B' ' 3' ' ' GLN . 11.6 mmmm -68.61 -34.29 75.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -63.8 -45.38 89.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.529 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.3 t -59.01 -49.04 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.259 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.4 -44.99 92.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.347 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.9 92.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.462 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 12' ' ' ALA . 53.2 mt -64.52 -52.99 54.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.069 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.2 mptp? -55.96 -37.27 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.164 0.29 . . . . 0.0 111.066 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.45 99.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.017 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -73.19 -45.04 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.25 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.637 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.7 m120 -58.7 -40.78 84.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.87 -49.68 73.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.537 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.08 92.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.572 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.61 -39.98 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -63.93 -44.82 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.733 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 mp0 -67.57 -23.78 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 109.615 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.1 tmtt? -76.27 -47.85 22.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 19' ' ' ALA . 71.1 t -58.08 -47.22 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.599 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 2.6 pt20 -65.85 -39.77 91.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.603 ' HA ' ' ND1' ' B' ' 28' ' ' HIS . . . -64.04 -44.54 92.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.1 mt -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -65.89 -40.65 91.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.603 ' ND1' ' HA ' ' B' ' 25' ' ' ALA . 0.4 OUTLIER -77.06 -60.84 2.2 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 122.315 1.055 . . . . 0.0 109.944 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 tttp . . . . . 0 N--CA 1.439 -0.995 0 CA-C-N 112.317 -2.22 . . . . 0.0 112.705 -176.594 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.477 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.71 -48.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.36 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.06 -39.39 74.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.388 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.477 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.0 mm100 -63.05 -46.85 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.516 0.674 . . . . 0.0 110.133 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 89.5 mt -65.36 -35.2 80.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.319 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -60.13 -42.11 94.08 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 91.5 mttt -64.53 -40.37 95.49 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.399 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -65.78 -45.73 81.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG21 HD22 ' B' ' 5' ' ' LEU . 56.5 t -62.49 -47.65 91.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.764 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 22.9 tp60 -69.06 -45.46 70.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.681 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.5 -45.18 76.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' B' ' 12' ' ' LEU . 51.3 mt-10 -62.74 -36.41 82.94 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.451 0.47 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.73 77.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt-10 -60.77 -54.71 41.86 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.56 -48.73 27.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.458 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.53 -39.63 84.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.836 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -77.64 -31.37 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.536 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.2 mt -63.81 -46.43 85.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.75 -37.88 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -65.17 -45.28 85.55 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.048 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -64.3 -42.86 96.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.032 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.543 HG13 HD11 ' B' ' 26' ' ' LEU . 24.4 t -58.93 -47.68 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.081 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.16 83.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.487 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -62.4 -54.92 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.483 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 96.5 mt -59.67 -41.15 89.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.464 0.65 . . . . 0.0 109.784 178.26 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 13.2 tp10 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.047 0.451 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 48.5 t -65.26 -49.47 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.131 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.55 -40.66 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 110.164 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.801 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.56 -39.54 80.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.124 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 9' ' ' VAL . 65.8 mt -78.39 -35.32 47.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.7 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.2 mtpt -59.97 -44.3 94.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.37 -33.22 74.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -64.04 -45.57 88.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 5' ' ' LEU . 72.3 t -59.07 -47.62 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.54 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -62.67 -42.16 99.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.254 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 12' ' ' ALA . 42.6 mt -67.87 -52.68 33.76 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.624 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -54.06 -38.31 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.249 0.343 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -46.66 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.149 0.5 . . . . 0.0 109.674 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.26 -43.03 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.236 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.7 m120 -61.01 -42.86 99.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.467 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -45.67 90.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -64.38 -34.87 79.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.08 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.502 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -78.34 -37.45 44.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -60.75 -47.17 87.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.552 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 7.7 pt20 -65.82 -26.65 67.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.843 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.8 mmmm -67.7 -48.16 67.34 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 19' ' ' ALA . 62.5 t -57.92 -48.61 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.158 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.502 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 -47.97 65.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' VAL . 93.3 mt -62.82 -43.39 98.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.611 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 6.1 ttt85 -69.0 -19.62 64.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.071 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -85.89 -46.47 10.56 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 tttp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.313 -179.803 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.202 0.525 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -75.57 -36.19 33.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.17 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.701 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.81 -45.85 91.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.279 0.561 . . . . 0.0 110.659 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 2' ' ' VAL . 49.8 mt -67.68 -33.24 74.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.31 -41.03 92.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.58 -38.31 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.095 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -67.89 -44.05 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.405 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 5' ' ' LEU . 59.2 t -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.74 -24.97 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.935 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -69.87 -51.97 28.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -66.48 -43.84 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.643 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' OE2' HD21 ' B' ' 12' ' ' LEU . 29.4 mm-40 -56.49 -43.46 79.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.474 0.484 . . . . 0.0 111.277 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -49.54 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.716 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 49.4 mt-10 -66.86 -45.44 78.14 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.485 0.491 . . . . 0.0 109.959 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.49 -44.61 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.213 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.55 -34.47 70.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.135 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.8 mt -67.02 -50.08 63.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.42 -41.57 89.83 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.075 0.464 . . . . 0.0 109.887 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.34 -41.4 96.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.56 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -72.15 -41.99 66.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 26' ' ' LEU . 36.8 t -59.53 -49.66 82.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.637 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.61 72.58 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.457 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.29 -51.03 71.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.648 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.618 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 94.8 mt -62.55 -43.7 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.442 0.639 . . . . 0.0 109.832 179.05 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 6.8 pt-20 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.667 0.27 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.456 HG13 HD11 ' A' ' 5' ' ' LEU . 14.9 t -58.28 -51.9 65.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.057 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.87 -36.52 74.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.523 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.01 -45.95 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.487 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.1 mt -67.69 -33.21 74.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.147 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.76 -40.17 94.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -70.32 -34.65 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -63.28 -44.61 94.61 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.318 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.675 HG13 ' HE3' ' B' ' 13' ' ' LYS . 76.4 t -58.04 -53.96 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.677 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.33 -39.05 81.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.27 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 109.89 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 12' ' ' ALA . 35.7 mt -66.04 -49.36 67.97 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.675 ' HE3' HG13 ' B' ' 9' ' ' VAL . 19.8 mmtp -59.29 -41.73 89.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 111.096 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.79 73.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.121 0.486 . . . . 0.0 110.318 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -80.45 -39.8 27.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.793 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.05 -41.42 99.48 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.272 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -60.63 -47.49 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.317 0.579 . . . . 0.0 109.69 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.65 89.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.871 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.15 -42.07 98.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.291 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.94 -41.21 95.82 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 0.9 OUTLIER -69.21 -31.76 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.692 178.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.562 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mtpp -67.25 -46.3 74.14 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 19' ' ' ALA . 90.1 t -55.92 -49.03 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.466 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 3.6 pt20 -68.77 -30.99 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.641 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.56 -44.19 29.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.889 0.376 . . . . 0.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.1 mt -62.3 -43.29 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.195 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.618 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 35.7 mtt-85 -64.95 -29.62 70.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -76.74 -43.4 37.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.0 109.799 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.354 -179.594 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 2.1 tp10 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.18 -53.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.216 0.322 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.71 75.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 111.268 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.681 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 71.3 mm-40 -57.09 -47.46 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.548 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.55 -41.54 96.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.869 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -59.44 -40.96 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.49 -32.07 70.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.258 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -73.62 -41.61 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.077 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.688 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.6 -26.76 67.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.983 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -70.11 -49.78 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.375 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -68.57 -40.76 80.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.577 ' OE2' HD21 ' B' ' 12' ' ' LEU . 33.3 mm-40 -57.32 -41.82 80.65 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.407 0.442 . . . . 0.0 110.649 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -52.02 65.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.35 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.748 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 66.2 mt-10 -61.27 -47.6 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.79 -43.9 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.531 0.52 . . . . 0.0 110.839 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.19 -43.84 92.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.129 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -69.39 -36.58 76.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.211 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.0 mt -66.1 -54.3 27.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.391 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -58.77 -40.24 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.69 -41.47 99.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.214 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -70.87 -45.6 64.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.349 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.5 t -57.81 -48.02 84.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.615 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.38 -45.7 76.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.977 0.418 . . . . 0.0 110.433 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -62.13 -53.15 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.764 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 89.5 mt -60.07 -47.21 86.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.964 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.766 179.432 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.689 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 32.9 tp10 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 64.8 t -54.61 -57.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.214 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 40.9 tt0 -57.61 -41.47 81.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.689 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.68 -48.79 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.716 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.521 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.4 mt -65.74 -32.29 73.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 60.8 mtpt -64.26 -39.94 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -66.8 -36.65 82.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.212 178.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -63.69 -46.04 87.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.598 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 5' ' ' LEU . 71.4 t -58.15 -49.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 8.4 mm-40 -65.93 -36.73 84.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.316 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.78 90.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.193 0.521 . . . . 0.0 109.771 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.577 HD21 ' OE2' ' A' ' 13' ' ' GLU . 33.3 mt -65.09 -51.13 63.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 5.5 mptp? -55.5 -38.05 68.65 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.493 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.53 95.13 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.263 0.554 . . . . 0.0 110.238 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -73.84 -45.79 49.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.7 m120 -59.13 -46.23 88.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.93 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 2.2 t80 -58.54 -41.64 85.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.63 -46.42 31.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.345 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.78 -39.72 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.642 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.71 -40.64 88.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.363 . . . . 0.0 110.477 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.94 -33.61 70.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 7.4 mmtt -64.18 -48.31 76.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.771 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 19' ' ' ALA . 63.0 t -55.7 -49.22 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 110.582 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -65.49 -37.36 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.01 68.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.436 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.4 mt -63.4 -42.53 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.824 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 27.3 mtt-85 -67.28 -25.83 66.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.985 0.421 . . . . 0.0 110.984 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -81.21 -42.12 21.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.204 0.526 . . . . 0.0 109.858 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.301 -179.336 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.893 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 33.4 tt0 . . . . . 0 CA--C 1.521 -0.14 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.79 -47.35 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.927 0.394 . . . . 0.0 111.514 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.893 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 85.7 mm-40 -65.72 -48.25 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.578 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.64 -38.53 85.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.042 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -60.24 -42.85 96.13 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.09 -33.22 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.8 -44.15 70.63 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.89 -45.98 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.467 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.78 68.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.976 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -67.82 -48.65 65.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -69.52 -43.94 72.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.588 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -55.05 -43.61 73.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.55 0.531 . . . . 0.0 111.314 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -58.02 -53.24 60.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.721 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.808 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 58.8 mt-10 -63.95 -49.75 71.35 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.184 179.096 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -51.4 -46.48 62.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 42.9 t80 -55.88 -44.56 78.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 83.2 mt-30 -70.2 -42.78 71.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 26.9 mt -58.55 -52.55 65.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.326 -179.192 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -60.5 -41.74 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 85.7 mt-30 -64.83 -42.89 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.308 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 8.5 tp10 -64.34 -44.93 89.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.799 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -57.66 -46.81 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.181 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.67 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.223 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -55.72 31.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.377 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' B' ' 26' ' ' LEU . 78.5 mt -58.42 -48.43 80.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.305 0.574 . . . . 0.0 111.469 179.832 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.9 pt-20 . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.469 0.176 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.91 -54.08 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -60.98 -36.28 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.708 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.427 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.84 -47.13 72.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.215 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.523 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.6 mt -69.25 -37.05 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.079 -178.47 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.36 -38.57 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.71 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -72.9 -31.94 65.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -65.34 -42.2 93.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' B' ' 13' ' ' LYS . 70.7 t -58.94 -53.67 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.732 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -58.65 -41.75 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.0 96.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 0.0 110.38 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.499 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -67.08 -51.93 48.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.379 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.576 ' HE3' HG13 ' B' ' 9' ' ' VAL . 16.7 mmtp -57.12 -39.33 74.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 110.594 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.96 79.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -76.26 -44.48 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.713 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.31 -47.35 83.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.13 -46.08 89.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.22 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.281 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.47 -39.79 94.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.816 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.41 -37.45 80.88 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.69 0.281 . . . . 0.0 111.029 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.3 -28.63 57.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.6 mmtm -68.87 -48.64 62.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 177.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 19' ' ' ALA . 83.1 t -55.03 -48.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.736 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.12 -40.78 96.94 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.252 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.523 ' HA ' ' ND1' ' B' ' 28' ' ' HIS . . . -65.05 -46.95 79.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 26' ' ' LEU . 87.2 mt -63.32 -29.75 71.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.719 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -47.18 78.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.785 178.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' HIS . . . . . 0.523 ' ND1' ' HA ' ' B' ' 25' ' ' ALA . 1.6 m80 -68.59 -53.88 20.04 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-O 121.772 0.796 . . . . 0.0 109.632 178.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 tptp . . . . . 0 N--CA 1.44 -0.956 0 CA-C-N 112.763 -2.017 . . . . 0.0 111.374 -176.854 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.235 0.295 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.47 -47.14 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.603 0.24 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.24 77.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 111.144 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -61.21 -49.82 75.61 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.155 179.052 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 89.6 mt -63.63 -37.77 88.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.714 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.411 178.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.12 -31.47 70.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.375 0.607 . . . . 0.0 110.154 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -74.45 -44.94 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.217 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.37 -44.04 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.57 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.836 178.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -65.96 -51.88 54.61 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.072 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.61 -43.6 84.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.371 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -39.18 76.93 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.308 0.38 . . . . 0.0 111.702 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.24 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.362 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.736 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 52.8 mt-10 -62.55 -52.15 64.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.711 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.34 -46.92 47.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.235 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -56.16 -40.48 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.121 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -83.28 -28.75 28.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.804 -179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.7 mt -66.57 -52.66 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.47 -37.44 83.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.254 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -65.65 -44.05 87.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.892 179.316 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.28 -44.5 83.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 HD11 ' B' ' 26' ' ' LEU . 44.3 t -57.81 -46.1 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.234 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.71 82.67 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.03 -50.95 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 79.5 mt -64.83 -46.06 83.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.219 -179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.206 0.527 . . . . 0.0 110.114 178.923 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.1 pm0 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.9 t -52.16 -56.69 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.123 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.58 -28.84 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.049 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.67 -45.56 71.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.13 0.49 . . . . 0.0 110.532 179.267 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -72.35 -34.98 68.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.727 -179.452 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 62.3 mtpt -58.25 -46.16 86.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.104 179.426 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.94 -32.0 72.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.011 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.06 -42.29 94.35 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.582 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 56.1 t -60.5 -51.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.595 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.54 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.583 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.27 81.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 43.0 mt -63.27 -53.04 59.12 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.716 179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 2.9 mptp? -56.33 -36.83 69.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.317 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.66 88.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.176 0.512 . . . . 0.0 110.279 179.019 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -71.93 -42.65 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -59.93 -47.24 86.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.369 179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.34 -45.92 76.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.453 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.92 66.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.68 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.79 -36.48 83.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.952 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.45 -38.94 82.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.1 mmmt -62.95 -51.65 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.498 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.0 t -54.21 -49.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.35 -36.44 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.97 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.478 . . . . 0.0 110.624 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 85.4 mt -66.29 -42.71 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.712 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 26' ' ' LEU . 37.8 mtt180 -66.07 -21.76 66.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.308 0.575 . . . . 0.0 110.841 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -78.82 -32.84 46.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.317 0.579 . . . . 0.0 110.169 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.62 -179.23 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.487 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.4 tp10 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -53.13 -53.38 22.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.77 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 111.05 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.487 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 99.4 mm-40 -58.65 -48.77 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.682 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 97.2 mt -61.68 -42.85 99.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.22 -41.2 83.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.006 0.431 . . . . 0.0 110.516 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -36.29 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.123 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.64 -39.86 80.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.699 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.0 t -62.4 -47.24 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.874 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -69.82 -52.0 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.558 0.694 . . . . 0.0 109.323 179.115 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -63.91 -41.8 97.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.41 -40.86 88.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.22 83.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.287 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.704 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 14.1 mt-10 -63.11 -51.12 67.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.25 178.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -51.48 -46.36 63.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.936 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.59 -41.52 81.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.993 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -75.53 -36.68 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 35.5 mt -60.72 -48.54 81.32 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -65.71 -43.64 88.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.381 178.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 23.5 tp10 -64.56 -46.74 81.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.745 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 26' ' ' LEU . 40.6 t -60.44 -48.17 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.665 179.202 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.34 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.779 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.14 -47.0 84.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.302 179.583 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 81.3 mt -63.09 -47.14 84.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.513 0.673 . . . . 0.0 110.43 179.107 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.59 ' HG2' ' H ' ' B' ' 4' ' ' ALA . 11.3 pm0 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.87 0.366 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 41.8 t -57.67 -48.88 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.185 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 47.2 tt0 -59.01 -39.84 83.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.888 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.59 ' H ' ' HG2' ' B' ' 1' ' ' GLU . . . -56.84 -49.06 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.995 179.522 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 96.0 mt -69.15 -33.21 73.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.652 -179.528 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.9 mtpt -64.19 -40.26 95.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.949 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.6 -35.93 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -64.02 -45.89 86.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.526 178.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.3 t -60.57 -47.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.108 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.24 -40.16 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.368 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.38 75.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 0.0 110.1 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 53.7 mt -62.55 -53.16 58.76 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -56.09 -36.82 68.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.954 -0.112 . . . . 0.0 110.766 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.43 91.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -67.07 -44.58 79.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 109.264 178.389 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.476 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.12 -45.91 92.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.568 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -72.33 -41.27 66.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.574 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -57.92 -49.3 77.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.53 0.205 . . . . 0.0 111.493 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -65.46 -29.23 69.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.486 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -67.39 -43.44 81.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.815 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 19' ' ' ALA . 89.5 t -59.33 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.068 178.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -61.95 -37.15 83.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.68 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.2 mt -65.33 -36.98 85.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.589 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HD2' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.27 -37.67 87.91 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.459 0.647 . . . . 0.0 109.475 178.308 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -70.36 -44.89 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttm . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.029 -179.137 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.891 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 44.7 tt0 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 120.451 0.167 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.47 -43.8 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.528 ' H ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.89 -43.26 90.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 94.7 mm-40 -59.93 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.495 0.664 . . . . 0.0 110.001 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 93.9 mt -63.92 -38.4 90.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.703 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -58.85 -40.62 84.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.222 178.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 93.3 mttt -69.05 -36.34 77.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.94 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.46 -40.82 70.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.475 179.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' LEU . 69.5 t -65.41 -46.52 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -24.61 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.485 178.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -70.93 -52.66 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 109.45 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.18 -45.1 77.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.789 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG2' HD21 ' B' ' 12' ' ' LEU . 19.3 mt-10 -57.54 -40.27 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -52.25 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.696 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 3.0 tt0 -57.15 -50.06 73.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.887 178.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.43 HD21 ' HG2' ' B' ' 15' ' ' ARG . 24.0 t-20 -51.2 -50.22 59.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.417 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -36.58 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.448 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.71 -34.04 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.792 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.1 mt -64.54 -53.08 53.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.15 -27.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.63 0.252 . . . . 0.0 110.545 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.36 -41.04 70.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.635 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.8 tp10 -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.876 HG13 HD11 ' B' ' 26' ' ' LEU . 53.4 t -59.11 -49.84 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.165 178.257 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.79 95.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.854 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.76 -51.57 69.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.584 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 73.6 mt -60.0 -47.45 85.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.39 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 110.772 179.474 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.812 0.339 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.2 t -55.0 -52.73 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.5 -32.94 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.592 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.453 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -63.7 -47.39 81.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.017 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 82.8 mt -70.13 -36.64 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.371 -179.414 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 50.2 mtpt -59.91 -43.04 95.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HE2' ' B' ' 7' ' ' LYS . 0.2 OUTLIER -67.2 -29.53 69.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.963 178.372 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 20.9 tpt180 -68.15 -47.43 68.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.641 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.15 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.86 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.36 -42.43 86.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.12 81.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.456 179.551 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.7 mt -62.2 -54.59 38.71 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.314 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.09 -36.91 68.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.508 0.194 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.12 93.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.272 178.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.43 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.1 tpt180 -73.15 -40.08 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.663 178.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -59.95 -48.96 79.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.153 179.367 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -58.94 -43.39 91.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.048 179.289 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -47.58 72.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.503 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.38 -33.93 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.157 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 16' ' ' ASN . 98.5 mttt -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 73.5 mm-40 -74.41 -33.25 62.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.119 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.9 mmmm -62.07 -45.42 93.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.694 177.634 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 19' ' ' ALA . 59.5 t -55.75 -50.91 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.171 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.98 -41.06 97.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.49 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.73 89.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.907 -179.443 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.876 HD11 HG13 ' A' ' 23' ' ' VAL . 85.4 mt -67.35 -40.72 85.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.45 ' HD2' HG12 ' B' ' 23' ' ' VAL . 28.9 mtt-85 -67.37 -25.68 66.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.239 0.543 . . . . 0.0 109.865 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -75.84 -43.09 47.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.989 178.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.969 179.352 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.65 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.2 tp10 . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.684 0.278 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.59 -49.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.064 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.11 80.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.311 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.65 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.2 mm100 -65.82 -44.09 86.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.395 0.617 . . . . 0.0 109.877 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 73.0 mt -66.87 -36.14 81.65 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.235 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.29 -41.7 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.566 178.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -71.34 -22.16 61.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.092 0.473 . . . . 0.0 109.857 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -80.24 -42.72 22.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.582 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD11 ' B' ' 12' ' ' LEU . 54.7 t -62.89 -45.1 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.102 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.63 69.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.611 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 3.5 tp-100 -69.79 -51.01 37.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.056 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -62.53 -41.75 99.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.218 179.198 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.91 -37.41 82.15 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.499 0.5 . . . . 0.0 111.269 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.1 85.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.279 0.562 . . . . 0.0 110.233 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 19.5 tp10 -68.35 -48.78 63.93 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.172 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.423 HD21 ' HG2' ' B' ' 15' ' ' ARG . 19.6 t-20 -53.39 -45.78 69.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.396 178.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.2 -43.58 78.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.491 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -71.07 -30.96 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.941 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 41.7 mt -68.62 -51.03 46.68 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.818 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.56 -37.11 80.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.237 179.019 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -65.47 -43.6 89.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.523 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.9 tp10 -66.67 -47.64 71.86 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.949 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 HD11 ' B' ' 26' ' ' LEU . 43.0 t -57.27 -46.8 85.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.681 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.18 85.05 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.229 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.26 -53.17 48.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.76 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 64.2 mt -56.86 -46.75 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.353 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.371 178.828 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.836 0.351 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 51.2 t -56.31 -54.19 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.219 179.33 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.11 -32.6 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.476 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -65.98 -44.23 85.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.6 mt -74.61 -34.59 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.717 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.58 0.229 . . . . 0.0 110.516 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.82 -31.69 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.575 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 22.8 tpt180 -65.41 -44.98 85.73 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.879 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 5' ' ' LEU . 86.6 t -61.06 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.179 178.662 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -62.25 -36.79 83.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.67 80.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 110.103 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 12' ' ' ALA . 25.1 mt -62.33 -48.69 78.73 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.338 179.22 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.24 -38.92 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.0 0.188 . . . . 0.0 111.397 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.53 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.26 0.552 . . . . 0.0 109.74 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.423 ' HG2' HD21 ' A' ' 16' ' ' ASN . 9.5 tpt180 -67.49 -39.51 85.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.489 179.02 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.55 -42.19 95.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.529 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.57 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.994 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.573 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -69.74 -39.99 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -61.65 -47.17 86.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.315 . . . . 0.0 110.872 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 8.1 pt20 -68.39 -27.7 66.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 14.2 mttp -65.5 -46.77 78.39 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.009 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.4 t -54.42 -50.51 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.158 178.605 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.08 -41.99 98.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.262 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.54 71.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.461 HD11 HG13 ' A' ' 23' ' ' VAL . 88.9 mt -62.08 -40.88 97.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 12.0 ttt180 -65.89 -38.58 89.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.74 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -72.66 -45.01 61.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.683 -178.613 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 1.088 ' HB3' ' HG3' ' A' ' 4' ' ' GLN . 14.4 tp10 -84.48 154.19 22.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.555 0.217 . . . . 0.0 110.612 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 t -57.15 -49.11 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.43 76.78 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 1.088 ' HG3' ' HB3' ' A' ' 1' ' ' GLU . 37.9 mt-30 -63.75 -46.91 83.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.118 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 HG13 ' B' ' 2' ' ' VAL . 89.3 mt -64.25 -37.83 88.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.615 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -64.29 -40.96 97.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.848 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -72.23 -23.48 61.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 109.714 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.13 -42.5 26.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.2 t -62.79 -43.15 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.18 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.833 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -71.73 -50.62 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.13 -44.36 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.744 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -58.55 -43.38 89.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.545 0.528 . . . . 0.0 111.093 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.36 86.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.75 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 98.4 mt-10 -66.01 -50.13 65.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.76 -48.03 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.934 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.77 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 51.1 t80 -55.8 -43.45 76.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.773 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.88 -41.65 67.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.918 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 19.7 mt -57.41 -47.29 82.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.214 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.19 -34.95 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.77 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 91.3 mm-40 -66.87 -46.13 75.94 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.272 0.558 . . . . 0.0 109.662 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.35 -44.19 79.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.43 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 HG22 ' B' ' 23' ' ' VAL . 33.2 t -60.58 -47.46 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.32 87.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.054 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.61 -51.26 58.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' B' ' 26' ' ' LEU . 86.1 mt -58.83 -39.42 81.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.631 ' OE1' ' HA3' ' A' ' 31' ' ' GLY . 38.5 mm-40 -72.59 -40.4 66.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 0.0 110.42 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -62.5 -32.06 72.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -90.62 -28.45 18.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.528 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.91 -73.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.048 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.631 ' HA3' ' OE1' ' A' ' 27' ' ' GLU . . . -39.03 109.21 0.1 Allowed Glycine 0 CA--C 1.526 0.771 0 O-C-N 124.289 0.993 . . . . 0.0 114.481 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.152 0 O-C-N 122.114 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 6.9 tp10 -90.8 127.56 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' LEU . 42.5 t -57.26 -53.89 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -57.18 -38.61 73.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.468 . . . . 0.0 110.431 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -65.1 -49.14 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.229 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 97.1 mt -63.89 -34.38 77.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -67.75 -30.45 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -65.73 -45.18 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 74.2 t -60.07 -47.89 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.155 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 97.8 mm-40 -63.25 -40.84 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.373 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.43 92.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 109.747 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.1 mt -63.53 -51.86 63.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.282 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -56.58 -37.77 71.06 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.286 0.366 . . . . 0.0 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.83 97.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.841 0.353 . . . . 0.0 110.336 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -74.44 -37.61 63.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.951 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.18 -45.18 89.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.507 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 0.3 OUTLIER -59.16 -44.58 92.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.268 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.8 71.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.556 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.49 -43.72 96.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.68 -46.25 81.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -62.31 -38.84 90.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.2 mmmm -62.49 -48.43 79.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' B' ' 19' ' ' ALA . 42.6 t -58.36 -48.31 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.673 0.273 . . . . 0.0 111.314 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.82 -30.6 68.15 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.999 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.77 75.95 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 26' ' ' LEU . 96.8 mt -69.75 -32.99 71.82 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.293 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -27.52 66.25 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.703 0.763 . . . . 0.0 109.165 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -80.37 -42.5 22.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.771 0.795 . . . . 0.0 108.968 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -68.9 -43.69 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.244 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -149.41 46.63 0.97 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.13 40.32 2.47 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.163 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 41.3 tp10 -91.16 154.1 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.622 0.248 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.28 -53.25 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.58 -38.15 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.578 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 70.0 mm-40 -63.99 -48.2 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.325 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.4 mt -65.06 -36.46 84.42 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.531 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.76 -42.12 92.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.23 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -67.05 -33.82 76.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.36 0.6 . . . . 0.0 109.888 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.89 -42.67 60.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.693 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.65 -44.39 98.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.53 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.541 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -66.04 -53.61 36.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.645 0.736 . . . . 0.0 109.113 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -64.85 -43.89 91.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.722 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.39 -47.47 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.18 0.3 . . . . 0.0 111.445 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 93.0 mt-10 -65.47 -49.76 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.103 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -52.35 -45.55 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.29 -40.77 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.799 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -73.42 -39.69 64.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.303 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 13.4 mt -62.75 -48.57 78.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.71 -37.18 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.702 0.287 . . . . 0.0 110.253 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.85 -45.15 93.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.99 -45.12 78.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.371 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 HD11 ' B' ' 26' ' ' LEU . 36.4 t -56.61 -44.38 80.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.283 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.65 95.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.12 -50.55 72.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mt -62.51 -47.11 85.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.633 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HG2' HD13 ' B' ' 26' ' ' LEU . 6.6 mm-40 -63.02 -40.12 96.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.376 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -65.36 -37.8 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.824 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -68.74 -35.38 77.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.09 -47.38 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.956 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.77 -116.92 2.62 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.191 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 122.691 -0.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.99 141.79 29.25 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.553 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 54.8 t -55.87 -50.28 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -62.09 -37.36 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.39 98.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 9' ' ' VAL . 85.3 mt -69.95 -31.95 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.23 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.3 mtpt -61.46 -39.24 90.15 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.7 -35.06 79.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.62 -46.15 83.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.532 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 91.9 t -57.45 -50.37 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.643 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.0 -40.94 90.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.36 77.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.2 mt -63.18 -52.57 61.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.248 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.3 mptp? -56.95 -36.37 70.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.054 0.221 . . . . 0.0 110.576 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.07 99.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.231 0.538 . . . . 0.0 109.73 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.8 -46.25 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.891 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.9 m120 -57.48 -45.19 85.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.833 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -60.22 -44.06 95.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.89 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.385 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.468 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.21 -39.07 91.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -60.9 -36.31 78.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.182 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -69.44 -41.66 76.0 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.038 -0.726 . . . . 0.0 109.038 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.637 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 26.8 mmmt -57.84 -49.68 75.84 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.857 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.0 t -52.93 -54.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.228 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.252 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.39 72.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.722 0.296 . . . . 0.0 111.038 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 83.5 mt -67.11 -37.46 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.555 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.7 mtp85 -66.37 -32.02 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.296 0.569 . . . . 0.0 109.556 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -75.65 -45.4 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' B' ' 26' ' ' LEU . 84.1 tttt -57.92 -44.52 86.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 58.4 m -137.04 -66.82 0.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.486 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.58 -94.17 1.78 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.359 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 O-C-N 122.747 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 -74.56 155.88 37.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.34 -56.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.457 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -53.56 -44.56 69.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.169 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.6 mm100 -55.71 -52.32 64.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 93.4 mt -61.72 -41.95 98.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.842 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.08 -41.93 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 9.2 mtpm? -70.06 -36.7 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.498 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.46 -39.18 81.51 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 51.9 t -64.48 -49.36 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.183 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.5 70.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.5 -47.5 72.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.96 -45.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.852 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.63 -44.44 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.624 0.578 . . . . 0.0 110.634 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -61.48 -50.42 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.28 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 96.9 mt-10 -61.21 -49.15 78.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.116 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.433 HD21 ' HG2' ' B' ' 15' ' ' ARG . 13.6 t-20 -50.14 -48.64 53.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.839 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.348 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 80.5 mt-30 -71.02 -43.18 68.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 16.8 mt -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.315 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.146 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 68.2 mt-30 -65.64 -41.72 92.31 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.0 tp10 -67.81 -45.88 73.5 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.565 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 HD11 ' B' ' 26' ' ' LEU . 52.3 t -56.91 -49.16 79.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.396 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -64.83 -48.3 74.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.661 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 80.4 mt -61.46 -45.61 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.312 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.52 -42.72 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.053 0.454 . . . . 0.0 111.079 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.64 -44.95 88.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.94 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -74.38 -23.37 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 111.359 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' SG ' ' HE2' ' B' ' 29' ' ' LYS . 53.3 t -78.23 -25.33 46.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.961 0.41 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.37 68.73 0.47 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.405 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 122.644 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.805 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 39.2 tp10 -91.29 126.49 36.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.426 . . . . 0.0 110.72 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.4 t -57.27 -51.41 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.471 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 38.1 tt0 -58.68 -43.24 89.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.286 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.805 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.88 -43.02 80.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.255 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -70.12 -34.77 73.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.195 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 59.1 mtpt -63.01 -40.91 99.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 11.5 mmmm -69.18 -36.1 76.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -61.74 -44.57 96.64 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 77.2 t -59.5 -53.8 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.278 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -57.36 -39.02 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.139 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.12 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -70.88 -50.33 36.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' B' ' 9' ' ' VAL . 53.2 mmtt -57.23 -39.19 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.839 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.32 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.125 0.488 . . . . 0.0 110.781 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.433 ' HG2' HD21 ' A' ' 16' ' ' ASN . 26.0 ttt180 -84.57 -41.4 16.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.42 0.629 . . . . 0.0 109.629 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -60.56 -46.84 88.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.039 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 11.0 t80 -59.51 -49.08 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.628 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.87 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.475 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.56 -38.73 91.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HG3' HD13 ' A' ' 19' ' ' LEU . 92.8 mttt -65.37 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.56 0.219 . . . . 0.0 110.619 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.6 mm-40 -73.59 -37.09 65.58 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.2 mtpp -63.22 -45.13 93.09 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.692 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 19' ' ' ALA . 94.4 t -53.54 -51.44 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.928 0.394 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.08 -41.66 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.698 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.91 65.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.512 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.697 HD11 HG13 ' A' ' 23' ' ' VAL . 69.1 mt -62.63 -39.24 93.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -66.42 -33.68 76.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.151 0.5 . . . . 0.0 109.906 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.29 -41.76 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.747 0.784 . . . . 0.0 109.158 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.583 ' HE2' ' SG ' ' A' ' 30' ' ' CYS . 80.5 tttt -59.95 -44.49 94.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 65.0 m -147.28 -66.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 89.17 -151.06 21.79 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.796 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.684 0 O-C-N 122.944 -0.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.575 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.8 tp10 -84.47 160.98 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.68 -51.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.286 0.366 . . . . 0.0 110.774 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -33.97 69.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.604 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.8 mm100 -71.34 -41.81 69.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.596 0.712 . . . . 0.0 110.182 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 60.0 mt -69.43 -34.95 75.18 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.426 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -61.84 -40.11 94.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.9 ptpt -72.93 -25.97 61.23 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.218 0.532 . . . . 0.0 109.717 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -75.83 -42.92 48.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.231 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 78.2 t -63.8 -43.52 97.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.152 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.94 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.674 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -66.01 -53.5 37.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.22 -42.3 93.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.29 -46.03 76.2 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.516 0.51 . . . . 0.0 111.327 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.08 79.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.1 mt-10 -63.48 -46.91 83.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.196 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -52.33 -45.79 65.76 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.72 -41.64 95.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.27 -38.17 71.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 17.4 mt -61.38 -46.26 90.92 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.3 -44.14 92.56 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.51 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.2 -40.77 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.315 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 18.6 tp10 -64.39 -45.87 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 52.0 t -60.08 -48.89 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.603 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.35 83.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.921 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.22 -53.16 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.413 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 76.3 mt -61.43 -44.36 97.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -58.14 -39.96 80.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.32 0.581 . . . . 0.0 110.125 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -71.95 -44.97 62.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -69.19 -22.5 63.9 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.99 -25.27 52.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.032 0.444 . . . . 0.0 110.352 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.58 -140.97 16.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.416 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 6.2 tp10 -82.06 133.97 35.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.713 0.292 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 60.1 t -56.16 -55.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.604 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -57.41 -40.61 78.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.141 0.496 . . . . 0.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -61.0 -46.77 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.159 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -65.07 -32.56 74.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.245 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.8 mtpt -64.11 -42.58 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.17 -32.09 71.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.918 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -63.87 -46.21 85.97 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 5' ' ' LEU . 70.7 t -58.75 -47.71 88.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.099 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.75 -43.46 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.85 99.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 109.99 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 12' ' ' ALA . 30.1 mt -64.29 -53.4 49.55 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.176 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -37.82 68.69 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.125 0.265 . . . . 0.0 111.395 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.16 88.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.63 -41.92 71.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.655 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 3.6 m120 -61.23 -36.51 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.196 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -63.67 -49.89 71.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.83 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.17 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.873 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -66.78 -37.73 85.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 4.8 tttm -60.7 -52.77 63.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.636 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -68.84 -26.56 65.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.677 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.2 mttp -63.52 -46.03 87.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.1 t -56.79 -48.55 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.471 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.12 -33.62 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.77 74.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 95.8 mt -64.5 -43.63 93.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.325 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.537 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.2 mtt-85 -65.54 -22.88 66.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -76.62 -47.07 23.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.8 -48.85 43.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 75.8 m -142.01 75.07 1.48 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.29 75.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 122.707 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.6 tp10 -84.46 163.68 19.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -53.5 -52.2 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.045 0.215 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.91 74.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.34 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.8 mm100 -64.55 -43.82 92.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.361 0.601 . . . . 0.0 110.203 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 2' ' ' VAL . 77.1 mt -66.71 -37.68 85.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.094 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -62.42 -42.66 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.59 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 18.4 ptpt -73.14 -25.23 60.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.233 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -75.53 -38.41 59.36 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -64.95 -46.22 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.865 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -31.81 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.536 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -64.42 -50.84 66.01 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.785 0.802 . . . . 0.0 108.985 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.25 -41.88 93.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.02 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.79 -43.1 90.42 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.357 0.411 . . . . 0.0 110.896 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.61 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.691 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 tt0 -57.39 -51.77 68.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.152 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.05 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.534 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 21.9 t80 -58.97 -37.57 77.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.003 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.8 -34.56 69.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.642 0.258 . . . . 0.0 110.617 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.7 mt -67.64 -49.69 61.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.552 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.62 -35.44 77.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.768 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.4 mt-30 -62.59 -41.92 99.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -66.92 -50.65 61.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.428 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.67 -51.7 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.751 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.51 78.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -62.47 -47.43 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.767 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 88.7 mt -62.27 -44.36 96.71 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.498 ' HA ' ' H ' ' A' ' 31' ' ' GLY . 7.6 mm-40 -69.48 -47.92 62.37 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -53.7 -45.26 70.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.381 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -91.22 -6.81 52.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -142.84 -70.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 27' ' ' GLU . . . -64.97 91.69 0.12 Allowed Glycine 0 CA--C 1.521 0.438 0 CA-C-N 116.31 -0.404 . . . . 0.0 113.805 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 122.33 -0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.2 pm0 -76.86 176.79 8.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.797 0.332 . . . . 0.0 111.53 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 5' ' ' LEU . 53.7 t -56.09 -55.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.035 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 53.0 tt0 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.354 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -62.57 -47.09 85.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 111.014 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.2 mt -69.43 -28.96 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 63.0 mtpt -64.18 -40.07 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.6 mmmt -69.19 -34.49 74.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -62.09 -44.31 96.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.105 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.9 t -62.62 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.596 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 96.5 mm-40 -64.79 -41.06 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.349 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.39 98.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 0.0 109.846 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 12' ' ' ALA . 44.4 mt -67.76 -50.03 59.3 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.406 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -54.24 -42.32 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.35 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.176 0.512 . . . . 0.0 110.358 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -70.34 -42.05 72.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.834 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.529 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.1 m120 -61.64 -47.03 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.98 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.66 -47.56 84.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.989 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.49 -37.34 82.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.812 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.551 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -73.49 -43.38 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 19' ' ' LEU . 91.4 mttt -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.36 -28.43 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.428 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 12.5 mtpt -70.75 -45.72 64.28 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 19' ' ' ALA . 61.7 t -56.0 -50.68 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.98 0.419 . . . . 0.0 110.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.11 -40.61 98.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.573 ' HA ' ' ND1' ' B' ' 28' ' ' HIS . . . -63.37 -44.96 93.26 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 90.0 mt -61.72 -35.15 77.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -55.08 39.72 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.899 178.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.573 ' ND1' ' HA ' ' B' ' 25' ' ' ALA . 0.4 OUTLIER -66.94 -52.09 47.22 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.463 0.649 . . . . 0.0 110.913 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -50.25 -24.88 3.17 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.422 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 48.1 t -163.54 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.8 79.96 0.82 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.002 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.742 -0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.602 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.2 tp10 -78.73 154.96 29.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.02 -51.41 71.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.502 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -54.88 -43.91 73.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.602 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.4 mm100 -58.44 -48.76 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.158 0.504 . . . . 0.0 110.599 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' B' ' 2' ' ' VAL . 70.0 mt -63.39 -37.23 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.21 -39.43 90.2 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 82.6 mttt -68.36 -39.83 81.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.37 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.3 -41.21 90.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.241 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.03 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.949 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 4.7 tp60 -67.31 -51.67 49.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.118 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -61.29 -41.55 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.315 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.72 -39.6 92.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.549 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.2 74.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.555 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.768 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 82.2 mt-10 -57.08 -54.59 45.07 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -50.39 -44.27 54.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.565 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -61.74 -42.06 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.329 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 22.5 mt -62.1 -53.24 58.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.685 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.47 -40.81 92.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.471 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -44.46 91.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.457 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.1 tp10 -65.93 -41.97 90.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.821 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG13 HD11 ' B' ' 26' ' ' LEU . 25.4 t -60.16 -45.04 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.183 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.71 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -60.39 -50.28 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.44 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB2' HD13 ' B' ' 26' ' ' LEU . 45.0 mt -62.98 -47.66 82.19 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.464 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -58.61 -40.95 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.19 -42.71 75.45 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.533 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -76.19 -32.42 59.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.064 0.459 . . . . 0.0 111.358 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.615 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 46.6 t -76.28 -39.86 53.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.21 73.15 0.47 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.903 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.589 0 O-C-N 122.804 -0.233 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.791 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 8.1 tp10 -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.429 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 5' ' ' LEU . 47.0 t -58.46 -51.92 65.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.677 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 0.8 OUTLIER -57.16 -41.77 79.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.514 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.791 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.51 -42.81 88.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.583 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 9' ' ' VAL . 94.9 mt -73.21 -32.09 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.6 mtpt -63.03 -37.69 88.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.459 . . . . 0.0 110.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.68 -36.36 80.55 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -64.48 -46.22 83.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.912 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 5' ' ' LEU . 93.5 t -58.9 -47.8 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.797 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.561 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.688 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 12' ' ' ALA . 33.1 mt -68.97 -54.06 17.36 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.527 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -52.87 -39.83 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.6 91.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.867 0.365 . . . . 0.0 110.554 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.99 -39.2 76.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.609 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -62.2 -42.26 99.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.309 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.9 t80 -57.48 -51.1 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.55 89.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.58 -36.88 85.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.452 ' HG3' HD13 ' A' ' 19' ' ' LEU . 90.9 mttt -65.47 -34.11 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 75.4 mm-40 -69.28 -34.34 74.58 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.8 mtpt -64.47 -45.59 86.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.282 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.3 t -59.16 -48.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.576 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 16.8 pt20 -68.29 -31.84 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.093 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.59 68.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 109.583 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 87.2 mt -64.67 -36.97 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.713 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.702 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 0.4 OUTLIER -65.07 -38.86 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.26 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -74.04 -42.18 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.288 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.615 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 40.0 ttpt -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.319 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 80.9 m -137.64 -59.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.806 0.336 . . . . 0.0 111.535 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.702 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 104.5 -53.97 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.221 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 O-C-N 123.043 -0.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -75.98 159.4 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.024 0.203 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t -51.84 -52.38 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.235 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.49 77.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.67 -50.89 69.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 110.108 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.68 -39.32 87.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.163 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.63 -40.71 95.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.28 -33.93 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.766 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -70.38 -45.45 66.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.297 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.22 -44.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -28.4 68.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -69.61 -49.73 51.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.105 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.81 -44.42 81.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.426 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -57.96 -44.5 87.08 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.568 0.223 . . . . 0.0 111.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.67 66.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 6.1 tt0 -57.11 -46.96 82.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.109 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.66 -44.56 81.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.14 -42.0 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.657 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.09 -41.42 81.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.6 mt -60.78 -55.98 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.992 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' B' ' 15' ' ' ARG . 69.5 mm-40 -59.85 -35.91 75.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 3.2 tp60 -64.39 -45.01 89.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.137 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -68.22 -41.95 80.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.968 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.98 -47.32 90.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.012 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.91 88.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.273 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -46.97 82.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.497 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HB2' HD13 ' B' ' 26' ' ' LEU . 95.4 mt -65.92 -54.46 26.17 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.355 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' OE2' HD21 ' B' ' 26' ' ' LEU . 35.8 mm-40 -57.75 -43.13 85.21 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.58 -45.48 91.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.32 -24.67 37.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.147 0.499 . . . . 0.0 110.965 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m -107.71 52.32 0.72 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.197 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.43 -53.69 0.54 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.156 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.559 0 O-C-N 122.706 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.751 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.4 tp10 -82.13 134.62 35.33 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.078 0.236 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.04 -59.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.693 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 4.1 tp-100 -58.61 -37.37 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.751 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.47 -46.12 89.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.037 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.7 mt -66.42 -33.99 76.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 59.2 mtpt -62.7 -41.9 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -68.85 -34.52 75.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.6 t -63.16 -50.43 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.603 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 99.1 mm-40 -57.74 -37.06 72.94 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.442 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -48.99 55.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.6 mt -61.12 -49.52 76.95 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -58.63 -35.95 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.917 0.136 . . . . 0.0 111.094 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.47 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.197 0.523 . . . . 0.0 110.045 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 20' ' ' GLU . 14.4 tpt180 -75.69 -38.84 58.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.549 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -63.25 -46.31 87.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.023 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.493 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 25.8 t80 -58.05 -48.49 79.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.506 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.57 -46.28 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.546 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.5 -37.16 80.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.37 -39.37 94.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.5 mm-40 -67.24 -33.05 74.51 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 24.0 mmmt -64.14 -50.57 67.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.694 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.8 t -55.62 -50.15 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.862 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.05 -31.52 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.988 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.87 61.74 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.195 0.521 . . . . 0.0 109.976 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.4 mt -63.75 -46.84 83.51 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.039 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 23.5 mtt-85 -66.71 -20.66 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.395 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -82.08 -44.31 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 34.5 ttpt -74.24 -47.39 35.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.9 t -147.17 87.64 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.867 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.63 137.17 14.13 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.182 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 O-C-N 122.75 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.517 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.0 tp10 -74.3 158.53 33.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.7 t -53.49 -52.97 27.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.014 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.56 71.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 111.583 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 11.4 mm100 -66.12 -44.78 83.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.69 . . . . 0.0 110.323 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 77.7 mt -66.07 -37.82 86.76 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -63.13 -44.18 96.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.733 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -71.42 -24.52 62.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -78.42 -39.86 37.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.599 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' LEU . 39.3 t -61.73 -46.8 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.14 70.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.694 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -71.9 -46.4 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.685 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.89 -46.11 86.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.229 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -59.72 -36.06 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.709 0.631 . . . . 0.0 110.226 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.18 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.717 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.8 mt-10 -65.68 -51.95 55.39 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.59 -49.27 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.201 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 26.2 t80 -56.31 -38.44 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -78.38 -41.88 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mt -56.42 -49.24 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.13 -38.25 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.614 0.245 . . . . 0.0 111.275 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.0 mt-30 -67.94 -44.11 77.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 109.924 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -64.18 -43.04 96.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.749 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 26' ' ' LEU . 20.5 t -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.16 80.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.727 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.85 -48.51 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.375 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' B' ' 26' ' ' LEU . 95.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -61.74 -40.46 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 111.203 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -71.53 -35.6 70.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.997 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -86.55 -29.57 22.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.392 . . . . 0.0 111.921 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.807 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 51.1 t -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.841 0.353 . . . . 0.0 110.993 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.53 30.03 8.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.25 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 122.795 -0.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.7 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 12.1 pt-20 -81.71 169.05 17.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.878 0.37 . . . . 0.0 111.288 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 8.2 t -57.65 -51.09 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.806 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -57.79 -37.88 74.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.136 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.7 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -64.88 -46.42 81.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.942 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 95.8 mt -67.52 -33.82 75.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.679 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 61.9 mtpt -63.95 -41.46 97.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -63.02 -47.32 83.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 5' ' ' LEU . 64.7 t -60.58 -47.95 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.329 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 64.5 mm-40 -63.84 -39.97 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.351 0.596 . . . . 0.0 109.594 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 12' ' ' ALA . 29.6 mt -68.65 -49.82 56.13 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.928 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -55.2 -41.61 72.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.56 93.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.833 0.349 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.67 -42.01 64.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.145 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.72 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.375 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 5.5 t80 -59.62 -51.74 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.674 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.27 97.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.299 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.41 -29.36 70.44 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.608 0.242 . . . . 0.0 110.73 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.2 mm-40 -77.52 -42.52 35.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.667 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 25.0 mtpp -58.78 -45.87 88.83 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.063 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.9 t -53.06 -53.04 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 123.2 0.313 . . . . 0.0 110.756 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -65.73 -38.99 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.36 83.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 70.0 mt -64.82 -40.73 95.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.048 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.756 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 2.9 mtp-105 -64.65 -34.47 78.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.254 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -75.41 -45.27 39.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.231 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.807 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 38.8 ttpt -63.88 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.324 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 89.2 m -140.15 -62.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 111.085 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 97.09 -157.86 21.11 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.895 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.633 0 O-C-N 122.716 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.633 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 27.3 tp10 -71.17 154.35 41.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.4 -51.8 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.297 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.22 79.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.98 0.419 . . . . 0.0 111.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 9.2 mm100 -62.97 -47.94 81.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.364 0.602 . . . . 0.0 109.933 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' B' ' 5' ' ' LEU . 85.0 mt -61.17 -40.08 92.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.009 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -59.86 -43.75 94.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.084 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.415 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.93 -43.04 36.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.665 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -62.32 -47.63 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.56 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.622 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 11' ' ' GLN . 3.0 tp60 -72.19 -49.71 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.636 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.44 -39.95 92.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.758 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.489 ' OE2' HD21 ' B' ' 12' ' ' LEU . 17.9 mm-40 -59.3 -42.17 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.213 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.67 96.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.239 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.4 mt-10 -64.7 -51.41 62.56 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 14.9 t-20 -52.98 -45.32 67.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.398 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.79 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.69 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 1.4 pp0? -80.0 -26.62 39.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 14.5 mt -64.19 -36.79 85.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 16' ' ' ASN . 5.4 mm-40 -62.66 -47.39 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -64.67 -41.25 96.2 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.049 0.452 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' OE2' HG11 ' B' ' 23' ' ' VAL . 7.7 tt0 -63.29 -42.81 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 HD11 ' B' ' 26' ' ' LEU . 24.1 t -67.28 -45.43 86.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.42 82.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.967 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.03 -51.88 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.635 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 83.8 mt -64.36 -42.17 96.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.587 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.07 -43.22 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.477 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -64.36 -42.7 96.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.423 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.74 -25.7 61.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.0 t -89.71 4.5 49.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.248 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.6 32.91 5.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.802 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 122.825 -0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.728 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.2 pt-20 -90.2 171.82 9.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 65.3 t -58.39 -53.09 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.974 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 62.9 tt0 -59.44 -36.26 75.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.487 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.728 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.53 -47.44 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.45 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.8 mt -72.96 -34.19 66.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.238 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.3 mtpt -62.08 -41.48 98.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 21.0 mmmt -70.39 -31.03 68.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 24.1 tpt180 -65.47 -43.21 91.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.424 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 5' ' ' LEU . 65.9 t -59.46 -47.33 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.87 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.8 -43.24 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.382 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.54 96.91 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 12' ' ' ALA . 40.2 mt -65.92 -56.12 13.39 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 12' ' ' ALA . 5.2 mptp? -54.73 -40.6 69.42 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.252 0.548 . . . . 0.0 109.933 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 0.3 OUTLIER -69.75 -41.87 74.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.93 178.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -60.91 -42.71 98.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.24 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.55 -43.46 98.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.812 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -67.08 -36.98 83.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.439 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -71.39 -36.46 71.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.191 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -63.62 -43.52 96.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.633 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.688 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 10.2 pt20 -71.79 -18.68 62.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.649 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mmmt -72.56 -49.31 33.39 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 19' ' ' ALA . 46.5 t -55.78 -51.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.752 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.688 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 14.4 pt20 -65.76 -31.39 72.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.656 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.7 -42.8 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.231 0.539 . . . . 0.0 109.639 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 92.5 mt -64.85 -44.09 90.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.667 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.635 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 89.4 mtt180 -64.53 -24.21 67.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.031 0.443 . . . . 0.0 110.824 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -79.07 -41.48 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.939 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.1 -45.7 26.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.484 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -140.93 68.26 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.377 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.58 -171.22 32.46 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 117.115 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 31.4 tp10 -75.51 154.56 36.84 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.601 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 38.5 t -49.38 -58.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -50.52 -46.21 57.11 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.546 0.529 . . . . 0.0 111.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.543 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.1 mm100 -59.55 -43.4 93.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.496 0.665 . . . . 0.0 110.763 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.463 HD11 HG13 ' B' ' 2' ' ' VAL . 95.1 mt -67.61 -35.74 79.52 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.722 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 2' ' ' VAL . 14.0 mt-10 -61.8 -40.24 94.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 83.7 mttt -68.41 -34.6 76.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -72.41 -44.04 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.46 -43.68 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.44 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.393 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.19 -49.85 58.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.389 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.68 -41.45 90.72 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.518 0.511 . . . . 0.0 110.49 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.85 72.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.738 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 89.8 mt-10 -63.82 -50.11 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.084 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.09 -44.87 64.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.602 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.04 -39.36 85.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.709 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -78.0 -35.98 49.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.489 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.8 mt -58.61 -44.91 90.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.58 -43.25 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.386 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.89 -42.42 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -45.41 82.89 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.214 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG13 HD11 ' B' ' 26' ' ' LEU . 29.4 t -61.8 -45.99 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.37 84.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.74 -51.7 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.22 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 95.5 mt -61.83 -43.91 97.91 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.18 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.0 110.158 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -71.54 -36.35 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -70.19 -33.42 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.566 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.39 -46.79 30.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.63 125.33 1.03 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.053 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 122.854 -0.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 78.8 tt0 -84.21 143.35 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.553 0.216 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.463 HG13 HD11 ' A' ' 5' ' ' LEU . 48.6 t -58.38 -54.67 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.414 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 32.0 tt0 -55.14 -41.32 71.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.251 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -64.75 -47.79 76.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.53 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.6 mt -66.87 -36.54 82.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.968 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.7 mtpt -62.49 -41.21 98.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.32 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 13.2 mptt -67.72 -30.87 70.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -66.63 -45.35 79.34 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.1 t -57.69 -48.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.759 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.71 -39.73 94.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.391 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.683 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.612 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 31.8 mt -61.51 -50.71 71.63 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -57.89 -34.87 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.383 0.135 . . . . 0.0 110.916 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.89 81.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.282 0.563 . . . . 0.0 109.893 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -46.4 66.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.211 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.73 -42.64 84.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.998 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 2.2 t80 -58.04 -50.78 72.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.182 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.24 87.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.24 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.08 -39.78 87.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.767 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.32 -38.56 90.53 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 60.7 mm-40 -66.02 -37.94 87.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 4.1 mmtm -61.42 -45.79 92.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.714 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 19' ' ' ALA . 88.7 t -57.93 -48.24 84.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.137 0.494 . . . . 0.0 110.538 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -66.05 -39.14 89.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.01 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.379 0.609 . . . . 0.0 109.784 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -63.63 -36.95 85.52 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.72 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.473 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -38.69 91.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.154 0.502 . . . . 0.0 110.202 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -67.8 -45.15 75.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -74.02 -47.76 34.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.48 88.83 1.8 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.164 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.29 83.94 1.38 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.188 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 122.698 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -70.48 164.09 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.223 0.327 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 t -55.21 -45.71 77.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.579 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.58 81.89 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.542 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.69 -47.19 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.2 mt -64.98 -39.62 93.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -61.01 -41.05 95.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -68.12 -34.82 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.071 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.89 -45.81 59.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.02 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD11 ' B' ' 12' ' ' LEU . 59.2 t -62.44 -42.34 95.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -27.97 66.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.445 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -71.51 -48.32 49.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.297 0.57 . . . . 0.0 109.486 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.558 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.38 -43.24 81.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.466 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.49 -36.4 80.38 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.163 0.29 . . . . 0.0 111.1 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -53.68 50.09 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.749 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 12.2 tt0 -57.91 -51.98 67.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.136 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.412 HD21 ' HG2' ' B' ' 15' ' ' ARG . 21.9 t-20 -53.04 -46.98 68.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 17.1 t80 -58.23 -41.04 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.964 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.6 -36.97 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.5 mt -67.24 -54.89 16.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.792 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.39 -27.77 68.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.449 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 28.9 tp60 -68.29 -37.56 80.77 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 tt0 -72.57 -44.17 62.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.823 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 53.1 t -58.74 -49.99 80.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.921 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.91 86.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.37 -48.55 77.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.115 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 76.6 mt -62.38 -55.67 25.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -53.57 -47.9 69.67 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.689 0.281 . . . . 0.0 111.731 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -60.5 -51.36 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.588 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.97 -26.9 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.88 18.29 12.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.622 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.86 71.25 0.63 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.409 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 158.09 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.993 0.183 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 12.5 t -55.91 -55.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.73 -39.39 77.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -45.7 91.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.039 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 61.4 mt -65.91 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.4 mtpt -61.56 -41.39 97.3 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.32 -34.28 75.84 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.81 -43.02 99.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.6 t -62.72 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.378 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.81 -41.31 90.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.764 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.81 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.851 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.4 mt -65.73 -52.37 51.79 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.605 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.87 -41.1 77.39 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.026 0.204 . . . . 0.0 111.246 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.99 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 110.332 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 19.5 ttt180 -72.32 -40.89 67.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.701 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.425 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.0 m120 -61.93 -40.59 96.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.788 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 1.1 t80 -57.56 -53.76 54.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.65 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.92 96.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.906 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.478 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.1 -40.3 93.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.13 -37.92 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.828 0.347 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 62.0 mm-40 -71.99 -39.81 68.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 5.3 mmtp -57.31 -50.79 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.34 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 19' ' ' ALA . 76.0 t -54.73 -51.16 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.06 -33.02 73.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.703 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.96 75.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 83.8 mt -65.76 -39.01 90.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.454 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -46.54 88.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.184 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -69.63 -47.3 63.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.17 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -72.24 -38.21 68.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 34.7 t -131.6 -73.08 0.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.773 0.32 . . . . 0.0 111.3 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.6 -153.19 17.21 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 O-C-N 122.463 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 1.006 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 73.2 tt0 -63.64 150.9 43.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.663 0.268 . . . . 0.0 111.056 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.67 -50.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.557 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.75 79.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.235 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 1.006 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 79.8 mm-40 -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 109.941 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 9' ' ' VAL . 95.9 mt -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.478 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.93 -40.35 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 110.308 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -67.16 -40.82 86.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.747 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.63 -42.61 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' LEU . 71.8 t -63.6 -42.09 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.41 66.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.589 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -70.29 -51.23 31.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.62 -43.47 89.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.313 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.83 -40.26 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.082 0.239 . . . . 0.0 111.202 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 18' ' ' GLN . . . -66.04 -46.9 76.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.806 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.6 mt-10 -63.45 -46.07 87.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.946 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -55.68 -41.05 73.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.011 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -58.42 -47.76 82.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.291 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 7.3 pt20 -75.23 -25.12 57.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.576 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 39.8 mt -68.7 -48.05 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.32 -33.65 76.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.069 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.93 -46.6 84.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.738 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' B' ' 23' ' ' VAL . 4.2 tp10 -68.61 -46.01 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.045 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.488 HG13 HD11 ' B' ' 26' ' ' LEU . 32.7 t -57.5 -43.45 82.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.19 86.58 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -60.08 -48.53 81.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.6 mt -66.36 -48.23 70.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.613 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.63 -43.18 97.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.019 0.438 . . . . 0.0 110.74 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -62.34 -38.63 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.281 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.34 -31.65 58.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.622 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 m -67.32 -49.16 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 0.0 109.99 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.24 84.33 0.12 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.62 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 122.898 -0.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.35 148.85 38.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 43.1 t -54.28 -54.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.267 0.355 . . . . 0.0 110.683 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 41.7 tt0 -60.54 -43.26 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.198 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.67 78.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -71.62 -28.35 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.167 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.3 mtpt -65.18 -43.2 92.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -64.09 -35.32 80.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.114 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -64.6 -48.14 76.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.775 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.4 t -57.48 -50.84 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -62.18 -40.19 95.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.269 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.24 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.176 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.614 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 51.6 mt -63.39 -50.62 69.16 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.955 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -56.7 -41.19 76.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.92 83.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 109.742 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -63.8 -42.98 97.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.452 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -62.63 -45.76 91.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.832 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.09 77.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.38 -39.57 91.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.31 -39.05 93.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.497 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 46.5 mm-40 -68.23 -33.88 75.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.553 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.5 OUTLIER -62.23 -44.32 96.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.815 178.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 22' ' ' GLU . 95.5 t -56.44 -52.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.547 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -67.32 -33.3 74.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.14 -44.57 83.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.254 0.55 . . . . 0.0 109.598 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 89.4 mt -66.72 -42.37 86.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.134 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.5 mtt-85 -67.76 -14.28 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.341 0.591 . . . . 0.0 110.851 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -88.97 -38.1 14.71 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.98 -45.71 17.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.224 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 31.1 m -122.44 9.53 9.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' B' ' 27' ' ' ARG . . . -86.57 170.39 42.26 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.025 -1.083 . . . . 0.0 111.763 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 4' ' ' GLN . 43.5 mt-10 -85.65 171.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.856 0.36 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.45 -48.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.04 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.083 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.438 ' HG2' ' HB2' ' A' ' 1' ' ' GLU . 13.1 mm100 -62.12 -50.55 71.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.232 0.539 . . . . 0.0 110.162 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 HG13 ' B' ' 2' ' ' VAL . 78.3 mt -64.37 -34.99 79.43 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.813 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.7 -40.1 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.569 0.224 . . . . 0.0 110.418 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.12 -34.1 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 33.0 tp10 -72.22 -39.56 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.921 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -66.38 -46.05 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.021 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 52.5 tp60 -65.07 -50.89 64.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.706 0.765 . . . . 0.0 109.052 178.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.29 -44.28 83.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 8' ' ' ARG . 26.9 mt-10 -64.61 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.279 0.362 . . . . 0.0 111.606 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.76 86.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.761 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 48.1 mt-10 -66.96 -48.65 67.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.567 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -51.87 -43.67 63.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -56.9 -44.4 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.76 -43.63 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.83 -51.22 69.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.48 -33.42 75.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -71.08 -45.11 64.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -50.88 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.696 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.35 76.62 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.081 0.467 . . . . 0.0 110.73 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -62.6 -50.9 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 94.7 mt -61.38 -46.08 91.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.812 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.09 -44.69 94.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.176 0.513 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -66.18 -44.6 83.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.426 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -73.51 -22.81 60.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.1 t -79.72 -16.12 56.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.997 0.427 . . . . 0.0 110.39 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.98 -75.75 0.38 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.774 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.639 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.3 pm0 -83.32 168.71 16.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.308 . . . . 0.0 111.073 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 5' ' ' LEU . 15.4 t -54.95 -54.88 19.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.985 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.566 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 61.1 tp60 -61.33 -30.89 70.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.653 0.263 . . . . 0.0 110.743 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.02 -47.15 69.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.106 0.479 . . . . 0.0 110.653 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.478 ' O ' HG23 ' B' ' 9' ' ' VAL . 92.8 mt -69.23 -26.13 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.636 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.566 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 62.9 mtpt -64.34 -38.73 92.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.3 mmmt -68.98 -35.34 76.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.164 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' A' ' 13' ' ' GLU . 29.8 tpt180 -64.4 -45.61 86.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.627 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 5' ' ' LEU . 66.1 t -58.4 -49.87 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.656 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 10.6 mm-40 -62.8 -42.78 99.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.76 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.082 0.468 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.58 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.7 mt -74.11 -56.28 5.1 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.4 mptp? -53.17 -37.59 62.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.239 0.337 . . . . 0.0 111.717 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.24 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.081 0.467 . . . . 0.0 110.225 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -39.85 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.766 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.2 -41.07 98.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -60.88 -46.23 91.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.37 78.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.05 -41.52 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.305 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.55 -44.72 93.16 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 110.808 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 60.8 mt-30 -66.16 -31.28 72.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -67.75 -44.62 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 73.1 t -59.72 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 19.3 pt20 -65.63 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.27 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.85 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.327 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -65.48 -41.6 93.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -68.89 -22.42 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.306 0.574 . . . . 0.0 110.576 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.43 -40.74 25.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.528 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -77.68 -46.39 22.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.71 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 71.3 m -141.12 61.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.494 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.69 24.69 7.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.074 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.606 0 O-C-N 122.921 -0.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -82.67 163.69 21.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.55 -51.75 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.201 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.24 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.723 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -65.94 -51.01 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.192 0.52 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.6 -39.74 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.74 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.33 -40.98 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.473 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.37 -29.39 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -72.98 -40.91 64.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.483 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.97 -48.89 72.42 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.719 0.771 . . . . 0.0 109.265 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.83 -44.75 84.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.816 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -59.44 -39.07 82.37 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.481 0.488 . . . . 0.0 110.389 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.79 86.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.32 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.2 mt-10 -65.68 -50.07 66.24 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.422 HD21 ' HG2' ' B' ' 15' ' ' ARG . 8.7 t-20 -51.25 -45.26 61.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.13 -43.0 77.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.609 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.49 -36.79 60.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.232 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mt -64.22 -52.94 56.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.595 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.21 -37.7 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.432 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -43.39 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.189 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.717 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG13 HD11 ' B' ' 26' ' ' LEU . 24.7 t -61.25 -42.31 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.344 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.46 83.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.952 0.406 . . . . 0.0 110.014 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 63.2 tt0 -59.48 -50.15 75.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.459 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 91.6 mt -60.57 -50.4 73.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.63 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -57.11 -39.73 75.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -64.75 -38.51 91.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.679 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 5.4 mm-40 -78.04 -28.48 49.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.188 0.518 . . . . 0.0 110.916 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.6 m -68.37 -27.21 66.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.402 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.3 -66.6 2.15 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.09 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.578 0 O-C-N 122.663 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 39.8 tt0 -90.64 123.71 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.831 0.348 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 71.8 t -56.93 -54.13 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.87 -37.33 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.327 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -62.95 -49.17 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.164 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 1' ' ' GLU . 84.9 mt -65.04 -36.17 83.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.8 mtpt -59.4 -45.41 91.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 0.0 110.273 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -31.93 72.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.691 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 18.8 tpt180 -64.58 -45.01 88.83 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.557 HG13 ' HE3' ' B' ' 13' ' ' LYS . 53.7 t -58.72 -50.07 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.408 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.53 -40.24 96.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.15 95.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 0.0 110.459 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 42.0 mt -66.42 -53.06 40.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.557 ' HE3' HG13 ' B' ' 9' ' ' VAL . 3.1 mptp? -56.27 -34.67 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.174 0.296 . . . . 0.0 111.106 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -46.07 80.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.0 109.858 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.7 tpt180 -69.7 -38.24 76.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.11 -39.85 95.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.053 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 50.1 t80 -60.32 -54.73 42.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.236 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.77 97.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.578 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.17 -41.56 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -60.46 -35.46 75.94 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.0 mm-40 -74.67 -39.69 61.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.87 -47.4 85.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.602 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 19' ' ' ALA . 68.1 t -57.22 -48.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.49 -36.31 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.02 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 110.373 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 23' ' ' VAL . 94.5 mt -62.27 -45.03 95.09 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.072 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 1.074 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 80.5 mtt180 -64.51 -27.67 69.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 111.272 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -78.74 -44.23 23.88 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.375 0.607 . . . . 0.0 110.017 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.06 -48.83 56.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.024 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.4 -21.57 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 1.074 ' HA3' ' HA ' ' B' ' 27' ' ' ARG . . . -38.79 -58.79 1.77 Allowed Glycine 0 C--N 1.337 0.638 0 O-C-N 123.389 0.431 . . . . 0.0 113.998 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 122.466 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.467 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 38.4 tt0 -79.95 157.96 26.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.209 0.318 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.5 t -51.57 -51.14 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.729 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.35 -42.25 81.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 110.778 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.6 mm100 -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.527 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD11 HG13 ' B' ' 2' ' ' VAL . 62.5 mt -65.73 -36.92 84.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.36 -39.46 93.21 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 92.3 mttt -67.34 -36.42 81.38 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.497 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -68.52 -40.99 80.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.742 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.34 -45.3 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -26.65 68.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.509 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -69.31 -51.47 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.626 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.01 -39.15 93.47 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.072 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -61.29 -42.97 99.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.301 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.27 84.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.871 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.9 mt-10 -62.37 -49.68 74.59 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.725 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.58 -48.55 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.623 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.59 -42.31 78.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.018 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.12 -40.95 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.339 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 15.5 mt -62.36 -51.39 67.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.83 -41.47 91.39 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -68.4 -39.16 81.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tt0 -65.78 -40.9 92.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.812 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.856 HG13 HD11 ' B' ' 26' ' ' LEU . 40.7 t -59.68 -46.82 92.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.49 96.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -62.09 -47.4 84.82 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.484 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 40.9 mt -59.1 -46.21 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.88 -44.96 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 0.0 110.292 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -66.48 -43.2 86.05 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.645 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.675 0.274 . . . . 0.0 110.899 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.78 -45.59 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.881 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.96 131.18 2.14 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 O-C-N 122.806 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 38.0 tt0 -90.9 134.88 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.529 0.204 . . . . 0.0 110.522 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 5' ' ' LEU . 55.1 t -58.78 -53.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.183 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -44.19 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 109.868 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -59.37 -46.35 88.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.437 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.5 mt -67.82 -34.78 77.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.644 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -61.83 -41.83 98.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -69.42 -32.32 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.9 t -59.39 -48.18 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.998 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.24 -36.01 82.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.435 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.59 85.7 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.178 0.513 . . . . 0.0 109.707 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 12' ' ' ALA . 34.9 mt -64.91 -46.78 80.26 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.001 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.65 -40.69 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.123 0.264 . . . . 0.0 110.926 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.9 89.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.053 0.454 . . . . 0.0 110.548 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -70.17 -39.91 75.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.1 -44.98 95.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.193 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.0 -46.75 87.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.95 94.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.767 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.06 -43.34 95.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' A' ' 19' ' ' LEU . 48.9 mttm -59.31 -40.38 86.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.38 -42.32 88.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -60.05 -43.17 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.194 178.453 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.5 t -58.88 -52.33 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.808 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.25 -38.49 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.219 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.41 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 23' ' ' VAL . 74.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.483 0.659 . . . . 0.0 110.198 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.555 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 12.6 ttt-85 -65.51 -31.42 72.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.087 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -80.43 -48.36 12.99 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.247 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -64.45 -44.67 90.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.819 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 t -129.13 -63.06 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.031 0.444 . . . . 0.0 111.422 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 125.38 -35.64 3.02 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.685 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 O-C-N 123.061 -0.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.706 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 75.0 tt0 -72.08 152.99 41.98 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.64 -50.74 72.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.329 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.905 0.384 . . . . 0.0 111.209 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.706 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.9 mm100 -63.83 -42.19 97.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.432 0.634 . . . . 0.0 110.178 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' VAL . 79.8 mt -71.32 -35.23 71.15 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.983 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.21 -40.93 94.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.042 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -74.28 -19.62 60.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 0.0 109.674 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -80.69 -45.87 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -62.92 -45.25 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.9 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -27.3 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.777 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.42 -48.32 56.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -68.5 -44.83 73.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.738 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.52 -39.05 75.69 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.497 0.498 . . . . 0.0 110.868 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.11 66.83 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.251 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.754 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 61.6 mt-10 -64.11 -53.04 55.79 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.053 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -48.56 -48.65 38.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.477 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -41.72 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.86 -39.38 56.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 38.2 mt -57.51 -48.4 79.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.355 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.64 -42.5 98.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -63.55 -38.84 92.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' B' ' 23' ' ' VAL . 45.8 tp10 -70.42 -46.43 63.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.434 HG13 HD11 ' B' ' 26' ' ' LEU . 47.6 t -59.32 -48.11 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.76 80.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -64.02 -50.48 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.658 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.0 mt -61.8 -45.29 94.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.408 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -62.17 -42.85 99.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.061 0.458 . . . . 0.0 110.577 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -64.39 -45.25 88.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.238 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 5.1 mm-40 -72.21 -26.61 62.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 111.41 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.7 t -79.97 -0.95 37.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.635 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.86 -14.84 58.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.239 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 122.725 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 5' ' ' LEU . 5.4 tp10 -91.3 137.2 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.1 t -59.53 -52.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.512 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.24 -35.78 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.373 0.606 . . . . 0.0 110.591 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -69.5 -48.14 61.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.536 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.3 mt -65.89 -34.7 78.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.532 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -61.81 -42.47 99.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.58 -32.53 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.828 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.383 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 52.6 mm-40 -57.9 -43.9 86.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.78 -48.49 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.609 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 48.0 mt -59.72 -52.11 66.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.64 -36.98 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.003 0.189 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -70.14 -46.97 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.417 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.8 m120 -56.81 -40.55 76.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.46 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -60.42 -53.43 57.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.954 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.72 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.87 -42.64 94.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.511 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -57.22 -41.68 79.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.29 -36.04 71.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.232 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -66.02 -43.99 86.03 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 22' ' ' GLU . 78.7 t -57.35 -52.76 52.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.0 -33.49 76.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.46 -44.29 62.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.145 0.498 . . . . 0.0 110.569 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 95.6 mt -65.12 -43.71 91.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.782 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.464 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.5 OUTLIER -65.62 -26.4 67.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.179 0.514 . . . . 0.0 111.019 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -81.41 -39.79 24.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -82.34 -42.32 18.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.001 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -140.35 49.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.902 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' B' ' 27' ' ' ARG . . . -129.99 116.69 2.14 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.826 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 116.866 0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp10 -90.8 141.43 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.541 HG22 HG23 ' B' ' 2' ' ' VAL . 19.2 t -61.81 -44.91 99.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.7 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.46 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.2 mm100 -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 110.56 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 84.6 mt -63.43 -38.17 90.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -60.69 -44.11 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.43 -35.85 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.31 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -72.04 -43.33 65.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.41 -46.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.49 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.51 -52.16 14.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.338 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.9 -41.79 95.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.211 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.49 -46.45 88.77 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.14 0.275 . . . . 0.0 110.862 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.47 87.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.73 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.7 tt0 -58.34 -52.32 66.11 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.018 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 18.2 t-20 -54.18 -48.46 70.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -55.07 -43.98 74.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.508 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.66 -32.89 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 43.7 mt -67.28 -38.78 85.61 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 35.0 mt-10 -62.11 -48.52 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.353 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.13 -38.41 90.53 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.32 -44.38 96.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.759 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD11 ' B' ' 26' ' ' LEU . 26.8 t -65.87 -47.22 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.221 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.88 83.54 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.835 0.35 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 37.8 tt0 -59.71 -54.55 45.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.363 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 90.7 mt -59.42 -44.34 92.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.46 -45.04 89.42 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.319 0.58 . . . . 0.0 110.271 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -69.16 -50.14 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.867 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 77.4 mm-40 -61.22 -29.12 69.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.14 0.495 . . . . 0.0 111.399 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 5.8 t -66.88 -29.65 69.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.445 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.79 -12.74 80.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.547 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 O-C-N 122.446 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.946 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 2.7 mp0 -91.26 68.39 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.452 0.644 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 2' ' ' VAL . 3.4 t -60.32 -47.68 91.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.444 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.644 HE21 ' HD3' ' B' ' 7' ' ' LYS . 47.7 tp60 -59.85 -41.82 92.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.379 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.946 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -62.19 -43.85 97.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.987 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.2 mt -67.36 -33.06 74.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.471 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 51.2 mtpt -62.85 -40.46 97.52 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.644 ' HD3' HE21 ' B' ' 3' ' ' GLN . 11.6 mmmm -68.61 -34.29 75.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -63.8 -45.38 89.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.529 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.3 t -59.01 -49.04 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.259 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.4 -44.99 92.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.347 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.9 92.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.462 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 12' ' ' ALA . 53.2 mt -64.52 -52.99 54.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.069 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.2 mptp? -55.96 -37.27 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.164 0.29 . . . . 0.0 111.066 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.45 99.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.017 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -73.19 -45.04 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.25 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.637 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.7 m120 -58.7 -40.78 84.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.87 -49.68 73.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.537 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.08 92.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.572 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.61 -39.98 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -63.93 -44.82 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.733 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 mp0 -67.57 -23.78 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 109.615 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.1 tmtt? -76.27 -47.85 22.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 19' ' ' ALA . 71.1 t -58.08 -47.22 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.599 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 2.6 pt20 -65.85 -39.77 91.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.603 ' HA ' ' ND1' ' B' ' 28' ' ' HIS . . . -64.04 -44.54 92.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.1 mt -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -65.89 -40.65 91.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.603 ' ND1' ' HA ' ' B' ' 25' ' ' ALA . 0.4 OUTLIER -77.06 -60.84 2.2 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 122.315 1.055 . . . . 0.0 109.944 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -53.12 -24.4 10.27 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 112.317 -2.22 . . . . 0.0 112.705 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.01 -46.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.1 -32.44 20.34 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.376 -0.44 . . . . 0.0 113.821 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 O-C-N 122.584 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.477 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 -75.9 158.24 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.71 -48.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.36 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.06 -39.39 74.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.388 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.477 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.0 mm100 -63.05 -46.85 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.516 0.674 . . . . 0.0 110.133 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 89.5 mt -65.36 -35.2 80.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.319 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -60.13 -42.11 94.08 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 91.5 mttt -64.53 -40.37 95.49 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.399 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -65.78 -45.73 81.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG21 HD22 ' B' ' 5' ' ' LEU . 56.5 t -62.49 -47.65 91.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.764 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 22.9 tp60 -69.06 -45.46 70.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.681 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.5 -45.18 76.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' B' ' 12' ' ' LEU . 51.3 mt-10 -62.74 -36.41 82.94 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.451 0.47 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.73 77.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt-10 -60.77 -54.71 41.86 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.56 -48.73 27.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.458 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.53 -39.63 84.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.836 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -77.64 -31.37 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.536 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.2 mt -63.81 -46.43 85.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.75 -37.88 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -65.17 -45.28 85.55 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.048 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -64.3 -42.86 96.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.032 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.543 HG13 HD11 ' B' ' 26' ' ' LEU . 24.4 t -58.93 -47.68 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.081 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.16 83.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.487 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 60.0 tp60 -62.4 -54.92 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.483 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 96.5 mt -59.67 -41.15 89.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.05 -38.16 85.2 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.464 0.65 . . . . 0.0 109.784 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -72.84 -40.08 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.576 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 55.9 mm-40 -66.49 -37.51 85.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.304 0.573 . . . . 0.0 110.225 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 t -74.78 -52.45 11.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.477 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.75 111.83 1.11 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.981 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 O-C-N 122.637 -0.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 13.2 tp10 -91.33 130.37 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 48.5 t -65.26 -49.47 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.131 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.55 -40.66 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 110.164 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.801 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.56 -39.54 80.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.124 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 9' ' ' VAL . 65.8 mt -78.39 -35.32 47.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.7 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.2 mtpt -59.97 -44.3 94.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.37 -33.22 74.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -64.04 -45.57 88.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 5' ' ' LEU . 72.3 t -59.07 -47.62 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.54 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -62.67 -42.16 99.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.254 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 12' ' ' ALA . 42.6 mt -67.87 -52.68 33.76 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.624 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -54.06 -38.31 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.249 0.343 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -46.66 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.149 0.5 . . . . 0.0 109.674 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.26 -43.03 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.236 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.7 m120 -61.01 -42.86 99.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.467 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -45.67 90.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -64.38 -34.87 79.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.08 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.502 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -78.34 -37.45 44.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -60.75 -47.17 87.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.552 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 7.7 pt20 -65.82 -26.65 67.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.843 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.8 mmmm -67.7 -48.16 67.34 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 19' ' ' ALA . 62.5 t -57.92 -48.61 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.158 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.502 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 -47.97 65.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' VAL . 93.3 mt -62.82 -43.39 98.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.611 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 6.1 ttt85 -69.0 -19.62 64.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.071 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -85.89 -46.47 10.56 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -68.41 -47.62 66.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.313 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 89.2 m -137.86 71.04 1.39 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.714 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.88 167.04 39.44 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.691 0 O-C-N 122.557 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.546 ' H1 ' HG21 ' B' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.234 0.259 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -92.81 99.56 12.21 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.202 0.525 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -75.57 -36.19 33.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.17 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.701 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.81 -45.85 91.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.279 0.561 . . . . 0.0 110.659 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 2' ' ' VAL . 49.8 mt -67.68 -33.24 74.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.31 -41.03 92.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.58 -38.31 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.095 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -67.89 -44.05 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.405 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 5' ' ' LEU . 59.2 t -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.74 -24.97 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.935 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -69.87 -51.97 28.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -66.48 -43.84 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.643 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' OE2' HD21 ' B' ' 12' ' ' LEU . 29.4 mm-40 -56.49 -43.46 79.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.474 0.484 . . . . 0.0 111.277 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -49.54 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.716 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 49.4 mt-10 -66.86 -45.44 78.14 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.485 0.491 . . . . 0.0 109.959 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.49 -44.61 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.213 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.55 -34.47 70.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.135 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.8 mt -67.02 -50.08 63.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.42 -41.57 89.83 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.075 0.464 . . . . 0.0 109.887 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.34 -41.4 96.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.56 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -72.15 -41.99 66.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 26' ' ' LEU . 36.8 t -59.53 -49.66 82.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.637 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.61 72.58 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.457 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.29 -51.03 71.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.648 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.618 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 94.8 mt -62.55 -43.7 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.442 0.639 . . . . 0.0 109.832 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -67.49 -43.93 79.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.6 -33.77 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 49.9 t -71.86 -39.78 69.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.641 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.35 149.0 23.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.388 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 6.8 pt-20 -90.41 168.52 11.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.602 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.546 HG21 ' H1 ' ' A' ' 0' ' ' ACE . 14.9 t -58.28 -51.9 65.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.057 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.87 -36.52 74.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.523 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.01 -45.95 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.487 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.1 mt -67.69 -33.21 74.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.147 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.76 -40.17 94.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -70.32 -34.65 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -63.28 -44.61 94.61 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.318 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.675 HG13 ' HE3' ' B' ' 13' ' ' LYS . 76.4 t -58.04 -53.96 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.677 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.33 -39.05 81.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.27 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 109.89 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 12' ' ' ALA . 35.7 mt -66.04 -49.36 67.97 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.675 ' HE3' HG13 ' B' ' 9' ' ' VAL . 19.8 mmtp -59.29 -41.73 89.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 111.096 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.79 73.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.121 0.486 . . . . 0.0 110.318 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -80.45 -39.8 27.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.793 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.05 -41.42 99.48 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.272 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -60.63 -47.49 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.317 0.579 . . . . 0.0 109.69 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.65 89.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.871 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.15 -42.07 98.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.291 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.94 -41.21 95.82 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 0.9 OUTLIER -69.21 -31.76 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.692 178.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.562 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mtpp -67.25 -46.3 74.14 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 19' ' ' ALA . 90.1 t -55.92 -49.03 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.466 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 3.6 pt20 -68.77 -30.99 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.641 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.56 -44.19 29.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.889 0.376 . . . . 0.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.1 mt -62.3 -43.29 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.195 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.618 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 35.7 mtt-85 -64.95 -29.62 70.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -76.74 -43.4 37.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.0 109.799 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.523 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 38.5 ttpt -73.08 -46.89 48.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.354 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 82.5 m -142.06 79.74 1.68 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.111 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.79 -117.32 3.9 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.135 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 122.743 -0.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 2.1 tp10 -71.47 152.05 43.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.18 -53.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.216 0.322 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.71 75.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 111.268 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.681 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 71.3 mm-40 -57.09 -47.46 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.548 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.55 -41.54 96.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.869 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -59.44 -40.96 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.49 -32.07 70.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.258 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -73.62 -41.61 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.077 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.688 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.6 -26.76 67.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.983 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -70.11 -49.78 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.375 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -68.57 -40.76 80.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.577 ' OE2' HD21 ' B' ' 12' ' ' LEU . 33.3 mm-40 -57.32 -41.82 80.65 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.407 0.442 . . . . 0.0 110.649 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -52.02 65.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.35 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.748 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 66.2 mt-10 -61.27 -47.6 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.79 -43.9 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.531 0.52 . . . . 0.0 110.839 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.19 -43.84 92.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.129 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -69.39 -36.58 76.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.211 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.0 mt -66.1 -54.3 27.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.391 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -58.77 -40.24 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.69 -41.47 99.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.214 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -70.87 -45.6 64.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.349 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.5 t -57.81 -48.02 84.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.615 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.38 -45.7 76.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.977 0.418 . . . . 0.0 110.433 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -62.13 -53.15 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.764 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 89.5 mt -60.07 -47.21 86.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.964 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.39 -41.4 97.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.766 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -67.22 -42.04 84.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.222 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.91 -35.8 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.976 0.417 . . . . 0.0 110.747 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.54 -41.26 80.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.972 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.83 36.22 4.54 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.977 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 O-C-N 122.9 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.689 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 32.9 tp10 -90.53 122.3 33.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 110.571 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 64.8 t -54.61 -57.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.214 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 40.9 tt0 -57.61 -41.47 81.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.689 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.68 -48.79 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.716 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.521 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.4 mt -65.74 -32.29 73.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 60.8 mtpt -64.26 -39.94 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -66.8 -36.65 82.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.212 178.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -63.69 -46.04 87.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.598 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 5' ' ' LEU . 71.4 t -58.15 -49.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 8.4 mm-40 -65.93 -36.73 84.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.316 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.78 90.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.193 0.521 . . . . 0.0 109.771 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.577 HD21 ' OE2' ' A' ' 13' ' ' GLU . 33.3 mt -65.09 -51.13 63.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 5.5 mptp? -55.5 -38.05 68.65 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.493 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.53 95.13 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.263 0.554 . . . . 0.0 110.238 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -73.84 -45.79 49.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.7 m120 -59.13 -46.23 88.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.93 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 2.2 t80 -58.54 -41.64 85.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.63 -46.42 31.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.345 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.78 -39.72 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.642 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.71 -40.64 88.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.363 . . . . 0.0 110.477 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.94 -33.61 70.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 7.4 mmtt -64.18 -48.31 76.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.771 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 19' ' ' ALA . 63.0 t -55.7 -49.22 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 110.582 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -65.49 -37.36 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.01 68.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.436 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.4 mt -63.4 -42.53 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.824 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 27.3 mtt-85 -67.28 -25.83 66.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.985 0.421 . . . . 0.0 110.984 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -81.21 -42.12 21.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.204 0.526 . . . . 0.0 109.858 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -75.04 -43.37 53.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.301 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 73.0 m -144.61 81.17 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.563 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.52 109.54 0.76 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.109 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.893 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 33.4 tt0 -81.22 144.1 31.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.79 -47.35 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.927 0.394 . . . . 0.0 111.514 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.893 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 85.7 mm-40 -65.72 -48.25 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.578 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.64 -38.53 85.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.042 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -60.24 -42.85 96.13 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.09 -33.22 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.8 -44.15 70.63 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.89 -45.98 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.467 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.78 68.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.976 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -67.82 -48.65 65.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -69.52 -43.94 72.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.588 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -55.05 -43.61 73.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.55 0.531 . . . . 0.0 111.314 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -58.02 -53.24 60.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.721 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.808 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 58.8 mt-10 -63.95 -49.75 71.35 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.184 179.096 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -51.4 -46.48 62.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 42.9 t80 -55.88 -44.56 78.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 83.2 mt-30 -70.2 -42.78 71.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 26.9 mt -58.55 -52.55 65.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.326 -179.192 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -60.5 -41.74 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 85.7 mt-30 -64.83 -42.89 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.308 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 8.5 tp10 -64.34 -44.93 89.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.799 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -57.66 -46.81 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.181 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.67 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.223 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -55.72 31.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.377 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' B' ' 26' ' ' LEU . 78.5 mt -58.42 -48.43 80.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -60.23 -42.52 95.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.305 0.574 . . . . 0.0 111.469 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -69.17 -31.24 69.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.054 -178.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -90.69 -28.53 18.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.821 0.343 . . . . 0.0 111.501 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.8 t -84.5 -32.91 23.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.362 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.29 47.21 0.64 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.09 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 122.84 -0.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.9 pt-20 -85.08 173.87 10.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.469 0.176 . . . . 0.0 111.231 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.91 -54.08 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -60.98 -36.28 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.708 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.427 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.84 -47.13 72.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.215 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.523 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.6 mt -69.25 -37.05 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.079 -178.47 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.36 -38.57 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.71 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -72.9 -31.94 65.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -65.34 -42.2 93.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' B' ' 13' ' ' LYS . 70.7 t -58.94 -53.67 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.732 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -58.65 -41.75 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.0 96.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 0.0 110.38 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.499 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -67.08 -51.93 48.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.379 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.576 ' HE3' HG13 ' B' ' 9' ' ' VAL . 16.7 mmtp -57.12 -39.33 74.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 110.594 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.96 79.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -76.26 -44.48 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.713 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.31 -47.35 83.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.13 -46.08 89.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.22 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.281 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.47 -39.79 94.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.816 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.41 -37.45 80.88 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.69 0.281 . . . . 0.0 111.029 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.3 -28.63 57.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.6 mmtm -68.87 -48.64 62.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 177.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 19' ' ' ALA . 83.1 t -55.03 -48.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.736 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.12 -40.78 96.94 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.252 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.523 ' HA ' ' ND1' ' B' ' 28' ' ' HIS . . . -65.05 -46.95 79.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 26' ' ' LEU . 87.2 mt -63.32 -29.75 71.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.719 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -47.18 78.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.785 178.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' HIS . . . . . 0.523 ' ND1' ' HA ' ' B' ' 25' ' ' ALA . 1.6 m80 -68.59 -53.88 20.04 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-O 121.772 0.796 . . . . 0.0 109.632 178.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -44.33 -33.56 1.67 Allowed 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 112.763 -2.017 . . . . 0.0 111.374 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 m -155.45 -70.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.41 -68.66 2.38 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.236 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 122.749 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.73 150.58 42.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.47 -47.14 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.603 0.24 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.24 77.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 111.144 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -61.21 -49.82 75.61 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.155 179.052 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 89.6 mt -63.63 -37.77 88.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.714 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.411 178.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.12 -31.47 70.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.375 0.607 . . . . 0.0 110.154 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -74.45 -44.94 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.217 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.37 -44.04 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.57 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.836 178.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -65.96 -51.88 54.61 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.072 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.61 -43.6 84.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.371 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -39.18 76.93 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.308 0.38 . . . . 0.0 111.702 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.24 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.362 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.736 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 52.8 mt-10 -62.55 -52.15 64.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.711 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.34 -46.92 47.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.235 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -56.16 -40.48 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.121 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -83.28 -28.75 28.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.804 -179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.7 mt -66.57 -52.66 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.47 -37.44 83.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.254 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -65.65 -44.05 87.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.892 179.316 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.28 -44.5 83.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 HD11 ' B' ' 26' ' ' LEU . 44.3 t -57.81 -46.1 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.234 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.71 82.67 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.0 tt0 -58.03 -50.95 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.691 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 79.5 mt -64.83 -46.06 83.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.219 -179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.89 -38.95 83.71 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.206 0.527 . . . . 0.0 110.114 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -68.48 -37.79 80.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.972 179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 66.5 mm-40 -68.32 -38.04 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.312 0.577 . . . . 0.0 109.709 178.51 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 m -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.601 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.33 65.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.162 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 122.577 -0.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.1 pm0 -80.62 167.94 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.486 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.9 t -52.16 -56.69 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.123 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.58 -28.84 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.049 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.67 -45.56 71.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.13 0.49 . . . . 0.0 110.532 179.267 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -72.35 -34.98 68.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.727 -179.452 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 62.3 mtpt -58.25 -46.16 86.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.104 179.426 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.94 -32.0 72.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.011 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.06 -42.29 94.35 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.582 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 56.1 t -60.5 -51.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.595 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.54 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.583 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.27 81.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 43.0 mt -63.27 -53.04 59.12 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.716 179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 2.9 mptp? -56.33 -36.83 69.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.317 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.66 88.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.176 0.512 . . . . 0.0 110.279 179.019 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -71.93 -42.65 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -59.93 -47.24 86.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.369 179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.34 -45.92 76.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.453 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.92 66.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.68 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.79 -36.48 83.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.952 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.45 -38.94 82.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.1 mmmt -62.95 -51.65 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.498 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.0 t -54.21 -49.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.35 -36.44 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.97 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.478 . . . . 0.0 110.624 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 85.4 mt -66.29 -42.71 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.712 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 26' ' ' LEU . 37.8 mtt180 -66.07 -21.76 66.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.308 0.575 . . . . 0.0 110.841 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -78.82 -32.84 46.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.317 0.579 . . . . 0.0 110.169 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -89.02 -42.95 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.62 -179.23 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -135.27 56.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.2 30.82 0.27 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.593 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.487 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.4 tp10 -71.54 159.41 34.5 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.158 0.286 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -53.13 -53.38 22.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.77 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 111.05 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.487 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 99.4 mm-40 -58.65 -48.77 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.682 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 97.2 mt -61.68 -42.85 99.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.22 -41.2 83.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.006 0.431 . . . . 0.0 110.516 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -36.29 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.123 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.64 -39.86 80.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.699 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.0 t -62.4 -47.24 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.874 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -69.82 -52.0 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.558 0.694 . . . . 0.0 109.323 179.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -63.91 -41.8 97.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.41 -40.86 88.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.22 83.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.287 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.704 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 14.1 mt-10 -63.11 -51.12 67.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.25 178.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -51.48 -46.36 63.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.936 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.59 -41.52 81.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.993 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -75.53 -36.68 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 35.5 mt -60.72 -48.54 81.32 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -65.71 -43.64 88.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.381 178.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 23.5 tp10 -64.56 -46.74 81.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.745 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 26' ' ' LEU . 40.6 t -60.44 -48.17 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.665 179.202 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.34 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.779 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.14 -47.0 84.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.302 179.583 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 81.3 mt -63.09 -47.14 84.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -58.34 -41.43 84.64 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.513 0.673 . . . . 0.0 110.43 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.037 -179.092 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -79.51 -31.75 42.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.22 -43.06 68.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.043 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.42 73.77 2.46 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.331 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 122.705 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.59 ' HG2' ' H ' ' B' ' 4' ' ' ALA . 11.3 pm0 -82.09 164.8 21.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.87 0.366 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 41.8 t -57.67 -48.88 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.185 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 47.2 tt0 -59.01 -39.84 83.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.888 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.59 ' H ' ' HG2' ' B' ' 1' ' ' GLU . . . -56.84 -49.06 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.995 179.522 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 96.0 mt -69.15 -33.21 73.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.652 -179.528 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.9 mtpt -64.19 -40.26 95.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.949 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.6 -35.93 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -64.02 -45.89 86.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.526 178.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.3 t -60.57 -47.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.108 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.24 -40.16 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.368 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.38 75.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 0.0 110.1 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 53.7 mt -62.55 -53.16 58.76 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -56.09 -36.82 68.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.954 -0.112 . . . . 0.0 110.766 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.43 91.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -67.07 -44.58 79.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 109.264 178.389 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.476 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.12 -45.91 92.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.568 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -72.33 -41.27 66.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.574 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -57.92 -49.3 77.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.53 0.205 . . . . 0.0 111.493 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -65.46 -29.23 69.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.486 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -67.39 -43.44 81.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.815 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 19' ' ' ALA . 89.5 t -59.33 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.068 178.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -61.95 -37.15 83.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.68 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.2 mt -65.33 -36.98 85.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.589 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HD2' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.27 -37.67 87.91 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.459 0.647 . . . . 0.0 109.475 178.308 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -70.36 -44.89 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.029 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.72 -63.94 0.69 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 82.85 -65.51 4.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.825 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.608 0 O-C-N 122.73 -0.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.891 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 44.7 tt0 -91.34 144.27 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.451 0.167 . . . . 0.0 110.592 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.47 -43.8 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.528 ' H ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.89 -43.26 90.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 94.7 mm-40 -59.93 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.495 0.664 . . . . 0.0 110.001 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 93.9 mt -63.92 -38.4 90.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.703 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -58.85 -40.62 84.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.222 178.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 93.3 mttt -69.05 -36.34 77.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.94 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.46 -40.82 70.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.475 179.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' LEU . 69.5 t -65.41 -46.52 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -24.61 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.485 178.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -70.93 -52.66 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 109.45 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.18 -45.1 77.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.789 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG2' HD21 ' B' ' 12' ' ' LEU . 19.3 mt-10 -57.54 -40.27 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -52.25 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.696 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 3.0 tt0 -57.15 -50.06 73.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.887 178.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.43 HD21 ' HG2' ' B' ' 15' ' ' ARG . 24.0 t-20 -51.2 -50.22 59.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.417 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -36.58 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.448 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.71 -34.04 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.792 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.1 mt -64.54 -53.08 53.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.15 -27.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.63 0.252 . . . . 0.0 110.545 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.36 -41.04 70.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.8 tp10 -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.876 HG13 HD11 ' B' ' 26' ' ' LEU . 53.4 t -59.11 -49.84 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.165 178.257 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.79 95.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.854 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.76 -51.57 69.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.584 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 73.6 mt -60.0 -47.45 85.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.39 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.05 -44.07 97.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 110.772 179.474 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -62.11 -46.01 90.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.111 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -71.4 -28.38 63.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.45 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 30' ' ' CYS . 41.5 t -76.69 -50.49 13.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.96 54.82 0.1 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.115 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 -86.77 163.5 17.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.812 0.339 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.2 t -55.0 -52.73 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.5 -32.94 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.592 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.453 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -63.7 -47.39 81.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.017 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 82.8 mt -70.13 -36.64 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.371 -179.414 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 50.2 mtpt -59.91 -43.04 95.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HE2' ' B' ' 7' ' ' LYS . 0.2 OUTLIER -67.2 -29.53 69.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.963 178.372 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 20.9 tpt180 -68.15 -47.43 68.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.641 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.15 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.86 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.36 -42.43 86.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.12 81.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.456 179.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.7 mt -62.2 -54.59 38.71 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.314 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.09 -36.91 68.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.508 0.194 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.12 93.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.272 178.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.43 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.1 tpt180 -73.15 -40.08 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.663 178.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -59.95 -48.96 79.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.153 179.367 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -58.94 -43.39 91.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.048 179.289 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -47.58 72.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.503 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.38 -33.93 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.157 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 16' ' ' ASN . 98.5 mttt -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 73.5 mm-40 -74.41 -33.25 62.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.119 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.9 mmmm -62.07 -45.42 93.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.694 177.634 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 19' ' ' ALA . 59.5 t -55.75 -50.91 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.171 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -61.98 -41.06 97.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.49 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.73 89.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.907 -179.443 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.876 HD11 HG13 ' A' ' 23' ' ' VAL . 85.4 mt -67.35 -40.72 85.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.477 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 28.9 mtt-85 -67.37 -25.68 66.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.239 0.543 . . . . 0.0 109.865 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -75.84 -43.09 47.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.989 178.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.26 -49.25 76.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.969 179.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 54.8 m -136.33 -81.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.729 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 113.76 -97.41 0.85 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.504 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 122.71 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.65 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.2 tp10 -70.24 154.49 41.85 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.295 0.372 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.59 -49.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.064 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.11 80.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.311 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.65 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.2 mm100 -65.82 -44.09 86.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.395 0.617 . . . . 0.0 109.877 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 73.0 mt -66.87 -36.14 81.65 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.235 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.29 -41.7 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.566 178.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -71.34 -22.16 61.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.092 0.473 . . . . 0.0 109.857 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -80.24 -42.72 22.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD11 ' B' ' 12' ' ' LEU . 54.7 t -62.89 -45.1 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.102 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.63 69.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.611 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 3.5 tp-100 -69.79 -51.01 37.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.056 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -62.53 -41.75 99.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.218 179.198 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.91 -37.41 82.15 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.499 0.5 . . . . 0.0 111.269 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.1 85.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.279 0.562 . . . . 0.0 110.233 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 19.5 tp10 -68.35 -48.78 63.93 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.172 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.423 HD21 ' HG2' ' B' ' 15' ' ' ARG . 19.6 t-20 -53.39 -45.78 69.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.396 178.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.2 -43.58 78.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.491 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -71.07 -30.96 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.941 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 41.7 mt -68.62 -51.03 46.68 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.56 -37.11 80.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.237 179.019 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -65.47 -43.6 89.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.523 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.9 tp10 -66.67 -47.64 71.86 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.949 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 HD11 ' B' ' 26' ' ' LEU . 43.0 t -57.27 -46.8 85.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.681 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.18 85.05 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.229 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.26 -53.17 48.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.76 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 64.2 mt -56.86 -46.75 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.353 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.47 -41.55 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.371 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.18 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -73.79 -25.58 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 110.295 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' B' ' 30' ' ' CYS . 52.6 t -81.1 -29.06 34.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.298 179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.9 63.73 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.933 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 122.882 -0.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 -90.83 173.01 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.419 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 51.2 t -56.31 -54.19 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.219 179.33 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.11 -32.6 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.476 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -65.98 -44.23 85.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.6 mt -74.61 -34.59 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.717 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.58 0.229 . . . . 0.0 110.516 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.82 -31.69 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.575 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 22.8 tpt180 -65.41 -44.98 85.73 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.879 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 5' ' ' LEU . 86.6 t -61.06 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.179 178.662 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -62.25 -36.79 83.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.67 80.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 110.103 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 12' ' ' ALA . 25.1 mt -62.33 -48.69 78.73 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.338 179.22 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.24 -38.92 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.0 0.188 . . . . 0.0 111.397 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.53 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.26 0.552 . . . . 0.0 109.74 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.423 ' HG2' HD21 ' A' ' 16' ' ' ASN . 9.5 tpt180 -67.49 -39.51 85.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.489 179.02 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.55 -42.19 95.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.529 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.57 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.994 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.573 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -69.74 -39.99 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -61.65 -47.17 86.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.315 . . . . 0.0 110.872 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 8.1 pt20 -68.39 -27.7 66.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 14.2 mttp -65.5 -46.77 78.39 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.009 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.4 t -54.42 -50.51 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.158 178.605 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.08 -41.99 98.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.262 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.54 71.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.461 HD11 HG13 ' A' ' 23' ' ' VAL . 88.9 mt -62.08 -40.88 97.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.76 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 12.0 ttt180 -65.89 -38.58 89.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.74 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -72.66 -45.01 61.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.87 -41.99 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.683 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 88.8 m -136.69 -63.25 0.62 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.903 -179.384 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.76 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 100.29 -147.04 17.94 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.36 -179.166 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.602 0 O-C-N 122.706 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 1.088 ' HB3' ' HG3' ' A' ' 4' ' ' GLN . 14.4 tp10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.555 0.217 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 t -57.15 -49.11 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.43 76.78 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 1.088 ' HG3' ' HB3' ' A' ' 1' ' ' GLU . 37.9 mt-30 -63.75 -46.91 83.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.118 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 HG13 ' B' ' 2' ' ' VAL . 89.3 mt -64.25 -37.83 88.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.615 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -64.29 -40.96 97.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.848 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -72.23 -23.48 61.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 109.714 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.13 -42.5 26.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.2 t -62.79 -43.15 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.18 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.833 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.73 -50.62 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.13 -44.36 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.744 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -58.55 -43.38 89.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.545 0.528 . . . . 0.0 111.093 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.36 86.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.75 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 98.4 mt-10 -66.01 -50.13 65.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.76 -48.03 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.934 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.77 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 51.1 t80 -55.8 -43.45 76.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.773 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.88 -41.65 67.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.918 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 19.7 mt -57.41 -47.29 82.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.214 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.19 -34.95 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.77 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 91.3 mm-40 -66.87 -46.13 75.94 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.272 0.558 . . . . 0.0 109.662 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.35 -44.19 79.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.43 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 HG22 ' B' ' 23' ' ' VAL . 33.2 t -60.58 -47.46 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.32 87.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.054 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.61 -51.26 58.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' B' ' 26' ' ' LEU . 86.1 mt -58.83 -39.42 81.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 0.0 110.42 178.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 6.9 tp10 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' LEU . 42.5 t -57.26 -53.89 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.18 -38.61 73.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.468 . . . . 0.0 110.431 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -65.1 -49.14 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.229 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 97.1 mt -63.89 -34.38 77.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -67.75 -30.45 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -65.73 -45.18 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 74.2 t -60.07 -47.89 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.155 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 97.8 mm-40 -63.25 -40.84 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.373 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.43 92.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 109.747 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.1 mt -63.53 -51.86 63.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.282 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -56.58 -37.77 71.06 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.286 0.366 . . . . 0.0 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.83 97.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.841 0.353 . . . . 0.0 110.336 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -74.44 -37.61 63.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.951 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.18 -45.18 89.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.507 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 0.3 OUTLIER -59.16 -44.58 92.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.268 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.8 71.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.556 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.49 -43.72 96.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.68 -46.25 81.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -62.31 -38.84 90.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.2 mmmm -62.49 -48.43 79.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' B' ' 19' ' ' ALA . 42.6 t -58.36 -48.31 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.673 0.273 . . . . 0.0 111.314 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.82 -30.6 68.15 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.999 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.77 75.95 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 26' ' ' LEU . 96.8 mt -69.75 -32.99 71.82 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.293 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -27.52 66.25 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.703 0.763 . . . . 0.0 109.165 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -80.37 -42.5 22.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.771 0.795 . . . . 0.0 108.968 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.244 -179.079 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 41.3 tp10 . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.622 0.248 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.28 -53.25 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.58 -38.15 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.578 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.3 mm100 -63.99 -48.2 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.325 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.4 mt -65.06 -36.46 84.42 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.531 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.76 -42.12 92.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.23 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -67.05 -33.82 76.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.36 0.6 . . . . 0.0 109.888 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.89 -42.67 60.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.693 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.65 -44.39 98.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.53 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.541 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -66.04 -53.61 36.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.645 0.736 . . . . 0.0 109.113 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -64.85 -43.89 91.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.722 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.39 -47.47 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.18 0.3 . . . . 0.0 111.445 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 93.0 mt-10 -65.47 -49.76 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.103 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -52.35 -45.55 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.29 -40.77 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.799 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -73.42 -39.69 64.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.303 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 13.4 mt -62.75 -48.57 78.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.71 -37.18 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.702 0.287 . . . . 0.0 110.253 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.85 -45.15 93.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.99 -45.12 78.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.371 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 HD11 ' B' ' 26' ' ' LEU . 36.4 t -56.61 -44.38 80.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.283 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.65 95.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.12 -50.55 72.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mt -62.51 -47.11 85.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.633 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HG2' HD13 ' B' ' 26' ' ' LEU . 6.6 mm-40 . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.376 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.553 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 54.8 t -55.87 -50.28 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -62.09 -37.36 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.39 98.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 9' ' ' VAL . 85.3 mt -69.95 -31.95 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.23 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.3 mtpt -61.46 -39.24 90.15 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.7 -35.06 79.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.62 -46.15 83.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.532 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 91.9 t -57.45 -50.37 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.643 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.0 -40.94 90.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.36 77.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.2 mt -63.18 -52.57 61.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.248 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.3 mptp? -56.95 -36.37 70.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.054 0.221 . . . . 0.0 110.576 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.07 99.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.231 0.538 . . . . 0.0 109.73 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.8 -46.25 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.891 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.9 m120 -57.48 -45.19 85.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.833 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -60.22 -44.06 95.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.89 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.385 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.468 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.21 -39.07 91.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -60.9 -36.31 78.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.182 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -69.44 -41.66 76.0 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.038 -0.726 . . . . 0.0 109.038 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.637 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 26.8 mmmt -57.84 -49.68 75.84 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.857 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.0 t -52.93 -54.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.228 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.252 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.39 72.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.722 0.296 . . . . 0.0 111.038 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 83.5 mt -67.11 -37.46 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.555 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.7 mtp85 -66.37 -32.02 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.296 0.569 . . . . 0.0 109.556 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -75.65 -45.4 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' B' ' 26' ' ' LEU . 84.1 tttt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.34 -56.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.457 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -53.56 -44.56 69.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.169 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.6 mm100 -55.71 -52.32 64.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 93.4 mt -61.72 -41.95 98.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.842 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.08 -41.93 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 9.2 mtpm? -70.06 -36.7 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.498 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.46 -39.18 81.51 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 51.9 t -64.48 -49.36 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.183 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.5 70.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.5 -47.5 72.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.96 -45.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.852 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.63 -44.44 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.624 0.578 . . . . 0.0 110.634 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -61.48 -50.42 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.28 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 96.9 mt-10 -61.21 -49.15 78.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.116 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.433 HD21 ' HG2' ' B' ' 15' ' ' ARG . 13.6 t-20 -50.14 -48.64 53.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.839 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.348 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 80.5 mt-30 -71.02 -43.18 68.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 16.8 mt -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.315 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.146 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 68.2 mt-30 -65.64 -41.72 92.31 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.0 tp10 -67.81 -45.88 73.5 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.565 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 HD11 ' B' ' 26' ' ' LEU . 52.3 t -56.91 -49.16 79.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.396 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.83 -48.3 74.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.661 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 80.4 mt -61.46 -45.61 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.312 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.053 0.454 . . . . 0.0 111.079 179.252 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.805 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 39.2 tp10 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.4 t -57.27 -51.41 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.471 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 38.1 tt0 -58.68 -43.24 89.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.286 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.805 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.88 -43.02 80.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.255 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -70.12 -34.77 73.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.195 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 59.1 mtpt -63.01 -40.91 99.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 11.5 mmmm -69.18 -36.1 76.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -61.74 -44.57 96.64 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 77.2 t -59.5 -53.8 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.278 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -57.36 -39.02 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.139 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.12 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -70.88 -50.33 36.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' B' ' 9' ' ' VAL . 53.2 mmtt -57.23 -39.19 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.839 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.32 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.125 0.488 . . . . 0.0 110.781 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.433 ' HG2' HD21 ' A' ' 16' ' ' ASN . 26.0 ttt180 -84.57 -41.4 16.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.42 0.629 . . . . 0.0 109.629 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -60.56 -46.84 88.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.039 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 11.0 t80 -59.51 -49.08 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.628 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.87 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.475 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.56 -38.73 91.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HG3' HD13 ' A' ' 19' ' ' LEU . 92.8 mttt -65.37 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.56 0.219 . . . . 0.0 110.619 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.6 mm-40 -73.59 -37.09 65.58 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.2 mtpp -63.22 -45.13 93.09 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.692 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 19' ' ' ALA . 94.4 t -53.54 -51.44 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.928 0.394 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.08 -41.66 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.698 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.91 65.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.512 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.697 HD11 HG13 ' A' ' 23' ' ' VAL . 69.1 mt -62.63 -39.24 93.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -66.42 -33.68 76.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.151 0.5 . . . . 0.0 109.906 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.29 -41.76 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.747 0.784 . . . . 0.0 109.158 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.936 179.628 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.575 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.8 tp10 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.68 -51.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.286 0.366 . . . . 0.0 110.774 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -33.97 69.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.604 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.8 mm100 -71.34 -41.81 69.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.596 0.712 . . . . 0.0 110.182 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 60.0 mt -69.43 -34.95 75.18 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.426 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -61.84 -40.11 94.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.9 ptpt -72.93 -25.97 61.23 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.218 0.532 . . . . 0.0 109.717 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -75.83 -42.92 48.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.231 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 78.2 t -63.8 -43.52 97.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.152 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.94 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.674 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -66.01 -53.5 37.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.22 -42.3 93.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.29 -46.03 76.2 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.516 0.51 . . . . 0.0 111.327 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.08 79.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.1 mt-10 -63.48 -46.91 83.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.196 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -52.33 -45.79 65.76 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.72 -41.64 95.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.27 -38.17 71.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 17.4 mt -61.38 -46.26 90.92 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.3 -44.14 92.56 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.51 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.2 -40.77 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.315 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 18.6 tp10 -64.39 -45.87 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 52.0 t -60.08 -48.89 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.603 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.35 83.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.921 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.22 -53.16 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.413 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 76.3 mt -61.43 -44.36 97.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.32 0.581 . . . . 0.0 110.125 178.542 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 6.2 tp10 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.713 0.292 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 60.1 t -56.16 -55.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.604 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.41 -40.61 78.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.141 0.496 . . . . 0.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -61.0 -46.77 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.159 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -65.07 -32.56 74.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.245 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.8 mtpt -64.11 -42.58 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.17 -32.09 71.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.918 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -63.87 -46.21 85.97 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 5' ' ' LEU . 70.7 t -58.75 -47.71 88.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.099 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.75 -43.46 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.85 99.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 109.99 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 12' ' ' ALA . 30.1 mt -64.29 -53.4 49.55 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.176 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -37.82 68.69 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.125 0.265 . . . . 0.0 111.395 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.16 88.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.63 -41.92 71.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.655 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 3.6 m120 -61.23 -36.51 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.196 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -63.67 -49.89 71.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.83 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.17 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.873 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -66.78 -37.73 85.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 4.8 tttm -60.7 -52.77 63.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.636 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.477 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.7 pt20 -68.84 -26.56 65.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.677 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.2 mttp -63.52 -46.03 87.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.1 t -56.79 -48.55 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.471 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.12 -33.62 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.77 74.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 95.8 mt -64.5 -43.63 93.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.325 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.537 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.2 mtt-85 -65.54 -22.88 66.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -76.62 -47.07 23.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.573 -179.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.6 tp10 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -53.5 -52.2 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.045 0.215 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.91 74.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.34 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.8 mm100 -64.55 -43.82 92.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.361 0.601 . . . . 0.0 110.203 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 2' ' ' VAL . 77.1 mt -66.71 -37.68 85.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.094 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -62.42 -42.66 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.59 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 18.4 ptpt -73.14 -25.23 60.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.233 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -75.53 -38.41 59.36 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -64.95 -46.22 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.865 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -31.81 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.536 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -64.42 -50.84 66.01 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.785 0.802 . . . . 0.0 108.985 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.25 -41.88 93.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.02 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.79 -43.1 90.42 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.357 0.411 . . . . 0.0 110.896 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.61 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.691 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 tt0 -57.39 -51.77 68.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.152 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.05 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.534 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 21.9 t80 -58.97 -37.57 77.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.003 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.8 -34.56 69.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.642 0.258 . . . . 0.0 110.617 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.7 mt -67.64 -49.69 61.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.552 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.62 -35.44 77.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.768 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.4 mt-30 -62.59 -41.92 99.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -66.92 -50.65 61.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.428 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.67 -51.7 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.751 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.51 78.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -62.47 -47.43 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' B' ' 26' ' ' LEU . 88.7 mt -62.27 -44.36 96.71 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.315 -0.924 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.691 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.2 pm0 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 111.53 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 5' ' ' LEU . 53.7 t -56.09 -55.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.035 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 53.0 tt0 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.354 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -62.57 -47.09 85.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 111.014 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.2 mt -69.43 -28.96 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 63.0 mtpt -64.18 -40.07 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.6 mmmt -69.19 -34.49 74.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -62.09 -44.31 96.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.105 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.9 t -62.62 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.596 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 96.5 mm-40 -64.79 -41.06 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.349 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.39 98.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 0.0 109.846 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 12' ' ' ALA . 44.4 mt -67.76 -50.03 59.3 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.406 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -54.24 -42.32 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.35 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.176 0.512 . . . . 0.0 110.358 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -70.34 -42.05 72.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.834 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.529 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.1 m120 -61.64 -47.03 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.98 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.66 -47.56 84.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.989 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.49 -37.34 82.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.812 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.551 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -73.49 -43.38 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 19' ' ' LEU . 91.4 mttt -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.36 -28.43 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.428 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 12.5 mtpt -70.75 -45.72 64.28 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 19' ' ' ALA . 61.7 t -56.0 -50.68 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.98 0.419 . . . . 0.0 110.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.11 -40.61 98.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.784 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -63.37 -44.96 93.26 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 90.0 mt -61.72 -35.15 77.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -55.08 39.72 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.899 178.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.784 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 2.0 m-70 -66.94 -52.09 47.22 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.463 0.649 . . . . 0.0 110.913 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 N--CA 1.44 -0.933 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.422 -176.059 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.602 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.2 tp10 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.02 -51.41 71.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.502 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -54.88 -43.91 73.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.602 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.4 mm100 -58.44 -48.76 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.158 0.504 . . . . 0.0 110.599 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' B' ' 2' ' ' VAL . 70.0 mt -63.39 -37.23 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.21 -39.43 90.2 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 82.6 mttt -68.36 -39.83 81.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.37 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.3 -41.21 90.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.241 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.03 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.949 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 4.7 tp60 -67.31 -51.67 49.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.118 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -61.29 -41.55 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.315 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.72 -39.6 92.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.549 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.2 74.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.555 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.768 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 82.2 mt-10 -57.08 -54.59 45.07 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -50.39 -44.27 54.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.565 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -61.74 -42.06 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.329 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 22.5 mt -62.1 -53.24 58.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.685 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.47 -40.81 92.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.471 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -44.46 91.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.457 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.1 tp10 -65.93 -41.97 90.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.821 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG13 HD11 ' B' ' 26' ' ' LEU . 25.4 t -60.16 -45.04 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.183 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.71 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.39 -50.28 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.44 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB2' HD13 ' B' ' 26' ' ' LEU . 45.0 mt -62.98 -47.66 82.19 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.464 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 179.572 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.791 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 8.1 tp10 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.002 0.429 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 5' ' ' LEU . 47.0 t -58.46 -51.92 65.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.677 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 0.8 OUTLIER -57.16 -41.77 79.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.514 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.791 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.51 -42.81 88.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.583 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 9' ' ' VAL . 94.9 mt -73.21 -32.09 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.6 mtpt -63.03 -37.69 88.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.459 . . . . 0.0 110.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.68 -36.36 80.55 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -64.48 -46.22 83.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.912 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 5' ' ' LEU . 93.5 t -58.9 -47.8 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.797 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.561 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.688 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 12' ' ' ALA . 33.1 mt -68.97 -54.06 17.36 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.527 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -52.87 -39.83 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.6 91.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.867 0.365 . . . . 0.0 110.554 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.99 -39.2 76.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.609 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -62.2 -42.26 99.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.309 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.9 t80 -57.48 -51.1 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.55 89.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.58 -36.88 85.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.452 ' HG3' HD13 ' A' ' 19' ' ' LEU . 90.9 mttt -65.47 -34.11 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 75.4 mm-40 -69.28 -34.34 74.58 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.8 mtpt -64.47 -45.59 86.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.282 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.3 t -59.16 -48.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.576 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 16.8 pt20 -68.29 -31.84 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.093 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.59 68.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 109.583 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 87.2 mt -64.67 -36.97 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.713 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.86 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.26 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -74.04 -42.18 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.288 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.319 -179.153 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t -51.84 -52.38 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.235 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.49 77.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.67 -50.89 69.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 110.108 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.68 -39.32 87.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.163 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.63 -40.71 95.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.28 -33.93 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.766 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -70.38 -45.45 66.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.297 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.22 -44.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -28.4 68.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -69.61 -49.73 51.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.105 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.81 -44.42 81.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.426 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -57.96 -44.5 87.08 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.568 0.223 . . . . 0.0 111.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.67 66.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 6.1 tt0 -57.11 -46.96 82.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.109 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.66 -44.56 81.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.14 -42.0 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.657 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.09 -41.42 81.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.6 mt -60.78 -55.98 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.992 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' B' ' 15' ' ' ARG . 69.5 mm-40 -59.85 -35.91 75.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 3.2 tp60 -64.39 -45.01 89.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.137 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -68.22 -41.95 80.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.968 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.98 -47.32 90.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.012 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.91 88.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.273 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -57.33 -46.97 82.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HB2' HD13 ' B' ' 26' ' ' LEU . 95.4 mt -65.92 -54.46 26.17 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.355 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' OE2' HD21 ' B' ' 26' ' ' LEU . 35.8 mm-40 . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.751 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.4 tp10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.536 0.208 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.04 -59.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.693 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 4.1 tp-100 -58.61 -37.37 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.751 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.47 -46.12 89.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.037 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.7 mt -66.42 -33.99 76.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 59.2 mtpt -62.7 -41.9 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -68.85 -34.52 75.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.6 t -63.16 -50.43 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.603 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 99.1 mm-40 -57.74 -37.06 72.94 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.442 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -48.99 55.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.6 mt -61.12 -49.52 76.95 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -58.63 -35.95 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.917 0.136 . . . . 0.0 111.094 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.47 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.197 0.523 . . . . 0.0 110.045 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 20' ' ' GLU . 14.4 tpt180 -75.69 -38.84 58.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.549 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -63.25 -46.31 87.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.023 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.493 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 25.8 t80 -58.05 -48.49 79.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.506 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.57 -46.28 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.546 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.5 -37.16 80.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.37 -39.37 94.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.5 mm-40 -67.24 -33.05 74.51 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 24.0 mmmt -64.14 -50.57 67.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.694 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.8 t -55.62 -50.15 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.862 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.05 -31.52 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.988 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.87 61.74 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.195 0.521 . . . . 0.0 109.976 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.4 mt -63.75 -46.84 83.51 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.039 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 23.5 mtt-85 -66.71 -20.66 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.395 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -82.08 -44.31 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 34.5 ttpt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.517 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.0 tp10 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.7 t -53.49 -52.97 27.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.014 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.56 71.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 111.583 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 11.4 mm100 -66.12 -44.78 83.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.69 . . . . 0.0 110.323 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 77.7 mt -66.07 -37.82 86.76 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -63.13 -44.18 96.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.733 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -71.42 -24.52 62.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -78.42 -39.86 37.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.599 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' LEU . 39.3 t -61.73 -46.8 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.14 70.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.694 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.9 -46.4 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.685 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.89 -46.11 86.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.229 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -59.72 -36.06 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.709 0.631 . . . . 0.0 110.226 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.18 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.717 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.8 mt-10 -65.68 -51.95 55.39 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.59 -49.27 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.201 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 26.2 t80 -56.31 -38.44 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -78.38 -41.88 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mt -56.42 -49.24 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.13 -38.25 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.614 0.245 . . . . 0.0 111.275 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.0 mt-30 -67.94 -44.11 77.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 109.924 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -64.18 -43.04 96.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.749 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 26' ' ' LEU . 20.5 t -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.16 80.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.727 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.85 -48.51 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.375 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' B' ' 26' ' ' LEU . 95.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 111.203 179.584 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.7 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 12.1 pt-20 . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.878 0.37 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 8.2 t -57.65 -51.09 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.806 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -57.79 -37.88 74.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.136 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.7 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -64.88 -46.42 81.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.942 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 95.8 mt -67.52 -33.82 75.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.679 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 61.9 mtpt -63.95 -41.46 97.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -63.02 -47.32 83.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 5' ' ' LEU . 64.7 t -60.58 -47.95 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.329 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 5.7 mm100 -63.84 -39.97 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.351 0.596 . . . . 0.0 109.594 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 12' ' ' ALA . 29.6 mt -68.65 -49.82 56.13 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.928 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -55.2 -41.61 72.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.56 93.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.833 0.349 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.67 -42.01 64.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.145 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.72 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.375 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 5.5 t80 -59.62 -51.74 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.674 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.27 97.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.299 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.41 -29.36 70.44 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.608 0.242 . . . . 0.0 110.73 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.2 mm-40 -77.52 -42.52 35.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.667 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 25.0 mtpp -58.78 -45.87 88.83 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.063 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.9 t -53.06 -53.04 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 123.2 0.313 . . . . 0.0 110.756 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -65.73 -38.99 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.36 83.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 70.0 mt -64.82 -40.73 95.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.048 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.412 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 2.9 mtp-105 -64.65 -34.47 78.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.254 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -75.41 -45.27 39.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.231 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.324 -179.54 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.633 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 27.3 tp10 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.4 -51.8 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.297 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.22 79.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.98 0.419 . . . . 0.0 111.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 9.2 mm100 -62.97 -47.94 81.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.364 0.602 . . . . 0.0 109.933 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' B' ' 5' ' ' LEU . 85.0 mt -61.17 -40.08 92.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.009 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -59.86 -43.75 94.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.084 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.415 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.93 -43.04 36.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.665 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -62.32 -47.63 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.56 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.622 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 11' ' ' GLN . 3.0 tp60 -72.19 -49.71 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.636 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.44 -39.95 92.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.758 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.489 ' OE2' HD21 ' B' ' 12' ' ' LEU . 17.9 mm-40 -59.3 -42.17 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.213 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.67 96.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.239 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.4 mt-10 -64.7 -51.41 62.56 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 14.9 t-20 -52.98 -45.32 67.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.398 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.79 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.69 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.0 -26.62 39.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 14.5 mt -64.19 -36.79 85.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 16' ' ' ASN . 5.4 mm-40 -62.66 -47.39 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -64.67 -41.25 96.2 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.049 0.452 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' OE2' HG11 ' B' ' 23' ' ' VAL . 7.7 tt0 -63.29 -42.81 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 HD11 ' B' ' 26' ' ' LEU . 24.1 t -67.28 -45.43 86.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.42 82.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.967 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.03 -51.88 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.635 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 83.8 mt -64.36 -42.17 96.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.587 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.477 179.142 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.728 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.2 pt-20 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.796 0.331 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 65.3 t -58.39 -53.09 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.974 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 8.1 tt0 -59.44 -36.26 75.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.487 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.728 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.53 -47.44 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.45 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.8 mt -72.96 -34.19 66.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.238 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.3 mtpt -62.08 -41.48 98.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 21.0 mmmt -70.39 -31.03 68.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 24.1 tpt180 -65.47 -43.21 91.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.424 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 5' ' ' LEU . 65.9 t -59.46 -47.33 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.87 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.8 -43.24 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.382 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.54 96.91 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 12' ' ' ALA . 40.2 mt -65.92 -56.12 13.39 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 12' ' ' ALA . 5.2 mptp? -54.73 -40.6 69.42 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.252 0.548 . . . . 0.0 109.933 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 0.3 OUTLIER -69.75 -41.87 74.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.93 178.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -60.91 -42.71 98.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.24 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.55 -43.46 98.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.812 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -67.08 -36.98 83.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.439 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -71.39 -36.46 71.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.191 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -63.62 -43.52 96.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.633 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.688 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 pt20 -71.79 -18.68 62.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.649 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mmmt -72.56 -49.31 33.39 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 19' ' ' ALA . 46.5 t -55.78 -51.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.752 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.688 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 22.7 pt20 -65.76 -31.39 72.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.656 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.7 -42.8 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.231 0.539 . . . . 0.0 109.639 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 92.5 mt -64.85 -44.09 90.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.667 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.635 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 89.4 mtt180 -64.53 -24.21 67.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.031 0.443 . . . . 0.0 110.824 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -79.07 -41.48 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.939 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttp . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.484 -179.245 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 31.4 tp10 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.601 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 38.5 t -49.38 -58.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -50.52 -46.21 57.11 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.546 0.529 . . . . 0.0 111.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.543 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.1 mm100 -59.55 -43.4 93.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.496 0.665 . . . . 0.0 110.763 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.463 HD11 HG13 ' B' ' 2' ' ' VAL . 95.1 mt -67.61 -35.74 79.52 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.722 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 2' ' ' VAL . 14.0 mt-10 -61.8 -40.24 94.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 83.7 mttt -68.41 -34.6 76.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -72.41 -44.04 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.46 -43.68 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.44 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.393 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.19 -49.85 58.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.389 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.68 -41.45 90.72 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.518 0.511 . . . . 0.0 110.49 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.85 72.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.738 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 89.8 mt-10 -63.82 -50.11 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.084 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.09 -44.87 64.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.602 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.04 -39.36 85.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.709 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -78.0 -35.98 49.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.489 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.8 mt -58.61 -44.91 90.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.58 -43.25 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.386 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -63.89 -42.42 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -45.41 82.89 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.214 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG13 HD11 ' B' ' 26' ' ' LEU . 29.4 t -61.8 -45.99 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.37 84.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.74 -51.7 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.22 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 95.5 mt -61.83 -43.91 97.91 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.0 110.158 179.091 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 78.8 tt0 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.553 0.216 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.463 HG13 HD11 ' A' ' 5' ' ' LEU . 48.6 t -58.38 -54.67 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.414 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 32.0 tt0 -55.14 -41.32 71.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.251 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -64.75 -47.79 76.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.53 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.6 mt -66.87 -36.54 82.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.968 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.7 mtpt -62.49 -41.21 98.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.32 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 13.2 mptt -67.72 -30.87 70.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -66.63 -45.35 79.34 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.1 t -57.69 -48.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.759 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.71 -39.73 94.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.391 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.683 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.612 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 31.8 mt -61.51 -50.71 71.63 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -57.89 -34.87 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.383 0.135 . . . . 0.0 110.916 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.89 81.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.282 0.563 . . . . 0.0 109.893 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -46.4 66.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.211 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.73 -42.64 84.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.998 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 2.2 t80 -58.04 -50.78 72.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.182 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.24 87.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.24 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.08 -39.78 87.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.767 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.32 -38.56 90.53 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 60.7 mm-40 -66.02 -37.94 87.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 4.1 mmtm -61.42 -45.79 92.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.714 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 19' ' ' ALA . 88.7 t -57.93 -48.24 84.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.137 0.494 . . . . 0.0 110.538 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.05 -39.14 89.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.01 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.379 0.609 . . . . 0.0 109.784 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -63.63 -36.95 85.52 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.72 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.473 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -38.69 91.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.154 0.502 . . . . 0.0 110.202 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -67.8 -45.15 75.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.375 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 t -55.21 -45.71 77.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.579 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.58 81.89 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.542 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.69 -47.19 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.2 mt -64.98 -39.62 93.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -61.01 -41.05 95.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -68.12 -34.82 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.071 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.89 -45.81 59.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.02 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD11 ' B' ' 12' ' ' LEU . 59.2 t -62.44 -42.34 95.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -27.97 66.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.445 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -71.51 -48.32 49.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.297 0.57 . . . . 0.0 109.486 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.558 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.38 -43.24 81.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.466 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.49 -36.4 80.38 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.163 0.29 . . . . 0.0 111.1 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -53.68 50.09 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.749 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 12.2 tt0 -57.91 -51.98 67.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.136 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.412 HD21 ' HG2' ' B' ' 15' ' ' ARG . 21.9 t-20 -53.04 -46.98 68.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 17.1 t80 -58.23 -41.04 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.964 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.6 -36.97 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.5 mt -67.24 -54.89 16.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.792 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.39 -27.77 68.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.449 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 2.3 tp-100 -68.29 -37.56 80.77 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 tt0 -72.57 -44.17 62.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.823 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 53.1 t -58.74 -49.99 80.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.921 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.91 86.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.37 -48.55 77.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.115 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 76.6 mt -62.38 -55.67 25.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.689 0.281 . . . . 0.0 111.731 179.539 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 12.5 t -55.91 -55.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.73 -39.39 77.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -45.7 91.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.039 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 61.4 mt -65.91 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.4 mtpt -61.56 -41.39 97.3 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.32 -34.28 75.84 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.81 -43.02 99.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.6 t -62.72 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.378 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.81 -41.31 90.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.764 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.81 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.851 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.4 mt -65.73 -52.37 51.79 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.605 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.87 -41.1 77.39 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.026 0.204 . . . . 0.0 111.246 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.99 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 110.332 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 19.5 ttt180 -72.32 -40.89 67.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.701 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.425 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.0 m120 -61.93 -40.59 96.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.788 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 1.1 t80 -57.56 -53.76 54.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.65 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.92 96.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.906 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.478 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.1 -40.3 93.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.13 -37.92 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.828 0.347 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 62.0 mm-40 -71.99 -39.81 68.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 5.3 mmtp -57.31 -50.79 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.34 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 19' ' ' ALA . 76.0 t -54.73 -51.16 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.06 -33.02 73.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.703 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.96 75.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 83.8 mt -65.76 -39.01 90.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.454 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -46.54 88.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.184 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -69.63 -47.3 63.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.17 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.798 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 1.006 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 73.2 tt0 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.663 0.268 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.67 -50.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.557 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.75 79.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.235 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 1.006 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 79.8 mm-40 -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 109.941 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 9' ' ' VAL . 95.9 mt -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.478 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.93 -40.35 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 110.308 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -67.16 -40.82 86.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.747 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.63 -42.61 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' LEU . 71.8 t -63.6 -42.09 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.41 66.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.589 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -70.29 -51.23 31.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.62 -43.47 89.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.313 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.83 -40.26 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.082 0.239 . . . . 0.0 111.202 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 18' ' ' GLN . . . -66.04 -46.9 76.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.806 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.6 mt-10 -63.45 -46.07 87.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.946 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -55.68 -41.05 73.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.011 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -58.42 -47.76 82.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.291 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 7.3 pt20 -75.23 -25.12 57.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.576 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 39.8 mt -68.7 -48.05 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.32 -33.65 76.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.069 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.93 -46.6 84.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.738 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' B' ' 23' ' ' VAL . 4.2 tp10 -68.61 -46.01 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.045 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.488 HG13 HD11 ' B' ' 26' ' ' LEU . 32.7 t -57.5 -43.45 82.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.19 86.58 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -60.08 -48.53 81.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.6 mt -66.36 -48.23 70.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.613 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 N--CA 1.469 0.5 0 CA-C-O 121.019 0.438 . . . . 0.0 110.74 179.451 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 43.1 t -54.28 -54.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.267 0.355 . . . . 0.0 110.683 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 41.7 tt0 -60.54 -43.26 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.198 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.67 78.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -71.62 -28.35 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.167 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.3 mtpt -65.18 -43.2 92.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -64.09 -35.32 80.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.114 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -64.6 -48.14 76.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.775 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.4 t -57.48 -50.84 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -62.18 -40.19 95.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.269 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.24 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.176 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.614 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 51.6 mt -63.39 -50.62 69.16 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.955 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -56.7 -41.19 76.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.92 83.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 109.742 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -63.8 -42.98 97.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.452 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -62.63 -45.76 91.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.832 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.09 77.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.38 -39.57 91.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.31 -39.05 93.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.497 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 46.5 mm-40 -68.23 -33.88 75.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.553 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.5 OUTLIER -62.23 -44.32 96.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.815 178.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 22' ' ' GLU . 95.5 t -56.44 -52.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.547 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -67.32 -33.3 74.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.14 -44.57 83.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.254 0.55 . . . . 0.0 109.598 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 89.4 mt -66.72 -42.37 86.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.134 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.5 mtt-85 -67.76 -14.28 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.341 0.591 . . . . 0.0 110.851 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -88.97 -38.1 14.71 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.224 -179.001 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 4' ' ' GLN . 43.5 mt-10 . . . . . 0 CA--C 1.513 -0.446 0 CA-C-O 120.856 0.36 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.45 -48.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.04 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.083 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.438 ' HG2' ' HB2' ' A' ' 1' ' ' GLU . 13.1 mm100 -62.12 -50.55 71.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.232 0.539 . . . . 0.0 110.162 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 HG13 ' B' ' 2' ' ' VAL . 78.3 mt -64.37 -34.99 79.43 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.813 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.7 -40.1 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.569 0.224 . . . . 0.0 110.418 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.12 -34.1 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 33.0 tp10 -72.22 -39.56 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.921 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -66.38 -46.05 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.021 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 52.5 tp60 -65.07 -50.89 64.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.706 0.765 . . . . 0.0 109.052 178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.29 -44.28 83.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 8' ' ' ARG . 26.9 mt-10 -64.61 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.279 0.362 . . . . 0.0 111.606 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.76 86.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.761 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 48.1 mt-10 -66.96 -48.65 67.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.567 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -51.87 -43.67 63.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -56.9 -44.4 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.76 -43.63 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.83 -51.22 69.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.48 -33.42 75.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -71.08 -45.11 64.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -50.88 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.696 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.35 76.62 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.081 0.467 . . . . 0.0 110.73 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.6 -50.9 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 94.7 mt -61.38 -46.08 91.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.812 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.176 0.513 . . . . 0.0 110.403 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.639 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.3 pm0 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.748 0.308 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 5' ' ' LEU . 15.4 t -54.95 -54.88 19.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.985 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.566 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 61.1 tp60 -61.33 -30.89 70.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.653 0.263 . . . . 0.0 110.743 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.02 -47.15 69.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.106 0.479 . . . . 0.0 110.653 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.478 ' O ' HG23 ' B' ' 9' ' ' VAL . 92.8 mt -69.23 -26.13 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.636 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.566 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 62.9 mtpt -64.34 -38.73 92.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.3 mmmt -68.98 -35.34 76.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.164 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' A' ' 13' ' ' GLU . 29.8 tpt180 -64.4 -45.61 86.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.627 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 5' ' ' LEU . 66.1 t -58.4 -49.87 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.656 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 10.6 mm-40 -62.8 -42.78 99.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.76 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.082 0.468 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.58 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.7 mt -74.11 -56.28 5.1 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.4 mptp? -53.17 -37.59 62.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.239 0.337 . . . . 0.0 111.717 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.24 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.081 0.467 . . . . 0.0 110.225 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -39.85 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.766 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.2 -41.07 98.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -60.88 -46.23 91.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.37 78.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.05 -41.52 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.305 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.55 -44.72 93.16 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 110.808 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 60.8 mt-30 -66.16 -31.28 72.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -67.75 -44.62 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 73.1 t -59.72 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 19.3 pt20 -65.63 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.27 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.85 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.327 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -65.48 -41.6 93.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -68.89 -22.42 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.306 0.574 . . . . 0.0 110.576 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.43 -40.74 25.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.528 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.71 -179.183 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.55 -51.75 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.201 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.24 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.723 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -65.94 -51.01 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.192 0.52 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.6 -39.74 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.74 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.33 -40.98 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.473 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.37 -29.39 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -72.98 -40.91 64.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.483 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.97 -48.89 72.42 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.719 0.771 . . . . 0.0 109.265 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.83 -44.75 84.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.816 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -59.44 -39.07 82.37 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.481 0.488 . . . . 0.0 110.389 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.79 86.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.32 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.2 mt-10 -65.68 -50.07 66.24 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.422 HD21 ' HG2' ' B' ' 15' ' ' ARG . 8.7 t-20 -51.25 -45.26 61.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.13 -43.0 77.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.609 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.49 -36.79 60.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.232 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mt -64.22 -52.94 56.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.595 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.21 -37.7 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.432 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -43.39 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.189 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.717 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG13 HD11 ' B' ' 26' ' ' LEU . 24.7 t -61.25 -42.31 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.344 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.46 83.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.952 0.406 . . . . 0.0 110.014 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.48 -50.15 75.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.459 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 91.6 mt -60.57 -50.4 73.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.63 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 . . . . . 0 N--CA 1.468 0.456 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 178.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 39.8 tt0 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.831 0.348 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 71.8 t -56.93 -54.13 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.87 -37.33 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.327 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -62.95 -49.17 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.164 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 1' ' ' GLU . 84.9 mt -65.04 -36.17 83.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.8 mtpt -59.4 -45.41 91.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 0.0 110.273 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -31.93 72.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.691 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 18.8 tpt180 -64.58 -45.01 88.83 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.557 HG13 ' HE3' ' B' ' 13' ' ' LYS . 53.7 t -58.72 -50.07 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.408 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.53 -40.24 96.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.15 95.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 0.0 110.459 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 42.0 mt -66.42 -53.06 40.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.557 ' HE3' HG13 ' B' ' 9' ' ' VAL . 3.1 mptp? -56.27 -34.67 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.174 0.296 . . . . 0.0 111.106 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -46.07 80.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.0 109.858 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.7 tpt180 -69.7 -38.24 76.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.11 -39.85 95.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.053 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 50.1 t80 -60.32 -54.73 42.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.236 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.77 97.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.578 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.17 -41.56 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -60.46 -35.46 75.94 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.0 mm-40 -74.67 -39.69 61.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.87 -47.4 85.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.602 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 19' ' ' ALA . 68.1 t -57.22 -48.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.49 -36.31 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.02 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 110.373 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 23' ' ' VAL . 94.5 mt -62.27 -45.03 95.09 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.072 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.603 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 80.5 mtt180 -64.51 -27.67 69.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 111.272 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -78.74 -44.23 23.88 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.375 0.607 . . . . 0.0 110.017 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.024 -178.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.467 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 38.4 tt0 . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.361 0.124 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.5 t -51.57 -51.14 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.729 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.35 -42.25 81.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 110.778 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.6 mm100 -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.527 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD11 HG13 ' B' ' 2' ' ' VAL . 62.5 mt -65.73 -36.92 84.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.36 -39.46 93.21 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 92.3 mttt -67.34 -36.42 81.38 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.497 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -68.52 -40.99 80.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.742 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.34 -45.3 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -26.65 68.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.509 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -69.31 -51.47 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.626 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.01 -39.15 93.47 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.072 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -61.29 -42.97 99.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.301 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.27 84.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.871 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.9 mt-10 -62.37 -49.68 74.59 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.725 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.58 -48.55 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.623 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.59 -42.31 78.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.018 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.12 -40.95 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.339 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 15.5 mt -62.36 -51.39 67.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.83 -41.47 91.39 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -68.4 -39.16 81.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tt0 -65.78 -40.9 92.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.812 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.856 HG13 HD11 ' B' ' 26' ' ' LEU . 40.7 t -59.68 -46.82 92.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.49 96.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -62.09 -47.4 84.82 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.484 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 40.9 mt -59.1 -46.21 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 0.0 110.292 178.41 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 38.0 tt0 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.529 0.204 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 5' ' ' LEU . 55.1 t -58.78 -53.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.183 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -44.19 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 109.868 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -59.37 -46.35 88.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.437 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.5 mt -67.82 -34.78 77.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.644 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -61.83 -41.83 98.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -69.42 -32.32 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.9 t -59.39 -48.18 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.998 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.24 -36.01 82.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.435 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.59 85.7 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.178 0.513 . . . . 0.0 109.707 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 12' ' ' ALA . 34.9 mt -64.91 -46.78 80.26 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.001 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.65 -40.69 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.123 0.264 . . . . 0.0 110.926 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.9 89.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.053 0.454 . . . . 0.0 110.548 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -70.17 -39.91 75.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.1 -44.98 95.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.193 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.0 -46.75 87.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.95 94.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.767 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.06 -43.34 95.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' A' ' 19' ' ' LEU . 48.9 mttm -59.31 -40.38 86.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.38 -42.32 88.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -60.05 -43.17 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.194 178.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.5 t -58.88 -52.33 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.808 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.25 -38.49 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.219 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.41 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 23' ' ' VAL . 74.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.483 0.659 . . . . 0.0 110.198 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -65.51 -31.42 72.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.087 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -80.43 -48.36 12.99 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.247 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.819 -179.097 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.706 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 75.0 tt0 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.64 -50.74 72.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.329 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.905 0.384 . . . . 0.0 111.209 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.706 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.9 mm100 -63.83 -42.19 97.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.432 0.634 . . . . 0.0 110.178 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' VAL . 79.8 mt -71.32 -35.23 71.15 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.983 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.21 -40.93 94.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.042 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -74.28 -19.62 60.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 0.0 109.674 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -80.69 -45.87 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -62.92 -45.25 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.9 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -27.3 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.777 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.42 -48.32 56.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -68.5 -44.83 73.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.738 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.52 -39.05 75.69 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.497 0.498 . . . . 0.0 110.868 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.11 66.83 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.251 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.754 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 61.6 mt-10 -64.11 -53.04 55.79 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.053 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -48.56 -48.65 38.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.477 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -41.72 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.86 -39.38 56.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 38.2 mt -57.51 -48.4 79.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.355 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.64 -42.5 98.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -38.84 92.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' B' ' 23' ' ' VAL . 45.8 tp10 -70.42 -46.43 63.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.434 HG13 HD11 ' B' ' 26' ' ' LEU . 47.6 t -59.32 -48.11 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.76 80.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -64.02 -50.48 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.658 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.0 mt -61.8 -45.29 94.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.408 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 121.061 0.458 . . . . 0.0 110.577 179.237 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 5' ' ' LEU . 5.4 tp10 . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.1 t -59.53 -52.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.512 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.24 -35.78 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.373 0.606 . . . . 0.0 110.591 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -69.5 -48.14 61.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.536 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.3 mt -65.89 -34.7 78.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.532 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -61.81 -42.47 99.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.58 -32.53 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.828 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.383 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 3.5 mm100 -57.9 -43.9 86.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.78 -48.49 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.609 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 48.0 mt -59.72 -52.11 66.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.64 -36.98 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.003 0.189 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -70.14 -46.97 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.417 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.8 m120 -56.81 -40.55 76.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.46 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -60.42 -53.43 57.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.954 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.72 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.87 -42.64 94.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.511 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -57.22 -41.68 79.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.29 -36.04 71.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.232 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -66.02 -43.99 86.03 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 22' ' ' GLU . 78.7 t -57.35 -52.76 52.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.0 -33.49 76.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.46 -44.29 62.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.145 0.498 . . . . 0.0 110.569 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 95.6 mt -65.12 -43.71 91.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.782 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -26.4 67.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.179 0.514 . . . . 0.0 111.019 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -81.41 -39.79 24.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 tttm . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.001 -178.539 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp10 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.541 HG22 HG23 ' B' ' 2' ' ' VAL . 19.2 t -61.81 -44.91 99.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.7 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.46 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.2 mm100 -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 110.56 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 84.6 mt -63.43 -38.17 90.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -60.69 -44.11 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.43 -35.85 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.31 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -72.04 -43.33 65.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.41 -46.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.49 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.51 -52.16 14.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.338 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.9 -41.79 95.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.211 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.49 -46.45 88.77 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.14 0.275 . . . . 0.0 110.862 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.47 87.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.73 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.7 tt0 -58.34 -52.32 66.11 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.018 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 18.2 t-20 -54.18 -48.46 70.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -55.07 -43.98 74.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.508 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.66 -32.89 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 43.7 mt -67.28 -38.78 85.61 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 35.0 mt-10 -62.11 -48.52 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.353 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.13 -38.41 90.53 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.32 -44.38 96.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.759 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD11 ' B' ' 26' ' ' LEU . 26.8 t -65.87 -47.22 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.221 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.88 83.54 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.835 0.35 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -59.71 -54.55 45.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 90.7 mt -59.42 -44.34 92.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.319 0.58 . . . . 0.0 110.271 178.292 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.946 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 2.7 mp0 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.452 0.644 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 2' ' ' VAL . 3.4 t -60.32 -47.68 91.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.444 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.644 HE21 ' HD3' ' B' ' 7' ' ' LYS . 47.7 tp60 -59.85 -41.82 92.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.379 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.946 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -62.19 -43.85 97.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.987 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.2 mt -67.36 -33.06 74.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.471 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 51.2 mtpt -62.85 -40.46 97.52 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.644 ' HD3' HE21 ' B' ' 3' ' ' GLN . 11.6 mmmm -68.61 -34.29 75.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -63.8 -45.38 89.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.529 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.3 t -59.01 -49.04 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.259 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.4 -44.99 92.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.347 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.9 92.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.462 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 12' ' ' ALA . 53.2 mt -64.52 -52.99 54.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.069 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.2 mptp? -55.96 -37.27 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.164 0.29 . . . . 0.0 111.066 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.45 99.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.017 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -73.19 -45.04 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.25 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.637 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.7 m120 -58.7 -40.78 84.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.87 -49.68 73.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.537 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.08 92.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.572 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.61 -39.98 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -63.93 -44.82 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.733 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 mp0 -67.57 -23.78 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 109.615 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.1 tmtt? -76.27 -47.85 22.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 19' ' ' ALA . 71.1 t -58.08 -47.22 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.599 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 2.6 pt20 -65.85 -39.77 91.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -64.04 -44.54 92.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.1 mt -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -65.89 -40.65 91.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.803 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 1.8 m-70 -77.06 -60.84 2.2 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 122.315 1.055 . . . . 0.0 109.944 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 tttp . . . . . 0 N--CA 1.439 -0.995 0 CA-C-N 112.317 -2.22 . . . . 0.0 112.705 -176.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.477 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.71 -48.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.36 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.06 -39.39 74.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.388 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.477 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.0 mm100 -63.05 -46.85 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.516 0.674 . . . . 0.0 110.133 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 89.5 mt -65.36 -35.2 80.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.319 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -60.13 -42.11 94.08 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 91.5 mttt -64.53 -40.37 95.49 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.399 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -65.78 -45.73 81.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG21 HD22 ' B' ' 5' ' ' LEU . 56.5 t -62.49 -47.65 91.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.764 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 tp-100 -69.06 -45.46 70.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.681 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.5 -45.18 76.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' B' ' 12' ' ' LEU . 51.3 mt-10 -62.74 -36.41 82.94 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.451 0.47 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.73 77.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt-10 -60.77 -54.71 41.86 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.56 -48.73 27.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.458 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.53 -39.63 84.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.836 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -77.64 -31.37 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.536 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.2 mt -63.81 -46.43 85.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.75 -37.88 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -65.17 -45.28 85.55 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.048 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -64.3 -42.86 96.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.032 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.543 HG13 HD11 ' B' ' 26' ' ' LEU . 24.4 t -58.93 -47.68 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.081 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.16 83.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.487 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -62.4 -54.92 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.483 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 96.5 mt -59.67 -41.15 89.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.464 0.65 . . . . 0.0 109.784 178.26 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 13.2 tp10 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.047 0.451 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 48.5 t -65.26 -49.47 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.131 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.55 -40.66 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 110.164 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.801 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.56 -39.54 80.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.124 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 9' ' ' VAL . 65.8 mt -78.39 -35.32 47.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.7 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.2 mtpt -59.97 -44.3 94.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.37 -33.22 74.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -64.04 -45.57 88.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 5' ' ' LEU . 72.3 t -59.07 -47.62 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.54 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -62.67 -42.16 99.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.254 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 12' ' ' ALA . 42.6 mt -67.87 -52.68 33.76 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.624 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -54.06 -38.31 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.249 0.343 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -46.66 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.149 0.5 . . . . 0.0 109.674 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.26 -43.03 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.236 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.7 m120 -61.01 -42.86 99.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.467 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -45.67 90.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -64.38 -34.87 79.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.08 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.502 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -78.34 -37.45 44.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -60.75 -47.17 87.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.552 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.4 pt20 -65.82 -26.65 67.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.843 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.8 mmmm -67.7 -48.16 67.34 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 19' ' ' ALA . 62.5 t -57.92 -48.61 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.158 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.502 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 -47.97 65.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' VAL . 93.3 mt -62.82 -43.39 98.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.611 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 6.1 ttt85 -69.0 -19.62 64.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.071 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -85.89 -46.47 10.56 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 tttp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.313 -179.803 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.202 0.525 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -75.57 -36.19 33.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.17 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.701 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.81 -45.85 91.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.279 0.561 . . . . 0.0 110.659 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 2' ' ' VAL . 49.8 mt -67.68 -33.24 74.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.31 -41.03 92.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.58 -38.31 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.095 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -67.89 -44.05 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.405 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 5' ' ' LEU . 59.2 t -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.74 -24.97 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.935 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -69.87 -51.97 28.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -66.48 -43.84 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.643 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' OE2' HD21 ' B' ' 12' ' ' LEU . 29.4 mm-40 -56.49 -43.46 79.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.474 0.484 . . . . 0.0 111.277 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -49.54 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.716 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 49.4 mt-10 -66.86 -45.44 78.14 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.485 0.491 . . . . 0.0 109.959 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.49 -44.61 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.213 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.55 -34.47 70.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.135 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.8 mt -67.02 -50.08 63.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.42 -41.57 89.83 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.075 0.464 . . . . 0.0 109.887 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.34 -41.4 96.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.56 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -72.15 -41.99 66.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 26' ' ' LEU . 36.8 t -59.53 -49.66 82.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.637 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.61 72.58 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.457 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.29 -51.03 71.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.648 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.618 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 94.8 mt -62.55 -43.7 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.442 0.639 . . . . 0.0 109.832 179.05 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 6.8 pt-20 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.667 0.27 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.456 HG13 HD11 ' A' ' 5' ' ' LEU . 14.9 t -58.28 -51.9 65.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.057 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.87 -36.52 74.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.523 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.01 -45.95 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.487 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.1 mt -67.69 -33.21 74.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.147 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.76 -40.17 94.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -70.32 -34.65 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -63.28 -44.61 94.61 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.318 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.675 HG13 ' HE3' ' B' ' 13' ' ' LYS . 76.4 t -58.04 -53.96 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.677 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.33 -39.05 81.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.27 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 109.89 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 12' ' ' ALA . 35.7 mt -66.04 -49.36 67.97 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.675 ' HE3' HG13 ' B' ' 9' ' ' VAL . 19.8 mmtp -59.29 -41.73 89.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 111.096 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.79 73.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.121 0.486 . . . . 0.0 110.318 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -80.45 -39.8 27.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.793 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.05 -41.42 99.48 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.272 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -60.63 -47.49 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.317 0.579 . . . . 0.0 109.69 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.65 89.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.871 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.15 -42.07 98.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.291 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.94 -41.21 95.82 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -69.21 -31.76 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.692 178.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.562 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mtpp -67.25 -46.3 74.14 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 19' ' ' ALA . 90.1 t -55.92 -49.03 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.466 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 16.7 pt20 -68.77 -30.99 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.641 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.56 -44.19 29.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.889 0.376 . . . . 0.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.1 mt -62.3 -43.29 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.195 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.618 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 35.7 mtt-85 -64.95 -29.62 70.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -76.74 -43.4 37.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.0 109.799 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.354 -179.594 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 2.1 tp10 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.18 -53.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.216 0.322 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.71 75.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 111.268 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.681 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 8.5 mm100 -57.09 -47.46 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.548 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.55 -41.54 96.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.869 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -59.44 -40.96 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.49 -32.07 70.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.258 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -73.62 -41.61 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.077 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.688 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.6 -26.76 67.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.983 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -70.11 -49.78 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.375 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -68.57 -40.76 80.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.577 ' OE2' HD21 ' B' ' 12' ' ' LEU . 33.3 mm-40 -57.32 -41.82 80.65 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.407 0.442 . . . . 0.0 110.649 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -52.02 65.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.35 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.748 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 66.2 mt-10 -61.27 -47.6 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.79 -43.9 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.531 0.52 . . . . 0.0 110.839 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.19 -43.84 92.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.129 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.39 -36.58 76.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.211 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.0 mt -66.1 -54.3 27.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.391 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -58.77 -40.24 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.69 -41.47 99.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.214 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -70.87 -45.6 64.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.349 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.5 t -57.81 -48.02 84.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.615 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.38 -45.7 76.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.977 0.418 . . . . 0.0 110.433 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -62.13 -53.15 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.764 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 89.5 mt -60.07 -47.21 86.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.964 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.766 179.432 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.689 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 32.9 tp10 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 64.8 t -54.61 -57.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.214 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 40.9 tt0 -57.61 -41.47 81.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.689 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.68 -48.79 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.716 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.521 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.4 mt -65.74 -32.29 73.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 60.8 mtpt -64.26 -39.94 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -66.8 -36.65 82.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.212 178.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -63.69 -46.04 87.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.598 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 5' ' ' LEU . 71.4 t -58.15 -49.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 8.4 mm-40 -65.93 -36.73 84.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.316 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.78 90.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.193 0.521 . . . . 0.0 109.771 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.577 HD21 ' OE2' ' A' ' 13' ' ' GLU . 33.3 mt -65.09 -51.13 63.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 5.5 mptp? -55.5 -38.05 68.65 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.493 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.53 95.13 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.263 0.554 . . . . 0.0 110.238 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -73.84 -45.79 49.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.7 m120 -59.13 -46.23 88.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.93 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 2.2 t80 -58.54 -41.64 85.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.63 -46.42 31.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.345 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.78 -39.72 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.642 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.71 -40.64 88.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.363 . . . . 0.0 110.477 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.412 HE21 ' HD1' ' B' ' 17' ' ' TYR . 69.4 mt-30 -70.94 -33.61 70.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 7.4 mmtt -64.18 -48.31 76.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.771 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 19' ' ' ALA . 63.0 t -55.7 -49.22 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 110.582 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -65.49 -37.36 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.01 68.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.436 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.4 mt -63.4 -42.53 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.824 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 27.3 mtt-85 -67.28 -25.83 66.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.985 0.421 . . . . 0.0 110.984 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -81.21 -42.12 21.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.204 0.526 . . . . 0.0 109.858 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.301 -179.336 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.893 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 33.4 tt0 . . . . . 0 CA--C 1.521 -0.14 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.79 -47.35 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.927 0.394 . . . . 0.0 111.514 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.893 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 85.7 mm-40 -65.72 -48.25 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.578 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.64 -38.53 85.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.042 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -60.24 -42.85 96.13 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.09 -33.22 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.8 -44.15 70.63 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.89 -45.98 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.467 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.78 68.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.976 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -67.82 -48.65 65.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -69.52 -43.94 72.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.588 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -55.05 -43.61 73.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.55 0.531 . . . . 0.0 111.314 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -58.02 -53.24 60.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.721 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.808 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 58.8 mt-10 -63.95 -49.75 71.35 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.184 179.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -51.4 -46.48 62.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 42.9 t80 -55.88 -44.56 78.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 83.2 mt-30 -70.2 -42.78 71.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 26.9 mt -58.55 -52.55 65.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.326 -179.192 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -60.5 -41.74 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 85.7 mt-30 -64.83 -42.89 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.308 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 8.5 tp10 -64.34 -44.93 89.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.799 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -57.66 -46.81 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.181 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.67 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.223 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -55.72 31.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.377 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' B' ' 26' ' ' LEU . 78.5 mt -58.42 -48.43 80.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.305 0.574 . . . . 0.0 111.469 179.832 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.9 pt-20 . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.469 0.176 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.91 -54.08 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -60.98 -36.28 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.708 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.427 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.84 -47.13 72.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.215 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.523 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.6 mt -69.25 -37.05 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.079 -178.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.36 -38.57 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.71 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -72.9 -31.94 65.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -65.34 -42.2 93.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' B' ' 13' ' ' LYS . 70.7 t -58.94 -53.67 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.732 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -58.65 -41.75 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.0 96.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 0.0 110.38 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.499 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -67.08 -51.93 48.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.379 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.576 ' HE3' HG13 ' B' ' 9' ' ' VAL . 16.7 mmtp -57.12 -39.33 74.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 110.594 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.96 79.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -76.26 -44.48 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.713 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.31 -47.35 83.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.13 -46.08 89.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.22 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.281 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.47 -39.79 94.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.816 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.41 -37.45 80.88 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.69 0.281 . . . . 0.0 111.029 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -28.63 57.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.6 mmtm -68.87 -48.64 62.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 177.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 19' ' ' ALA . 83.1 t -55.03 -48.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.736 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.12 -40.78 96.94 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.252 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.723 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -65.05 -46.95 79.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 26' ' ' LEU . 87.2 mt -63.32 -29.75 71.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.719 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -47.18 78.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.785 178.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . 0.723 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 4.2 m-70 -68.59 -53.88 20.04 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-O 121.772 0.796 . . . . 0.0 109.632 178.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 tptp . . . . . 0 N--CA 1.44 -0.956 0 CA-C-N 112.763 -2.017 . . . . 0.0 111.374 -176.854 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.235 0.295 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.47 -47.14 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.603 0.24 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.24 77.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 111.144 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -61.21 -49.82 75.61 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.155 179.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 89.6 mt -63.63 -37.77 88.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.714 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.411 178.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.12 -31.47 70.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.375 0.607 . . . . 0.0 110.154 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -74.45 -44.94 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.217 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.37 -44.04 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.57 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.836 178.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -65.96 -51.88 54.61 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.072 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.61 -43.6 84.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.371 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -39.18 76.93 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.308 0.38 . . . . 0.0 111.702 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.24 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.362 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.736 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 52.8 mt-10 -62.55 -52.15 64.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.34 -46.92 47.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.235 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -56.16 -40.48 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.121 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -83.28 -28.75 28.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.804 -179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.7 mt -66.57 -52.66 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.47 -37.44 83.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.254 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -65.65 -44.05 87.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.892 179.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.28 -44.5 83.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 HD11 ' B' ' 26' ' ' LEU . 44.3 t -57.81 -46.1 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.234 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.71 82.67 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.03 -50.95 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 79.5 mt -64.83 -46.06 83.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.219 -179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.206 0.527 . . . . 0.0 110.114 178.923 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.1 pm0 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.9 t -52.16 -56.69 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.123 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.58 -28.84 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.049 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.67 -45.56 71.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.13 0.49 . . . . 0.0 110.532 179.267 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -72.35 -34.98 68.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.727 -179.452 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 62.3 mtpt -58.25 -46.16 86.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.104 179.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.94 -32.0 72.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.011 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.06 -42.29 94.35 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.582 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 56.1 t -60.5 -51.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.595 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.54 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.583 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.27 81.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 43.0 mt -63.27 -53.04 59.12 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.716 179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 2.9 mptp? -56.33 -36.83 69.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.317 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.66 88.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.176 0.512 . . . . 0.0 110.279 179.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -71.93 -42.65 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -59.93 -47.24 86.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.369 179.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.34 -45.92 76.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.453 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.92 66.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.68 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.79 -36.48 83.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.952 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.45 -38.94 82.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.1 mmmt -62.95 -51.65 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.498 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.0 t -54.21 -49.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.35 -36.44 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.97 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.478 . . . . 0.0 110.624 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 85.4 mt -66.29 -42.71 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.712 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 26' ' ' LEU . 37.8 mtt180 -66.07 -21.76 66.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.308 0.575 . . . . 0.0 110.841 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -78.82 -32.84 46.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.317 0.579 . . . . 0.0 110.169 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.62 -179.23 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.487 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.4 tp10 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -53.13 -53.38 22.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.77 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 111.05 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.487 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 99.4 mm-40 -58.65 -48.77 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.682 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 97.2 mt -61.68 -42.85 99.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.22 -41.2 83.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.006 0.431 . . . . 0.0 110.516 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -36.29 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.123 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.64 -39.86 80.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.699 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.0 t -62.4 -47.24 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.874 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -69.82 -52.0 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.558 0.694 . . . . 0.0 109.323 179.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -63.91 -41.8 97.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.41 -40.86 88.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.22 83.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.287 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.704 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 14.1 mt-10 -63.11 -51.12 67.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.25 178.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -51.48 -46.36 63.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.936 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.59 -41.52 81.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.993 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -75.53 -36.68 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 35.5 mt -60.72 -48.54 81.32 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.71 -43.64 88.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.381 178.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 23.5 tp10 -64.56 -46.74 81.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.745 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 26' ' ' LEU . 40.6 t -60.44 -48.17 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.665 179.202 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.34 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.779 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.14 -47.0 84.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.302 179.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 81.3 mt -63.09 -47.14 84.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.513 0.673 . . . . 0.0 110.43 179.107 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.59 ' HG2' ' H ' ' B' ' 4' ' ' ALA . 11.3 pm0 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.87 0.366 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 41.8 t -57.67 -48.88 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.185 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 47.2 tt0 -59.01 -39.84 83.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.888 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.59 ' H ' ' HG2' ' B' ' 1' ' ' GLU . . . -56.84 -49.06 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.995 179.522 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 96.0 mt -69.15 -33.21 73.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.652 -179.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.9 mtpt -64.19 -40.26 95.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.949 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.6 -35.93 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -64.02 -45.89 86.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.526 178.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.3 t -60.57 -47.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.108 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.24 -40.16 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.368 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.38 75.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 0.0 110.1 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 53.7 mt -62.55 -53.16 58.76 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -56.09 -36.82 68.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.954 -0.112 . . . . 0.0 110.766 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.43 91.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -67.07 -44.58 79.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 109.264 178.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.476 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' HD1' ' NE2' ' B' ' 21' ' ' GLN . 2.6 t80 -61.12 -45.91 92.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.568 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -72.33 -41.27 66.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.574 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -57.92 -49.3 77.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.53 0.205 . . . . 0.0 111.493 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.43 ' NE2' ' HD1' ' B' ' 17' ' ' TYR . 12.7 pt20 -65.46 -29.23 69.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.486 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -67.39 -43.44 81.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.815 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 19' ' ' ALA . 89.5 t -59.33 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.068 178.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -61.95 -37.15 83.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.68 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.2 mt -65.33 -36.98 85.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.589 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HD2' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.27 -37.67 87.91 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.459 0.647 . . . . 0.0 109.475 178.308 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -70.36 -44.89 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttm . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.029 -179.137 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.891 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 44.7 tt0 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 120.451 0.167 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.47 -43.8 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.528 ' H ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.89 -43.26 90.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 94.7 mm-40 -59.93 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.495 0.664 . . . . 0.0 110.001 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 93.9 mt -63.92 -38.4 90.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.703 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -58.85 -40.62 84.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.222 178.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 93.3 mttt -69.05 -36.34 77.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.94 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.46 -40.82 70.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.475 179.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' LEU . 69.5 t -65.41 -46.52 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -24.61 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.485 178.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -70.93 -52.66 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 109.45 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.18 -45.1 77.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.789 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG2' HD21 ' B' ' 12' ' ' LEU . 19.3 mt-10 -57.54 -40.27 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -52.25 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.696 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 3.0 tt0 -57.15 -50.06 73.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.887 178.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.43 HD21 ' HG2' ' B' ' 15' ' ' ARG . 24.0 t-20 -51.2 -50.22 59.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.417 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -36.58 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.448 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.71 -34.04 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.792 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.1 mt -64.54 -53.08 53.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.15 -27.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.63 0.252 . . . . 0.0 110.545 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.36 -41.04 70.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.8 tp10 -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.876 HG13 HD11 ' B' ' 26' ' ' LEU . 53.4 t -59.11 -49.84 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.165 178.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.79 95.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.854 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.76 -51.57 69.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.584 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 73.6 mt -60.0 -47.45 85.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.39 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 110.772 179.474 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.812 0.339 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.2 t -55.0 -52.73 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.5 -32.94 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.592 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.453 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -63.7 -47.39 81.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.017 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 82.8 mt -70.13 -36.64 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.371 -179.414 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 50.2 mtpt -59.91 -43.04 95.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HE2' ' B' ' 7' ' ' LYS . 0.2 OUTLIER -67.2 -29.53 69.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.963 178.372 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 20.9 tpt180 -68.15 -47.43 68.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.15 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.86 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.36 -42.43 86.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.12 81.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.456 179.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.7 mt -62.2 -54.59 38.71 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.314 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.09 -36.91 68.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.508 0.194 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.12 93.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.272 178.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.43 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.1 tpt180 -73.15 -40.08 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.663 178.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -59.95 -48.96 79.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.153 179.367 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -58.94 -43.39 91.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.048 179.289 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -47.58 72.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.503 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.38 -33.93 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.157 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 16' ' ' ASN . 98.5 mttt -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 73.5 mm-40 -74.41 -33.25 62.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.9 mmmm -62.07 -45.42 93.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.694 177.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 19' ' ' ALA . 59.5 t -55.75 -50.91 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.171 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.98 -41.06 97.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.49 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.73 89.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.907 -179.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.876 HD11 HG13 ' A' ' 23' ' ' VAL . 85.4 mt -67.35 -40.72 85.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.45 ' HD2' HG12 ' B' ' 23' ' ' VAL . 28.9 mtt-85 -67.37 -25.68 66.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.239 0.543 . . . . 0.0 109.865 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -75.84 -43.09 47.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.989 178.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.969 179.352 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.65 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.2 tp10 . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.684 0.278 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.59 -49.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.064 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.11 80.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.311 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.65 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.2 mm100 -65.82 -44.09 86.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.395 0.617 . . . . 0.0 109.877 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 73.0 mt -66.87 -36.14 81.65 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.235 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.29 -41.7 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.566 178.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -71.34 -22.16 61.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.092 0.473 . . . . 0.0 109.857 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -80.24 -42.72 22.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD11 ' B' ' 12' ' ' LEU . 54.7 t -62.89 -45.1 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.63 69.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.611 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 3.5 tp-100 -69.79 -51.01 37.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.056 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -62.53 -41.75 99.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.218 179.198 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.91 -37.41 82.15 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.499 0.5 . . . . 0.0 111.269 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.1 85.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.279 0.562 . . . . 0.0 110.233 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 19.5 tp10 -68.35 -48.78 63.93 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.423 HD21 ' HG2' ' B' ' 15' ' ' ARG . 19.6 t-20 -53.39 -45.78 69.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.396 178.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.2 -43.58 78.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.491 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -71.07 -30.96 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.941 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 41.7 mt -68.62 -51.03 46.68 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.56 -37.11 80.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.237 179.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.47 -43.6 89.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.523 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.9 tp10 -66.67 -47.64 71.86 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.949 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 HD11 ' B' ' 26' ' ' LEU . 43.0 t -57.27 -46.8 85.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.681 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.18 85.05 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.229 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.26 -53.17 48.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.76 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 64.2 mt -56.86 -46.75 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.353 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.371 178.828 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.836 0.351 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 51.2 t -56.31 -54.19 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.219 179.33 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.11 -32.6 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.476 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -65.98 -44.23 85.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.6 mt -74.61 -34.59 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.717 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.58 0.229 . . . . 0.0 110.516 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.82 -31.69 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 22.8 tpt180 -65.41 -44.98 85.73 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 5' ' ' LEU . 86.6 t -61.06 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.179 178.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -62.25 -36.79 83.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.67 80.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 110.103 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 12' ' ' ALA . 25.1 mt -62.33 -48.69 78.73 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.338 179.22 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.24 -38.92 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.0 0.188 . . . . 0.0 111.397 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.53 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.26 0.552 . . . . 0.0 109.74 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.423 ' HG2' HD21 ' A' ' 16' ' ' ASN . 9.5 tpt180 -67.49 -39.51 85.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.489 179.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.55 -42.19 95.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.529 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.57 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.994 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.573 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -69.74 -39.99 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -61.65 -47.17 86.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.315 . . . . 0.0 110.872 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 1.5 pt20 -68.39 -27.7 66.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 14.2 mttp -65.5 -46.77 78.39 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.009 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.4 t -54.42 -50.51 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.158 178.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.08 -41.99 98.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.262 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.54 71.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.461 HD11 HG13 ' A' ' 23' ' ' VAL . 88.9 mt -62.08 -40.88 97.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 12.0 ttt180 -65.89 -38.58 89.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.74 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -72.66 -45.01 61.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.683 -178.613 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 1.088 ' HB3' ' HG3' ' A' ' 4' ' ' GLN . 14.4 tp10 -84.48 154.19 22.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.555 0.217 . . . . 0.0 110.612 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 t -57.15 -49.11 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.43 76.78 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 1.088 ' HG3' ' HB3' ' A' ' 1' ' ' GLU . 37.9 mt-30 -63.75 -46.91 83.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.118 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD11 HG13 ' B' ' 2' ' ' VAL . 89.3 mt -64.25 -37.83 88.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.615 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -64.29 -40.96 97.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.848 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -72.23 -23.48 61.24 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 109.714 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.13 -42.5 26.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.2 t -62.79 -43.15 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.18 68.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.833 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -71.73 -50.62 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.13 -44.36 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.744 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -58.55 -43.38 89.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.545 0.528 . . . . 0.0 111.093 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.46 -47.36 86.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.689 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.75 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 98.4 mt-10 -66.01 -50.13 65.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.76 -48.03 50.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.934 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.77 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 51.1 t80 -55.8 -43.45 76.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.773 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.88 -41.65 67.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.918 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 19.7 mt -57.41 -47.29 82.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.214 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.19 -34.95 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.77 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 91.3 mm-40 -66.87 -46.13 75.94 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.272 0.558 . . . . 0.0 109.662 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.35 -44.19 79.65 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.43 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG23 HG22 ' B' ' 23' ' ' VAL . 33.2 t -60.58 -47.46 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.32 87.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.054 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.61 -51.26 58.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' HD13 ' B' ' 26' ' ' LEU . 86.1 mt -58.83 -39.42 81.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.631 ' OE1' ' HA3' ' A' ' 31' ' ' GLY . 38.5 mm-40 -72.59 -40.4 66.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 0.0 110.42 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -62.5 -32.06 72.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -90.62 -28.45 18.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.528 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.91 -73.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.048 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.631 ' HA3' ' OE1' ' A' ' 27' ' ' GLU . . . -39.03 109.21 0.1 Allowed Glycine 0 CA--C 1.526 0.771 0 O-C-N 124.289 0.993 . . . . 0.0 114.481 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.152 0 O-C-N 122.114 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 6.9 tp10 -90.8 127.56 36.39 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' LEU . 42.5 t -57.26 -53.89 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.632 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.18 -38.61 73.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.468 . . . . 0.0 110.431 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -65.1 -49.14 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.229 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 97.1 mt -63.89 -34.38 77.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -60.33 -44.64 95.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -67.75 -30.45 69.92 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -65.73 -45.18 83.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 74.2 t -60.07 -47.89 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.155 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 97.8 mm-40 -63.25 -40.84 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.373 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.43 92.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 109.747 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.1 mt -63.53 -51.86 63.65 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.282 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -56.58 -37.77 71.06 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.286 0.366 . . . . 0.0 111.052 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.83 97.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.841 0.353 . . . . 0.0 110.336 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -74.44 -37.61 63.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.951 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.18 -45.18 89.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.507 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 0.3 OUTLIER -59.16 -44.58 92.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.268 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.8 71.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.556 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.49 -43.72 96.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.486 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.68 -46.25 81.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -62.31 -38.84 90.95 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.836 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.2 mmmm -62.49 -48.43 79.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' B' ' 19' ' ' ALA . 42.6 t -58.36 -48.31 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.673 0.273 . . . . 0.0 111.314 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.82 -30.6 68.15 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.999 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.77 75.95 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 26' ' ' LEU . 96.8 mt -69.75 -32.99 71.82 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.293 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -27.52 66.25 Favored 'General case' 0 C--O 1.227 -0.088 0 CA-C-O 121.703 0.763 . . . . 0.0 109.165 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -80.37 -42.5 22.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.771 0.795 . . . . 0.0 108.968 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -68.9 -43.69 74.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.244 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -149.41 46.63 0.97 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.13 40.32 2.47 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.163 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 41.3 tp10 -91.16 154.1 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.622 0.248 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.28 -53.25 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.58 -38.15 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.578 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.3 mm100 -63.99 -48.2 77.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.158 0.504 . . . . 0.0 110.325 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.4 mt -65.06 -36.46 84.42 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.531 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.76 -42.12 92.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.23 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -67.05 -33.82 76.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.36 0.6 . . . . 0.0 109.888 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.89 -42.67 60.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.693 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.65 -44.39 98.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.53 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.541 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -66.04 -53.61 36.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.645 0.736 . . . . 0.0 109.113 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -64.85 -43.89 91.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.722 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.39 -47.47 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.18 0.3 . . . . 0.0 111.445 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.46 94.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.802 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 93.0 mt-10 -65.47 -49.76 67.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.103 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -52.35 -45.55 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.29 -40.77 82.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.799 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -73.42 -39.69 64.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.303 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 13.4 mt -62.75 -48.57 78.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.71 -37.18 85.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.702 0.287 . . . . 0.0 110.253 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.85 -45.15 93.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.99 -45.12 78.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.371 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 HD11 ' B' ' 26' ' ' LEU . 36.4 t -56.61 -44.38 80.87 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.081 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.283 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.65 95.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -61.12 -50.55 72.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.758 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 73.2 mt -62.51 -47.11 85.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.633 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HG2' HD13 ' B' ' 26' ' ' LEU . 6.6 mm-40 -63.02 -40.12 96.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.376 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -65.36 -37.8 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.824 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -68.74 -35.38 77.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.09 -47.38 58.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.956 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.77 -116.92 2.62 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.191 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 122.691 -0.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.99 141.79 29.25 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.553 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 54.8 t -55.87 -50.28 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.9 OUTLIER -62.09 -37.36 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.837 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.39 98.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.71 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 9' ' ' VAL . 85.3 mt -69.95 -31.95 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.23 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.3 mtpt -61.46 -39.24 90.15 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.7 -35.06 79.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.62 -46.15 83.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.532 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 91.9 t -57.45 -50.37 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.643 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -60.0 -40.94 90.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.36 77.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.0 0.428 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.2 mt -63.18 -52.57 61.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.248 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.3 mptp? -56.95 -36.37 70.18 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.054 0.221 . . . . 0.0 110.576 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.07 99.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.231 0.538 . . . . 0.0 109.73 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.8 -46.25 66.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.891 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.417 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.9 m120 -57.48 -45.19 85.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.833 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -60.22 -44.06 95.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.65 -42.89 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.385 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.468 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.21 -39.07 91.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -60.9 -36.31 78.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.182 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -69.44 -41.66 76.0 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.038 -0.726 . . . . 0.0 109.038 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.637 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 26.8 mmmt -57.84 -49.68 75.84 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.857 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.0 t -52.93 -54.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.228 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.95 -37.15 86.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.252 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.52 -45.39 72.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.722 0.296 . . . . 0.0 111.038 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 83.5 mt -67.11 -37.46 83.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.555 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HG3' HD11 ' A' ' 26' ' ' LEU . 23.7 mtp85 -66.37 -32.02 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.296 0.569 . . . . 0.0 109.556 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -75.65 -45.4 37.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HB3' ' HA ' ' B' ' 26' ' ' LEU . 84.1 tttt -57.92 -44.52 86.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 58.4 m -137.04 -66.82 0.51 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.486 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.58 -94.17 1.78 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.359 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.547 0 O-C-N 122.747 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 -74.56 155.88 37.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.34 -56.38 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.457 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -53.56 -44.56 69.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.169 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.6 mm100 -55.71 -52.32 64.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.224 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 93.4 mt -61.72 -41.95 98.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.842 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.08 -41.93 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.203 0.525 . . . . 0.0 110.135 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 9.2 mtpm? -70.06 -36.7 75.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.498 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.46 -39.18 81.51 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 51.9 t -64.48 -49.36 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.183 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.5 70.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -66.5 -47.5 72.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.96 -45.87 76.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.852 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.63 -44.44 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.624 0.578 . . . . 0.0 110.634 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -61.48 -50.42 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.28 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 96.9 mt-10 -61.21 -49.15 78.33 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.116 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.433 HD21 ' HG2' ' B' ' 15' ' ' ARG . 13.6 t-20 -50.14 -48.64 53.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.839 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 0.9 OUTLIER -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.348 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 80.5 mt-30 -71.02 -43.18 68.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 16.8 mt -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.315 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -62.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.146 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 68.2 mt-30 -65.64 -41.72 92.31 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.0 tp10 -67.81 -45.88 73.5 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.565 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 HD11 ' B' ' 26' ' ' LEU . 52.3 t -56.91 -49.16 79.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.396 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.22 88.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.796 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.83 -48.3 74.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.661 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 80.4 mt -61.46 -45.61 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.312 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.52 -42.72 91.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.053 0.454 . . . . 0.0 111.079 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.64 -44.95 88.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.94 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -74.38 -23.37 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 111.359 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' SG ' ' HE2' ' B' ' 29' ' ' LYS . 53.3 t -78.23 -25.33 46.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.961 0.41 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.37 68.73 0.47 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.405 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 122.644 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.805 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 39.2 tp10 -91.29 126.49 36.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.996 0.426 . . . . 0.0 110.72 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.4 t -57.27 -51.41 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.471 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 38.1 tt0 -58.68 -43.24 89.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.286 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.805 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.88 -43.02 80.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.255 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.525 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -70.12 -34.77 73.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.195 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 59.1 mtpt -63.01 -40.91 99.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 11.5 mmmm -69.18 -36.1 76.98 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -61.74 -44.57 96.64 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.601 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 77.2 t -59.5 -53.8 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.278 179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -57.36 -39.02 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.139 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.12 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -70.88 -50.33 36.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' B' ' 9' ' ' VAL . 53.2 mmtt -57.23 -39.19 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.839 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.32 71.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.125 0.488 . . . . 0.0 110.781 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.433 ' HG2' HD21 ' A' ' 16' ' ' ASN . 26.0 ttt180 -84.57 -41.4 16.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.42 0.629 . . . . 0.0 109.629 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -60.56 -46.84 88.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.039 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 11.0 t80 -59.51 -49.08 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.628 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.87 97.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.475 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.56 -38.73 91.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HG3' HD13 ' A' ' 19' ' ' LEU . 92.8 mttt -65.37 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.56 0.219 . . . . 0.0 110.619 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.6 mm-40 -73.59 -37.09 65.58 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.2 mtpp -63.22 -45.13 93.09 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.692 178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 19' ' ' ALA . 94.4 t -53.54 -51.44 42.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.928 0.394 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.08 -41.66 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.698 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.91 65.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.512 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.697 HD11 HG13 ' A' ' 23' ' ' VAL . 69.1 mt -62.63 -39.24 93.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.97 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -66.42 -33.68 76.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.151 0.5 . . . . 0.0 109.906 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -76.29 -41.76 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.747 0.784 . . . . 0.0 109.158 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.583 ' HE2' ' SG ' ' A' ' 30' ' ' CYS . 80.5 tttt -59.95 -44.49 94.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 65.0 m -147.28 -66.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 89.17 -151.06 21.79 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.796 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.684 0 O-C-N 122.944 -0.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.575 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.8 tp10 -84.47 160.98 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.68 -51.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.286 0.366 . . . . 0.0 110.774 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -33.97 69.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.604 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.575 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 7.8 mm100 -71.34 -41.81 69.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.596 0.712 . . . . 0.0 110.182 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 9' ' ' VAL . 60.0 mt -69.43 -34.95 75.18 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.426 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -61.84 -40.11 94.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.9 ptpt -72.93 -25.97 61.23 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.218 0.532 . . . . 0.0 109.717 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -75.83 -42.92 48.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.231 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 5' ' ' LEU . 78.2 t -63.8 -43.52 97.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.152 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.94 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.674 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -66.01 -53.5 37.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.22 -42.3 93.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.553 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -55.29 -46.03 76.2 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.516 0.51 . . . . 0.0 111.327 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.08 79.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 51.1 mt-10 -63.48 -46.91 83.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.196 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -52.33 -45.79 65.76 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.72 -41.64 95.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.27 -38.17 71.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.43 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 17.4 mt -61.38 -46.26 90.92 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.3 -44.14 92.56 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.51 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.2 -40.77 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.315 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 18.6 tp10 -64.39 -45.87 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 52.0 t -60.08 -48.89 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.603 178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.35 83.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.921 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.22 -53.16 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.413 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 76.3 mt -61.43 -44.36 97.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -58.14 -39.96 80.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.32 0.581 . . . . 0.0 110.125 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -71.95 -44.97 62.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -69.19 -22.5 63.9 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.99 -25.27 52.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.032 0.444 . . . . 0.0 110.352 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.58 -140.97 16.63 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.416 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 6.2 tp10 -82.06 133.97 35.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.713 0.292 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 60.1 t -56.16 -55.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.604 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.41 -40.61 78.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.141 0.496 . . . . 0.0 110.591 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -61.0 -46.77 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.159 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -65.07 -32.56 74.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.245 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.8 mtpt -64.11 -42.58 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.17 -32.09 71.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.918 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -63.87 -46.21 85.97 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 5' ' ' LEU . 70.7 t -58.75 -47.71 88.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.099 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.75 -43.46 97.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.168 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.85 99.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 109.99 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 12' ' ' ALA . 30.1 mt -64.29 -53.4 49.55 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.176 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -37.82 68.69 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.125 0.265 . . . . 0.0 111.395 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.16 88.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.63 -41.92 71.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.655 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 3.6 m120 -61.23 -36.51 80.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.196 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -63.67 -49.89 71.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.83 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.17 99.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.873 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.581 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -66.78 -37.73 85.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 4.8 tttm -60.7 -52.77 63.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.636 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.477 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.7 pt20 -68.84 -26.56 65.22 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.677 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.2 mttp -63.52 -46.03 87.91 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.1 t -56.79 -48.55 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.471 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.12 -33.62 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.319 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.77 74.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 95.8 mt -64.5 -43.63 93.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.325 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.537 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.2 mtt-85 -65.54 -22.88 66.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -76.62 -47.07 23.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.8 -48.85 43.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 75.8 m -142.01 75.07 1.48 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.29 75.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.009 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 122.707 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.6 tp10 -84.46 163.68 19.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -53.5 -52.2 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.045 0.215 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.91 74.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.34 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.8 mm100 -64.55 -43.82 92.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.361 0.601 . . . . 0.0 110.203 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 2' ' ' VAL . 77.1 mt -66.71 -37.68 85.18 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.094 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -62.42 -42.66 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.59 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 18.4 ptpt -73.14 -25.23 60.75 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.233 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -75.53 -38.41 59.36 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -64.95 -46.22 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.865 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -31.81 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.536 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -64.42 -50.84 66.01 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.785 0.802 . . . . 0.0 108.985 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.65 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.25 -41.88 93.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.02 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -58.79 -43.1 90.42 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.357 0.411 . . . . 0.0 110.896 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.61 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.691 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 5.8 tt0 -57.39 -51.77 68.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.152 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.05 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.534 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 21.9 t80 -58.97 -37.57 77.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.003 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.8 -34.56 69.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.642 0.258 . . . . 0.0 110.617 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.7 mt -67.64 -49.69 61.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.552 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -61.62 -35.44 77.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.768 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.4 mt-30 -62.59 -41.92 99.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.8 mm-40 -66.92 -50.65 61.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.428 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.67 -51.7 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.751 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.51 78.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -62.47 -47.43 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.767 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 88.7 mt -62.27 -44.36 96.71 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.498 ' HA ' ' H ' ' A' ' 31' ' ' GLY . 7.6 mm-40 -69.48 -47.92 62.37 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -53.7 -45.26 70.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.381 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -91.22 -6.81 52.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -142.84 -70.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.498 ' H ' ' HA ' ' A' ' 27' ' ' GLU . . . -64.97 91.69 0.12 Allowed Glycine 0 CA--C 1.521 0.438 0 CA-C-N 116.31 -0.404 . . . . 0.0 113.805 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 122.33 -0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.2 pm0 -76.86 176.79 8.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.797 0.332 . . . . 0.0 111.53 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 5' ' ' LEU . 53.7 t -56.09 -55.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.035 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 53.0 tt0 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.354 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.449 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -62.57 -47.09 85.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 111.014 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.448 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.2 mt -69.43 -28.96 66.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.358 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 63.0 mtpt -64.18 -40.07 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.6 mmmt -69.19 -34.49 74.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -62.09 -44.31 96.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.105 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.9 t -62.62 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.596 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 96.5 mm-40 -64.79 -41.06 96.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.349 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.39 98.49 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 0.0 109.846 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 12' ' ' ALA . 44.4 mt -67.76 -50.03 59.3 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.406 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -54.24 -42.32 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.002 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.35 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.176 0.512 . . . . 0.0 110.358 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -70.34 -42.05 72.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.834 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.529 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.1 m120 -61.64 -47.03 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.98 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -58.66 -47.56 84.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.989 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.49 -37.34 82.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.812 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.551 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -73.49 -43.38 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.41 ' HG3' HD13 ' A' ' 19' ' ' LEU . 91.4 mttt -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.36 -28.43 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.428 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.591 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 12.5 mtpt -70.75 -45.72 64.28 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 19' ' ' ALA . 61.7 t -56.0 -50.68 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.98 0.419 . . . . 0.0 110.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.11 -40.61 98.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.784 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -63.37 -44.96 93.26 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 90.0 mt -61.72 -35.15 77.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -55.08 39.72 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.899 178.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.784 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 2.0 m-70 -66.94 -52.09 47.22 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 121.463 0.649 . . . . 0.0 110.913 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -50.25 -24.88 3.17 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.422 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 48.1 t -163.54 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.8 79.96 0.82 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.002 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.742 -0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.602 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.2 tp10 -78.73 154.96 29.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.535 0.207 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.02 -51.41 71.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.502 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -54.88 -43.91 73.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.602 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.4 mm100 -58.44 -48.76 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.158 0.504 . . . . 0.0 110.599 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' B' ' 2' ' ' VAL . 70.0 mt -63.39 -37.23 86.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.21 -39.43 90.2 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 82.6 mttt -68.36 -39.83 81.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.37 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.3 -41.21 90.07 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.241 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.03 -45.84 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.77 -29.3 69.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.949 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 4.7 tp60 -67.31 -51.67 49.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.118 178.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -61.29 -41.55 97.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.315 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.72 -39.6 92.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.549 178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -47.2 74.86 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.555 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.768 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 82.2 mt-10 -57.08 -54.59 45.07 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -50.39 -44.27 54.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.565 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -61.74 -42.06 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.128 0.489 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.329 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 22.5 mt -62.1 -53.24 58.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.685 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -60.47 -40.81 92.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.471 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -64.27 -44.46 91.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.457 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 25.1 tp10 -65.93 -41.97 90.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.821 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG13 HD11 ' B' ' 26' ' ' LEU . 25.4 t -60.16 -45.04 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.183 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.71 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.39 -50.28 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.44 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB2' HD13 ' B' ' 26' ' ' LEU . 45.0 mt -62.98 -47.66 82.19 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.464 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -58.61 -40.95 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.19 -42.71 75.45 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.533 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -76.19 -32.42 59.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.064 0.459 . . . . 0.0 111.358 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.615 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 46.6 t -76.28 -39.86 53.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.21 73.15 0.47 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.903 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.589 0 O-C-N 122.804 -0.233 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.791 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 8.1 tp10 -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.429 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 5' ' ' LEU . 47.0 t -58.46 -51.92 65.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.677 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 0.8 OUTLIER -57.16 -41.77 79.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.514 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.791 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.51 -42.81 88.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.583 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 9' ' ' VAL . 94.9 mt -73.21 -32.09 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.6 mtpt -63.03 -37.69 88.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.063 0.459 . . . . 0.0 110.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.68 -36.36 80.55 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -64.48 -46.22 83.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.912 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 5' ' ' LEU . 93.5 t -58.9 -47.8 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.797 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.561 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.688 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 12' ' ' ALA . 33.1 mt -68.97 -54.06 17.36 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.527 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -52.87 -39.83 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.6 91.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.867 0.365 . . . . 0.0 110.554 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -69.99 -39.2 76.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.609 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -62.2 -42.26 99.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.309 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 33.9 t80 -57.48 -51.1 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.55 89.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.58 -36.88 85.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.452 ' HG3' HD13 ' A' ' 19' ' ' LEU . 90.9 mttt -65.47 -34.11 77.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 75.4 mm-40 -69.28 -34.34 74.58 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.8 mtpt -64.47 -45.59 86.74 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.282 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.3 t -59.16 -48.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.576 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 21' ' ' GLN . 16.8 pt20 -68.29 -31.84 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.093 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.59 68.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.232 0.539 . . . . 0.0 109.583 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 87.2 mt -64.67 -36.97 85.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.713 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.702 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 0.4 OUTLIER -65.07 -38.86 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.383 0.611 . . . . 0.0 110.26 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -74.04 -42.18 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.288 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.615 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 40.0 ttpt -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.319 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 80.9 m -137.64 -59.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.806 0.336 . . . . 0.0 111.535 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.702 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 104.5 -53.97 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.221 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 O-C-N 123.043 -0.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -75.98 159.4 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.024 0.203 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t -51.84 -52.38 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.235 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.11 -40.49 77.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.67 -50.89 69.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 110.108 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.68 -39.32 87.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.163 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.63 -40.71 95.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.28 -33.93 72.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 0.0 109.766 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -70.38 -45.45 66.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.297 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.22 -44.0 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -28.4 68.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.436 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -69.61 -49.73 51.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.105 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.81 -44.42 81.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.426 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -57.96 -44.5 87.08 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.568 0.223 . . . . 0.0 111.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.67 66.46 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.69 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 6.1 tt0 -57.11 -46.96 82.18 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.109 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.66 -44.56 81.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.14 -42.0 84.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.657 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -68.09 -41.42 81.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.6 mt -60.78 -55.98 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.992 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' B' ' 15' ' ' ARG . 69.5 mm-40 -59.85 -35.91 75.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 3.2 tp60 -64.39 -45.01 89.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.137 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -68.22 -41.95 80.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.968 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 t -58.98 -47.32 90.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.012 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.91 88.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.273 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -57.33 -46.97 82.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.497 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HB2' HD13 ' B' ' 26' ' ' LEU . 95.4 mt -65.92 -54.46 26.17 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.355 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' OE2' HD21 ' B' ' 26' ' ' LEU . 35.8 mm-40 -57.75 -43.13 85.21 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.58 -45.48 91.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.32 -24.67 37.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.147 0.499 . . . . 0.0 110.965 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m -107.71 52.32 0.72 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.197 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.43 -53.69 0.54 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.156 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.559 0 O-C-N 122.706 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.751 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.4 tp10 -82.13 134.62 35.33 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.078 0.236 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.04 -59.42 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.693 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.574 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 4.1 tp-100 -58.61 -37.37 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.751 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.47 -46.12 89.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.037 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.7 mt -66.42 -33.99 76.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.56 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 59.2 mtpt -62.7 -41.9 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -68.85 -34.52 75.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -61.97 -43.68 98.34 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.6 t -63.16 -50.43 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.603 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 99.1 mm-40 -57.74 -37.06 72.94 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.442 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.07 -48.99 55.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.6 mt -61.12 -49.52 76.95 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.116 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -58.63 -35.95 73.29 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.917 0.136 . . . . 0.0 111.094 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.47 86.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.197 0.523 . . . . 0.0 110.045 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.435 HH21 ' CD ' ' A' ' 20' ' ' GLU . 14.4 tpt180 -75.69 -38.84 58.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.549 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -63.25 -46.31 87.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.023 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.493 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 25.8 t80 -58.05 -48.49 79.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.506 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.57 -46.28 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.546 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.5 -37.16 80.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.37 -39.37 94.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.5 mm-40 -67.24 -33.05 74.51 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 24.0 mmmt -64.14 -50.57 67.66 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.694 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 19' ' ' ALA . 48.8 t -55.62 -50.15 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.862 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.05 -31.52 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.988 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.87 61.74 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.195 0.521 . . . . 0.0 109.976 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.4 mt -63.75 -46.84 83.51 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.039 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 23.5 mtt-85 -66.71 -20.66 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.395 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -82.08 -44.31 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 34.5 ttpt -74.24 -47.39 35.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.9 t -147.17 87.64 1.68 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.867 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.63 137.17 14.13 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.182 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 O-C-N 122.75 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.517 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 15.0 tp10 -74.3 158.53 33.85 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.7 t -53.49 -52.97 27.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.014 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.56 71.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.986 0.422 . . . . 0.0 111.583 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 11.4 mm100 -66.12 -44.78 83.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.69 . . . . 0.0 110.323 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 77.7 mt -66.07 -37.82 86.76 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -63.13 -44.18 96.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.733 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -71.42 -24.52 62.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.987 0.422 . . . . 0.0 110.207 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -78.42 -39.86 37.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.599 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' LEU . 39.3 t -61.73 -46.8 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.14 70.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.694 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.9 -46.4 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.685 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -63.89 -46.11 86.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.229 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -59.72 -36.06 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 123.709 0.631 . . . . 0.0 110.226 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.18 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.717 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.8 mt-10 -65.68 -51.95 55.39 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.59 -49.27 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.201 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 26.2 t80 -56.31 -38.44 71.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -78.38 -41.88 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mt -56.42 -49.24 75.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.13 -38.25 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.614 0.245 . . . . 0.0 111.275 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 64.0 mt-30 -67.94 -44.11 77.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 109.924 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -64.18 -43.04 96.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.749 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG13 HD11 ' B' ' 26' ' ' LEU . 20.5 t -62.54 -47.34 93.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -43.16 80.64 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.727 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.85 -48.51 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.375 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' B' ' 26' ' ' LEU . 95.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -61.74 -40.46 95.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 111.203 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -71.53 -35.6 70.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.997 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -86.55 -29.57 22.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.392 . . . . 0.0 111.921 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.807 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 51.1 t -84.83 -37.5 20.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.841 0.353 . . . . 0.0 110.993 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.53 30.03 8.54 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.25 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 122.795 -0.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.7 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 12.1 pt-20 -81.71 169.05 17.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.878 0.37 . . . . 0.0 111.288 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 8.2 t -57.65 -51.09 74.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.806 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -57.79 -37.88 74.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.136 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.7 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -64.88 -46.42 81.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.942 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 95.8 mt -67.52 -33.82 75.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.679 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 10' ' ' GLN . 61.9 mtpt -63.95 -41.46 97.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -63.02 -47.32 83.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 5' ' ' LEU . 64.7 t -60.58 -47.95 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.329 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 5.7 mm100 -63.84 -39.97 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.317 0.117 . . . . 0.0 111.317 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.57 97.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.351 0.596 . . . . 0.0 109.594 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 12' ' ' ALA . 29.6 mt -68.65 -49.82 56.13 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.928 178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -55.2 -41.61 72.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.56 93.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.833 0.349 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.67 -42.01 64.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.145 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.72 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.375 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 5.5 t80 -59.62 -51.74 68.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.674 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.27 97.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.299 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.53 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.89 -42.62 99.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.41 -29.36 70.44 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.608 0.242 . . . . 0.0 110.73 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 70.2 mm-40 -77.52 -42.52 35.24 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.667 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 25.0 mtpp -58.78 -45.87 88.83 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.063 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 19' ' ' ALA . 78.9 t -53.06 -53.04 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 O-C-N 123.2 0.313 . . . . 0.0 110.756 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -65.73 -38.99 90.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.36 83.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 70.0 mt -64.82 -40.73 95.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.048 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.756 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 2.9 mtp-105 -64.65 -34.47 78.37 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.254 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -75.41 -45.27 39.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.231 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.807 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 38.8 ttpt -63.88 -38.93 92.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.324 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 89.2 m -140.15 -62.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 111.085 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 97.09 -157.86 21.11 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.895 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.633 0 O-C-N 122.716 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.633 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 27.3 tp10 -71.17 154.35 41.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.4 -51.8 22.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.297 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.22 79.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.98 0.419 . . . . 0.0 111.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 9.2 mm100 -62.97 -47.94 81.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.364 0.602 . . . . 0.0 109.933 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' B' ' 5' ' ' LEU . 85.0 mt -61.17 -40.08 92.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.009 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -59.86 -43.75 94.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.084 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.415 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.93 -43.04 36.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.665 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -62.32 -47.63 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.56 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.622 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 11' ' ' GLN . 3.0 tp60 -72.19 -49.71 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.636 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -65.44 -39.95 92.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.758 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.489 ' OE2' HD21 ' B' ' 12' ' ' LEU . 17.9 mm-40 -59.3 -42.17 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.213 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.67 96.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.239 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.4 mt-10 -64.7 -51.41 62.56 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 14.9 t-20 -52.98 -45.32 67.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.398 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.79 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.69 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.0 -26.62 39.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 14.5 mt -64.19 -36.79 85.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 16' ' ' ASN . 5.4 mm-40 -62.66 -47.39 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.842 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -64.67 -41.25 96.2 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.049 0.452 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' OE2' HG11 ' B' ' 23' ' ' VAL . 7.7 tt0 -63.29 -42.81 99.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.508 HG13 HD11 ' B' ' 26' ' ' LEU . 24.1 t -67.28 -45.43 86.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.42 82.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.967 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.03 -51.88 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.635 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 83.8 mt -64.36 -42.17 96.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.587 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.07 -43.22 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.102 0.477 . . . . 0.0 110.477 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -64.36 -42.7 96.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.423 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.74 -25.7 61.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.964 0.411 . . . . 0.0 111.176 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 21.0 t -89.71 4.5 49.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.248 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.6 32.91 5.63 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.802 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 122.825 -0.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.728 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 10.2 pt-20 -90.2 171.82 9.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.796 0.331 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 65.3 t -58.39 -53.09 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.974 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.567 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 8.1 tt0 -59.44 -36.26 75.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.487 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.728 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -62.53 -47.44 83.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.45 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.8 mt -72.96 -34.19 66.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.238 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.3 mtpt -62.08 -41.48 98.22 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 21.0 mmmt -70.39 -31.03 68.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 24.1 tpt180 -65.47 -43.21 91.02 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.424 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 5' ' ' LEU . 65.9 t -59.46 -47.33 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.87 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.8 -43.24 93.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.382 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.54 96.91 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.362 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 12' ' ' ALA . 40.2 mt -65.92 -56.12 13.39 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.628 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 12' ' ' ALA . 5.2 mptp? -54.73 -40.6 69.42 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.252 0.548 . . . . 0.0 109.933 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 0.3 OUTLIER -69.75 -41.87 74.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.93 178.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.0 m120 -60.91 -42.71 98.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.24 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.55 -43.46 98.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.812 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -67.08 -36.98 83.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.439 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -71.39 -36.46 71.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.191 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -63.62 -43.52 96.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.633 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.688 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 pt20 -71.79 -18.68 62.09 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.649 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mmmt -72.56 -49.31 33.39 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 19' ' ' ALA . 46.5 t -55.78 -51.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.752 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.688 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 22.7 pt20 -65.76 -31.39 72.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.656 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.7 -42.8 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.231 0.539 . . . . 0.0 109.639 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 92.5 mt -64.85 -44.09 90.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.667 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.635 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 89.4 mtt180 -64.53 -24.21 67.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.031 0.443 . . . . 0.0 110.824 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -79.07 -41.48 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.939 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -77.1 -45.7 26.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.484 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m -140.93 68.26 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.377 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.58 -171.22 32.46 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 117.115 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.543 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 31.4 tp10 -75.51 154.56 36.84 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.601 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 38.5 t -49.38 -58.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -50.52 -46.21 57.11 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.546 0.529 . . . . 0.0 111.864 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.543 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 10.1 mm100 -59.55 -43.4 93.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.496 0.665 . . . . 0.0 110.763 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.463 HD11 HG13 ' B' ' 2' ' ' VAL . 95.1 mt -67.61 -35.74 79.52 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.722 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 2' ' ' VAL . 14.0 mt-10 -61.8 -40.24 94.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 83.7 mttt -68.41 -34.6 76.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -72.41 -44.04 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.094 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.46 -43.68 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.44 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.393 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.19 -49.85 58.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.389 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.68 -41.45 90.72 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.518 0.511 . . . . 0.0 110.49 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -50.85 72.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.738 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 89.8 mt-10 -63.82 -50.11 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.084 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.09 -44.87 64.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.602 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.04 -39.36 85.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.709 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -78.0 -35.98 49.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.489 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.8 mt -58.61 -44.91 90.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.245 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.58 -43.25 97.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.386 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -63.89 -42.42 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.7 -45.41 82.89 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.214 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG13 HD11 ' B' ' 26' ' ' LEU . 29.4 t -61.8 -45.99 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.37 84.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -61.74 -51.7 67.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.22 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 95.5 mt -61.83 -43.91 97.91 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.18 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.0 110.158 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -71.54 -36.35 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -70.19 -33.42 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.566 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.39 -46.79 30.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.63 125.33 1.03 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.053 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 122.854 -0.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 78.8 tt0 -84.21 143.35 29.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.553 0.216 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.463 HG13 HD11 ' A' ' 5' ' ' LEU . 48.6 t -58.38 -54.67 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.414 ' O ' ' HD3' ' B' ' 7' ' ' LYS . 32.0 tt0 -55.14 -41.32 71.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.251 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -64.75 -47.79 76.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.53 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.431 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.6 mt -66.87 -36.54 82.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.968 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.7 mtpt -62.49 -41.21 98.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.32 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' B' ' 3' ' ' GLN . 13.2 mptt -67.72 -30.87 70.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.787 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -66.63 -45.35 79.34 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.1 t -57.69 -48.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.759 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.71 -39.73 94.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.391 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.683 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.612 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 31.8 mt -61.51 -50.71 71.63 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 3.1 mptp? -57.89 -34.87 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.383 0.135 . . . . 0.0 110.916 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.89 81.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.282 0.563 . . . . 0.0 109.893 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -46.4 66.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.211 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.73 -42.64 84.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.998 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 2.2 t80 -58.04 -50.78 72.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.182 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.24 87.5 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.24 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.558 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.08 -39.78 87.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.767 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.32 -38.56 90.53 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 60.7 mm-40 -66.02 -37.94 87.16 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 4.1 mmtm -61.42 -45.79 92.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.714 178.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 19' ' ' ALA . 88.7 t -57.93 -48.24 84.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.137 0.494 . . . . 0.0 110.538 178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -66.05 -39.14 89.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.01 80.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.379 0.609 . . . . 0.0 109.784 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -63.63 -36.95 85.52 Favored 'General case' 0 C--O 1.222 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.72 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.473 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -64.13 -38.69 91.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.154 0.502 . . . . 0.0 110.202 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -67.8 -45.15 75.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.421 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -74.02 -47.76 34.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.472 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.48 88.83 1.8 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.164 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.29 83.94 1.38 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.188 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 122.698 -0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -70.48 164.09 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.223 0.327 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 t -55.21 -45.71 77.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.579 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.58 81.89 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.542 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -57.69 -47.19 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.163 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD11 HG13 ' B' ' 2' ' ' VAL . 91.2 mt -64.98 -39.62 93.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.397 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -61.01 -41.05 95.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -68.12 -34.82 77.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.071 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.89 -45.81 59.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.02 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD11 ' B' ' 12' ' ' LEU . 59.2 t -62.44 -42.34 95.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -27.97 66.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.445 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -71.51 -48.32 49.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.297 0.57 . . . . 0.0 109.486 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.558 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.38 -43.24 81.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.466 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.49 -36.4 80.38 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.163 0.29 . . . . 0.0 111.1 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -53.68 50.09 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.749 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 12.2 tt0 -57.91 -51.98 67.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.136 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 HD21 ' HG2' ' B' ' 15' ' ' ARG . 21.9 t-20 -53.04 -46.98 68.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.059 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 17.1 t80 -58.23 -41.04 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.964 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.6 -36.97 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.149 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.749 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.5 mt -67.24 -54.89 16.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.792 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.39 -27.77 68.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.449 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 2.3 tp-100 -68.29 -37.56 80.77 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 12.4 tt0 -72.57 -44.17 62.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.823 178.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG13 HD11 ' B' ' 26' ' ' LEU . 53.1 t -58.74 -49.99 80.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.921 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.91 86.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.352 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.37 -48.55 77.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.115 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 76.6 mt -62.38 -55.67 25.67 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -53.57 -47.9 69.67 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.689 0.281 . . . . 0.0 111.731 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -60.5 -51.36 69.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.588 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -67.97 -26.9 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.035 0.445 . . . . 0.0 110.685 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.88 18.29 12.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.622 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.86 71.25 0.63 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.409 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 122.727 -0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.4 158.09 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.993 0.183 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 12.5 t -55.91 -55.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -57.73 -39.39 77.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.412 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.99 -45.7 91.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.039 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 61.4 mt -65.91 -33.67 76.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 60.4 mtpt -61.56 -41.39 97.3 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.32 -34.28 75.84 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.81 -43.02 99.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 73.6 t -62.72 -49.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.378 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.81 -41.31 90.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.764 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.81 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.851 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.4 mt -65.73 -52.37 51.79 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.605 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -56.87 -41.1 77.39 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.026 0.204 . . . . 0.0 111.246 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.99 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 110.332 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.412 ' HG2' HD21 ' A' ' 16' ' ' ASN . 19.5 ttt180 -72.32 -40.89 67.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.701 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.425 HD21 ' HB3' ' A' ' 15' ' ' GLU . 3.0 m120 -61.93 -40.59 96.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.788 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 1.1 t80 -57.56 -53.76 54.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.65 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.92 96.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.906 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.478 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.1 -40.3 93.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.13 -37.92 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.828 0.347 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 62.0 mm-40 -71.99 -39.81 68.99 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 5.3 mmtp -57.31 -50.79 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.34 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 19' ' ' ALA . 76.0 t -54.73 -51.16 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.06 -33.02 73.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.703 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.96 75.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.642 HD11 HG13 ' A' ' 23' ' ' VAL . 83.8 mt -65.76 -39.01 90.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.454 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -46.54 88.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.184 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -69.63 -47.3 63.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.17 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -72.24 -38.21 68.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 34.7 t -131.6 -73.08 0.53 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.773 0.32 . . . . 0.0 111.3 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.6 -153.19 17.21 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 O-C-N 122.463 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 1.006 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 73.2 tt0 -63.64 150.9 43.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.663 0.268 . . . . 0.0 111.056 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.67 -50.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.557 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.75 79.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.235 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 1.006 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 79.8 mm-40 -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 109.941 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 9' ' ' VAL . 95.9 mt -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.478 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -60.93 -40.35 92.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.901 0.381 . . . . 0.0 110.308 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -67.16 -40.82 86.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.747 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.63 -42.61 82.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' LEU . 71.8 t -63.6 -42.09 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -27.41 66.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.589 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -70.29 -51.23 31.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.62 -43.47 89.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.313 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.83 -40.26 87.91 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.082 0.239 . . . . 0.0 111.202 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 18' ' ' GLN . . . -66.04 -46.9 76.2 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.806 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.6 mt-10 -63.45 -46.07 87.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.946 178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -55.68 -41.05 73.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.011 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -58.42 -47.76 82.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.291 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 7.3 pt20 -75.23 -25.12 57.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.576 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 39.8 mt -68.7 -48.05 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -64.32 -33.65 76.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.069 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.93 -46.6 84.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.738 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG13 ' B' ' 23' ' ' VAL . 4.2 tp10 -68.61 -46.01 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.045 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.488 HG13 HD11 ' B' ' 26' ' ' LEU . 32.7 t -57.5 -43.45 82.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.554 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.3 -46.19 86.58 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -60.08 -48.53 81.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.6 mt -66.36 -48.23 70.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.613 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.63 -43.18 97.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.019 0.438 . . . . 0.0 110.74 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -62.34 -38.63 90.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.281 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -76.34 -31.65 58.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.622 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 m -67.32 -49.16 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 0.0 109.99 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 138.24 84.33 0.12 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.62 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 122.898 -0.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.35 148.85 38.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 43.1 t -54.28 -54.46 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.267 0.355 . . . . 0.0 110.683 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 41.7 tt0 -60.54 -43.26 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.198 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.03 -46.67 78.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.8 mt -71.62 -28.35 63.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.167 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.3 mtpt -65.18 -43.2 92.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -64.09 -35.32 80.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.114 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -64.6 -48.14 76.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.775 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 5' ' ' LEU . 75.4 t -57.48 -50.84 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -62.18 -40.19 95.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.269 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.24 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.176 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.614 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 51.6 mt -63.39 -50.62 69.16 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.955 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -56.7 -41.19 76.95 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -45.92 83.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 109.742 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -63.8 -42.98 97.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.452 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -62.63 -45.76 91.37 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -59.75 -43.84 94.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.832 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.09 77.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.508 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.38 -39.57 91.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.31 -39.05 93.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.497 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 46.5 mm-40 -68.23 -33.88 75.21 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.553 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.5 OUTLIER -62.23 -44.32 96.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.815 178.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.523 HG13 ' HG2' ' A' ' 22' ' ' GLU . 95.5 t -56.44 -52.61 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.547 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -67.32 -33.3 74.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.226 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.14 -44.57 83.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.254 0.55 . . . . 0.0 109.598 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 89.4 mt -66.72 -42.37 86.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.134 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 37.5 mtt-85 -67.76 -14.28 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.341 0.591 . . . . 0.0 110.851 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -88.97 -38.1 14.71 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.98 -45.71 17.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.224 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 31.1 m -122.44 9.53 9.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' B' ' 27' ' ' ARG . . . -86.57 170.39 42.26 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.025 -1.083 . . . . 0.0 111.763 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.542 0 O-C-N 122.807 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 4' ' ' GLN . 43.5 mt-10 -85.65 171.08 11.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.856 0.36 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.45 -48.43 87.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.04 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.083 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.438 ' HG2' ' HB2' ' A' ' 1' ' ' GLU . 13.1 mm100 -62.12 -50.55 71.43 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.232 0.539 . . . . 0.0 110.162 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 HG13 ' B' ' 2' ' ' VAL . 78.3 mt -64.37 -34.99 79.43 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.813 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.7 -40.1 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.569 0.224 . . . . 0.0 110.418 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.12 -34.1 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 33.0 tp10 -72.22 -39.56 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.921 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -66.38 -46.05 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.021 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 52.5 tp60 -65.07 -50.89 64.4 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.706 0.765 . . . . 0.0 109.052 178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.29 -44.28 83.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 8' ' ' ARG . 26.9 mt-10 -64.61 -36.27 83.71 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.279 0.362 . . . . 0.0 111.606 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.76 86.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.761 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 48.1 mt-10 -66.96 -48.65 67.89 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.567 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -51.87 -43.67 63.38 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -56.9 -44.4 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -71.76 -43.63 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.83 -51.22 69.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.48 -33.42 75.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -71.08 -45.11 64.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -50.88 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.696 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.35 76.62 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.081 0.467 . . . . 0.0 110.73 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.6 -50.9 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 94.7 mt -61.38 -46.08 91.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.812 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.09 -44.69 94.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.176 0.513 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -66.18 -44.6 83.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.426 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -73.51 -22.81 60.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.1 t -79.72 -16.12 56.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.997 0.427 . . . . 0.0 110.39 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.98 -75.75 0.38 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.774 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.639 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.3 pm0 -83.32 168.71 16.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.748 0.308 . . . . 0.0 111.073 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 5' ' ' LEU . 15.4 t -54.95 -54.88 19.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.985 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.566 ' HA ' ' HD3' ' B' ' 6' ' ' LYS . 61.1 tp60 -61.33 -30.89 70.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.653 0.263 . . . . 0.0 110.743 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.02 -47.15 69.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.106 0.479 . . . . 0.0 110.653 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.478 ' O ' HG23 ' B' ' 9' ' ' VAL . 92.8 mt -69.23 -26.13 64.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.636 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.566 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 62.9 mtpt -64.34 -38.73 92.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 24.3 mmmt -68.98 -35.34 76.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.164 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' A' ' 13' ' ' GLU . 29.8 tpt180 -64.4 -45.61 86.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.627 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 5' ' ' LEU . 66.1 t -58.4 -49.87 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.656 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 10.6 mm-40 -62.8 -42.78 99.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.76 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.082 0.468 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.58 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 41.7 mt -74.11 -56.28 5.1 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.4 mptp? -53.17 -37.59 62.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.239 0.337 . . . . 0.0 111.717 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.24 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.081 0.467 . . . . 0.0 110.225 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -39.85 75.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.766 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.2 -41.07 98.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -60.88 -46.23 91.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.198 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.37 78.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -63.05 -41.52 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.305 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.55 -44.72 93.16 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.976 0.417 . . . . 0.0 110.808 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.536 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 60.8 mt-30 -66.16 -31.28 72.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.523 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -67.75 -44.62 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 73.1 t -59.72 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 19.3 pt20 -65.63 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.27 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.99 -42.85 62.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.327 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.0 mt -65.48 -41.6 93.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 22.9 mtt-85 -68.89 -22.42 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.306 0.574 . . . . 0.0 110.576 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -80.43 -40.74 25.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.436 0.636 . . . . 0.0 109.528 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -77.68 -46.39 22.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.71 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 71.3 m -141.12 61.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.494 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.69 24.69 7.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.074 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.606 0 O-C-N 122.921 -0.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -82.67 163.69 21.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -52.55 -51.75 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.201 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.95 -38.24 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.723 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -65.94 -51.01 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.192 0.52 . . . . 0.0 110.023 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.6 -39.74 85.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.74 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.33 -40.98 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.473 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.37 -29.39 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -72.98 -40.91 64.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.93 -44.51 99.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.483 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.97 -48.89 72.42 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.719 0.771 . . . . 0.0 109.265 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -65.83 -44.75 84.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.816 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -59.44 -39.07 82.37 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.481 0.488 . . . . 0.0 110.389 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.79 86.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.32 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.739 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 50.2 mt-10 -65.68 -50.07 66.24 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.422 HD21 ' HG2' ' B' ' 15' ' ' ARG . 8.7 t-20 -51.25 -45.26 61.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -56.13 -43.0 77.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.609 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.49 -36.79 60.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.232 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mt -64.22 -52.94 56.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.595 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -61.21 -37.7 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.432 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -66.45 -43.39 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.189 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.717 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG13 HD11 ' B' ' 26' ' ' LEU . 24.7 t -61.25 -42.31 92.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.344 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.46 83.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.952 0.406 . . . . 0.0 110.014 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 8.1 tt0 -59.48 -50.15 75.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.459 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 91.6 mt -60.57 -50.4 73.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.63 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -57.11 -39.73 75.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -64.75 -38.51 91.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.679 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 5.4 mm-40 -78.04 -28.48 49.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.188 0.518 . . . . 0.0 110.916 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.6 m -68.37 -27.21 66.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.402 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.3 -66.6 2.15 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.09 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.578 0 O-C-N 122.663 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 39.8 tt0 -90.64 123.71 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.831 0.348 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 71.8 t -56.93 -54.13 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.87 -37.33 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.327 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -62.95 -49.17 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.164 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 1' ' ' GLU . 84.9 mt -65.04 -36.17 83.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 58.8 mtpt -59.4 -45.41 91.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 0.0 110.273 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -31.93 72.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.691 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' B' ' 8' ' ' ARG . 18.8 tpt180 -64.58 -45.01 88.83 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.557 HG13 ' HE3' ' B' ' 13' ' ' LYS . 53.7 t -58.72 -50.07 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.408 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -62.53 -40.24 96.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.15 95.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.393 0.616 . . . . 0.0 110.459 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 42.0 mt -66.42 -53.06 40.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.557 ' HE3' HG13 ' B' ' 9' ' ' VAL . 3.1 mptp? -56.27 -34.67 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.174 0.296 . . . . 0.0 111.106 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.63 -46.07 80.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.022 0.439 . . . . 0.0 109.858 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.7 tpt180 -69.7 -38.24 76.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.11 -39.85 95.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.053 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 50.1 t80 -60.32 -54.73 42.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.236 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.77 97.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.323 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.578 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.17 -41.56 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -60.46 -35.46 75.94 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 59.0 mm-40 -74.67 -39.69 61.87 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.87 -47.4 85.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.602 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 19' ' ' ALA . 68.1 t -57.22 -48.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.545 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -67.49 -36.31 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.25 -46.02 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.93 0.395 . . . . 0.0 110.373 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.496 HD11 HG13 ' A' ' 23' ' ' VAL . 94.5 mt -62.27 -45.03 95.09 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.072 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 1.074 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 80.5 mtt180 -64.51 -27.67 69.13 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 111.272 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -78.74 -44.23 23.88 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.375 0.607 . . . . 0.0 110.017 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.06 -48.83 56.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.024 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.4 -21.57 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 1.074 ' HA3' ' HA ' ' B' ' 27' ' ' ARG . . . -38.79 -58.79 1.77 Allowed Glycine 0 C--N 1.337 0.638 0 O-C-N 123.389 0.431 . . . . 0.0 113.998 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 122.466 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.467 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 38.4 tt0 -79.95 157.96 26.73 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.209 0.318 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.5 t -51.57 -51.14 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.729 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.35 -42.25 81.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 110.778 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.467 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.6 mm100 -61.0 -45.09 96.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.527 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD11 HG13 ' B' ' 2' ' ' VAL . 62.5 mt -65.73 -36.92 84.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.36 -39.46 93.21 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 92.3 mttt -67.34 -36.42 81.38 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.497 178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -68.52 -40.99 80.59 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.742 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.34 -45.3 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -26.65 68.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.509 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -69.31 -51.47 36.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.626 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.01 -39.15 93.47 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.072 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -61.29 -42.97 99.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.301 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.27 84.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.871 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 44.9 mt-10 -62.37 -49.68 74.59 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.725 178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.58 -48.55 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.623 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.59 -42.31 78.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.018 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.12 -40.95 74.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.339 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 15.5 mt -62.36 -51.39 67.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -59.83 -41.47 91.39 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -68.4 -39.16 81.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.8 tt0 -65.78 -40.9 92.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.812 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.856 HG13 HD11 ' B' ' 26' ' ' LEU . 40.7 t -59.68 -46.82 92.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.49 96.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.027 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -62.09 -47.4 84.82 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.484 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 40.9 mt -59.1 -46.21 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.88 -44.96 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 0.0 110.292 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -66.48 -43.2 86.05 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.645 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -69.69 -26.6 64.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.675 0.274 . . . . 0.0 110.899 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.9 t -68.78 -45.59 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.881 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.96 131.18 2.14 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 O-C-N 122.806 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' B' ' 4' ' ' ALA . 38.0 tt0 -90.9 134.88 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.529 0.204 . . . . 0.0 110.522 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.505 HG13 HD11 ' A' ' 5' ' ' LEU . 55.1 t -58.78 -53.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.183 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -44.19 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 109.868 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -59.37 -46.35 88.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.437 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.5 mt -67.82 -34.78 77.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.644 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -61.83 -41.83 98.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -69.42 -32.32 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.9 t -59.39 -48.18 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.998 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.24 -36.01 82.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.435 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -45.59 85.7 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.178 0.513 . . . . 0.0 109.707 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 12' ' ' ALA . 34.9 mt -64.91 -46.78 80.26 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.001 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -55.65 -40.69 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.123 0.264 . . . . 0.0 110.926 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.9 89.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.053 0.454 . . . . 0.0 110.548 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -70.17 -39.91 75.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.1 -44.98 95.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.193 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.0 -46.75 87.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.76 -43.95 94.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.767 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.06 -43.34 95.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.44 ' HG3' HD13 ' A' ' 19' ' ' LEU . 48.9 mttm -59.31 -40.38 86.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.38 -42.32 88.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.0 OUTLIER -60.05 -43.17 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.194 178.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.5 t -58.88 -52.33 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.808 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -62.25 -38.49 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.219 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.41 78.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 23' ' ' VAL . 74.1 mt -62.47 -42.54 99.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.483 0.659 . . . . 0.0 110.198 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.555 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 12.6 ttt-85 -65.51 -31.42 72.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.087 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -80.43 -48.36 12.99 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.247 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -64.45 -44.67 90.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.819 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 22.3 t -129.13 -63.06 0.97 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.031 0.444 . . . . 0.0 111.422 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 125.38 -35.64 3.02 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.685 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 O-C-N 123.061 -0.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.706 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 75.0 tt0 -72.08 152.99 41.98 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -56.64 -50.74 72.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.329 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.45 82.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.905 0.384 . . . . 0.0 111.209 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.706 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.9 mm100 -63.83 -42.19 97.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.432 0.634 . . . . 0.0 110.178 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' VAL . 79.8 mt -71.32 -35.23 71.15 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.983 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.21 -40.93 94.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.042 178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -74.28 -19.62 60.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.289 0.566 . . . . 0.0 109.674 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -80.69 -45.87 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.7 t -62.92 -45.25 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.9 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -27.3 68.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.777 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.42 -48.32 56.63 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -68.5 -44.83 73.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.738 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.52 -39.05 75.69 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.497 0.498 . . . . 0.0 110.868 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.11 66.83 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.251 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.754 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 61.6 mt-10 -64.11 -53.04 55.79 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.053 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -48.56 -48.65 38.54 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.477 -178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -41.72 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.86 -39.38 56.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 38.2 mt -57.51 -48.4 79.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.355 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -61.64 -42.5 98.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -38.84 92.68 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.881 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' B' ' 23' ' ' VAL . 45.8 tp10 -70.42 -46.43 63.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.961 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.434 HG13 HD11 ' B' ' 26' ' ' LEU . 47.6 t -59.32 -48.11 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.782 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.76 80.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -64.02 -50.48 68.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.658 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 93.0 mt -61.8 -45.29 94.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.408 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -62.17 -42.85 99.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.061 0.458 . . . . 0.0 110.577 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -64.39 -45.25 88.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.238 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 5.1 mm-40 -72.21 -26.61 62.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.98 0.419 . . . . 0.0 111.41 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.7 t -79.97 -0.95 37.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.635 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.86 -14.84 58.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.239 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 122.725 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 5' ' ' LEU . 5.4 tp10 -91.3 137.2 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.691 0.281 . . . . 0.0 110.899 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 39.1 t -59.53 -52.69 57.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.512 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -58.24 -35.78 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.373 0.606 . . . . 0.0 110.591 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 1' ' ' GLU . . . -69.5 -48.14 61.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.536 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.3 mt -65.89 -34.7 78.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.532 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 56.5 mtpt -61.81 -42.47 99.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -67.58 -32.53 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.828 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.63 -48.21 88.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.383 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 3.5 mm100 -57.9 -43.9 86.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.945 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.78 -48.49 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.609 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 48.0 mt -59.72 -52.11 66.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.64 -36.98 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.003 0.189 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -70.14 -46.97 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.417 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.8 m120 -56.81 -40.55 76.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.46 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -60.42 -53.43 57.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.954 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.72 88.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.5 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -64.87 -42.64 94.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.511 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -57.22 -41.68 79.94 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.142 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.29 -36.04 71.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.232 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -66.02 -43.99 86.03 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 22' ' ' GLU . 78.7 t -57.35 -52.76 52.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.0 -33.49 76.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.46 -44.29 62.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.145 0.498 . . . . 0.0 110.569 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 95.6 mt -65.12 -43.71 91.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.782 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.464 ' HA ' ' HA3' ' B' ' 31' ' ' GLY . 0.5 OUTLIER -65.62 -26.4 67.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.179 0.514 . . . . 0.0 111.019 -179.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -81.41 -39.79 24.4 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -82.34 -42.32 18.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.001 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 86.1 m -140.35 49.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.902 -178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' B' ' 27' ' ' ARG . . . -129.99 116.69 2.14 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.826 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 116.866 0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp10 -90.8 141.43 28.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.541 HG22 HG23 ' B' ' 2' ' ' VAL . 19.2 t -61.81 -44.91 99.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.7 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.46 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.655 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 14.2 mm100 -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 110.56 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 84.6 mt -63.43 -38.17 90.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -60.69 -44.11 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.43 -35.85 81.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.31 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -72.04 -43.33 65.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.4 t -63.41 -46.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.09 -24.49 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.51 -52.16 14.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.338 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -64.9 -41.79 95.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.211 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.49 -46.45 88.77 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.14 0.275 . . . . 0.0 110.862 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.47 87.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.73 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.7 tt0 -58.34 -52.32 66.11 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.018 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.534 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 18.2 t-20 -54.18 -48.46 70.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -55.07 -43.98 74.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.508 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.66 -32.89 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 43.7 mt -67.28 -38.78 85.61 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 35.0 mt-10 -62.11 -48.52 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.353 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.13 -38.41 90.53 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.32 -44.38 96.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.759 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD11 ' B' ' 26' ' ' LEU . 26.8 t -65.87 -47.22 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.221 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.88 83.54 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 120.835 0.35 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 37.8 tt0 -59.71 -54.55 45.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.363 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 90.7 mt -59.42 -44.34 92.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.46 -45.04 89.42 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.319 0.58 . . . . 0.0 110.271 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -69.16 -50.14 50.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.867 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 77.4 mm-40 -61.22 -29.12 69.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.14 0.495 . . . . 0.0 111.399 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 5.8 t -66.88 -29.65 69.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.445 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.79 -12.74 80.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.547 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 O-C-N 122.446 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.946 ' HB3' ' HB3' ' B' ' 4' ' ' ALA . 2.7 mp0 -91.26 68.39 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.452 0.644 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 2' ' ' VAL . 3.4 t -60.32 -47.68 91.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.444 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.644 HE21 ' HD3' ' B' ' 7' ' ' LYS . 47.7 tp60 -59.85 -41.82 92.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.379 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.946 ' HB3' ' HB3' ' B' ' 1' ' ' GLU . . . -62.19 -43.85 97.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.987 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.2 mt -67.36 -33.06 74.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.471 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 51.2 mtpt -62.85 -40.46 97.52 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.644 ' HD3' HE21 ' B' ' 3' ' ' GLN . 11.6 mmmm -68.61 -34.29 75.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -63.8 -45.38 89.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.529 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 73.3 t -59.01 -49.04 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.259 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.4 -44.99 92.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.347 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.9 92.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.462 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 12' ' ' ALA . 53.2 mt -64.52 -52.99 54.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.069 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 4.2 mptp? -55.96 -37.27 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.164 0.29 . . . . 0.0 111.066 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.45 99.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.017 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -73.19 -45.04 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.25 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.637 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.7 m120 -58.7 -40.78 84.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.87 -49.68 73.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.537 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.08 92.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.572 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -61.61 -39.98 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -63.93 -44.82 91.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.696 0.284 . . . . 0.0 110.733 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.599 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 1.5 mp0 -67.57 -23.78 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.372 0.606 . . . . 0.0 109.615 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.1 tmtt? -76.27 -47.85 22.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 19' ' ' ALA . 71.1 t -58.08 -47.22 87.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.599 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 2.6 pt20 -65.85 -39.77 91.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.851 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -64.04 -44.54 92.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.1 mt -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -65.89 -40.65 91.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.803 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 1.8 m-70 -77.06 -60.84 2.2 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 122.315 1.055 . . . . 0.0 109.944 178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -53.12 -24.4 10.27 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 112.317 -2.22 . . . . 0.0 112.705 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 60.3 m -142.01 -46.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.1 -32.44 20.34 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.376 -0.44 . . . . 0.0 113.821 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 O-C-N 122.584 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.477 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.3 tp10 -75.9 158.24 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.71 -48.62 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.36 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 7' ' ' LYS . . . -57.06 -39.39 74.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.388 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.477 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 13.0 mm100 -63.05 -46.85 85.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.516 0.674 . . . . 0.0 110.133 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 89.5 mt -65.36 -35.2 80.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.319 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -60.13 -42.11 94.08 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 91.5 mttt -64.53 -40.37 95.49 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.399 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -65.78 -45.73 81.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG21 HD22 ' B' ' 5' ' ' LEU . 56.5 t -62.49 -47.65 91.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.764 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 3.5 tp-100 -69.06 -45.46 70.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.681 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.5 -45.18 76.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' B' ' 12' ' ' LEU . 51.3 mt-10 -62.74 -36.41 82.94 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 123.451 0.47 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.73 77.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 94.9 mt-10 -60.77 -54.71 41.86 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -47.56 -48.73 27.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.458 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.53 -39.63 84.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.836 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -77.64 -31.37 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.536 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 30.2 mt -63.81 -46.43 85.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.75 -37.88 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -65.17 -45.28 85.55 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.048 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -64.3 -42.86 96.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.032 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.543 HG13 HD11 ' B' ' 26' ' ' LEU . 24.4 t -58.93 -47.68 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.081 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.29 -41.16 83.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.487 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 60.0 tp60 -62.4 -54.92 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.483 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 96.5 mt -59.67 -41.15 89.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.05 -38.16 85.2 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.464 0.65 . . . . 0.0 109.784 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -72.84 -40.08 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.576 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 55.9 mm-40 -66.49 -37.51 85.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.304 0.573 . . . . 0.0 110.225 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 t -74.78 -52.45 11.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.477 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.75 111.83 1.11 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.981 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 O-C-N 122.637 -0.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.801 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 13.2 tp10 -91.33 130.37 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 48.5 t -65.26 -49.47 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.131 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -58.55 -40.66 83.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 110.164 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.801 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -58.56 -39.54 80.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.124 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 9' ' ' VAL . 65.8 mt -78.39 -35.32 47.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.7 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 61.2 mtpt -59.97 -44.3 94.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.37 -33.22 74.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -64.04 -45.57 88.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 5' ' ' LEU . 72.3 t -59.07 -47.62 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.54 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -62.67 -42.16 99.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.973 0.416 . . . . 0.0 110.254 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 12' ' ' ALA . 42.6 mt -67.87 -52.68 33.76 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.624 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -54.06 -38.31 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.249 0.343 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -46.66 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.149 0.5 . . . . 0.0 109.674 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -66.26 -43.03 87.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.236 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' GLU . 3.7 m120 -61.01 -42.86 99.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.467 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -45.67 90.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -64.38 -34.87 79.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.08 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.502 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -78.34 -37.45 44.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -60.75 -47.17 87.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.552 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' B' ' 21' ' ' GLN . 1.4 pt20 -65.82 -26.65 67.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.843 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 3.8 mmmm -67.7 -48.16 67.34 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 19' ' ' ALA . 62.5 t -57.92 -48.61 83.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.158 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.502 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.38 -47.97 65.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' VAL . 93.3 mt -62.82 -43.39 98.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.611 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 23' ' ' VAL . 6.1 ttt85 -69.0 -19.62 64.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.0 111.071 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -85.89 -46.47 10.56 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -68.41 -47.62 66.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.313 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 89.2 m -137.86 71.04 1.39 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.714 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.88 167.04 39.44 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.691 0 O-C-N 122.557 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.546 ' H1 ' HG21 ' B' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.234 0.259 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -92.81 99.56 12.21 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.202 0.525 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.7 t -75.57 -36.19 33.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.17 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.701 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.81 -45.85 91.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.279 0.561 . . . . 0.0 110.659 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.456 HD11 HG13 ' B' ' 2' ' ' VAL . 49.8 mt -67.68 -33.24 74.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.31 -41.03 92.62 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -67.58 -38.31 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.095 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -67.89 -44.05 77.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.405 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 5' ' ' LEU . 59.2 t -65.46 -44.65 94.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.74 -24.97 67.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.935 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -69.87 -51.97 28.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.531 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -66.48 -43.84 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.643 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' OE2' HD21 ' B' ' 12' ' ' LEU . 29.4 mm-40 -56.49 -43.46 79.69 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 123.474 0.484 . . . . 0.0 111.277 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.26 -49.54 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.716 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.709 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 49.4 mt-10 -66.86 -45.44 78.14 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.485 0.491 . . . . 0.0 109.959 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -56.49 -44.61 80.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.213 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.55 -34.47 70.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.135 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 20.8 mt -67.02 -50.08 63.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.42 -41.57 89.83 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.075 0.464 . . . . 0.0 109.887 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.34 -41.4 96.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.56 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -72.15 -41.99 66.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 26' ' ' LEU . 36.8 t -59.53 -49.66 82.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.637 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.61 72.58 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.457 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -60.29 -51.03 71.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.648 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.618 ' CD1' ' HG3' ' B' ' 27' ' ' ARG . 94.8 mt -62.55 -43.7 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.442 0.639 . . . . 0.0 109.832 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -67.49 -43.93 79.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.6 -33.77 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' SG ' ' HE3' ' B' ' 29' ' ' LYS . 49.9 t -71.86 -39.78 69.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.641 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.35 149.0 23.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.388 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.587 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 6.8 pt-20 -90.41 168.52 11.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.667 0.27 . . . . 0.0 111.602 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.546 HG21 ' H1 ' ' A' ' 0' ' ' ACE . 14.9 t -58.28 -51.9 65.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.057 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.87 -36.52 74.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.577 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.523 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.01 -45.95 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.487 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.56 ' O ' HG23 ' B' ' 9' ' ' VAL . 88.1 mt -67.69 -33.21 74.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.147 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.76 -40.17 94.2 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -70.32 -34.65 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -63.28 -44.61 94.61 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.318 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.675 HG13 ' HE3' ' B' ' 13' ' ' LYS . 76.4 t -58.04 -53.96 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.677 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -59.33 -39.05 81.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.27 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 109.89 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' A' ' 12' ' ' ALA . 35.7 mt -66.04 -49.36 67.97 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.675 ' HE3' HG13 ' B' ' 9' ' ' VAL . 19.8 mmtp -59.29 -41.73 89.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 111.096 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.79 73.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.121 0.486 . . . . 0.0 110.318 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -80.45 -39.8 27.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.793 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.05 -41.42 99.48 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.272 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -60.63 -47.49 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.317 0.579 . . . . 0.0 109.69 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.65 89.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.871 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.15 -42.07 98.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.291 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.94 -41.21 95.82 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -69.21 -31.76 70.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.692 178.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.562 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 20.6 mtpp -67.25 -46.3 74.14 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 19' ' ' ALA . 90.1 t -55.92 -49.03 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.466 ' HG2' ' HA ' ' B' ' 21' ' ' GLN . 16.7 pt20 -68.77 -30.99 69.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.641 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.56 -44.19 29.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.889 0.376 . . . . 0.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 22' ' ' LYS . 95.1 mt -62.3 -43.29 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.195 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.618 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 35.7 mtt-85 -64.95 -29.62 70.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -76.74 -43.4 37.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.0 109.799 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.523 ' HE3' ' SG ' ' A' ' 30' ' ' CYS . 38.5 ttpt -73.08 -46.89 48.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.354 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 82.5 m -142.06 79.74 1.68 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.111 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.79 -117.32 3.9 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.135 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 122.743 -0.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.681 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 2.1 tp10 -71.47 152.05 43.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.18 -53.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.216 0.322 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.71 75.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 111.268 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.681 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 8.5 mm100 -57.09 -47.46 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.548 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.55 -41.54 96.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.869 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -59.44 -40.96 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -69.49 -32.07 70.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.258 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -73.62 -41.61 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.077 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.688 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.6 -26.76 67.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.983 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -70.11 -49.78 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.375 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -68.57 -40.76 80.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.577 ' OE2' HD21 ' B' ' 12' ' ' LEU . 33.3 mm-40 -57.32 -41.82 80.65 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.407 0.442 . . . . 0.0 110.649 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -52.02 65.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.35 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.748 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 66.2 mt-10 -61.27 -47.6 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.79 -43.9 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.531 0.52 . . . . 0.0 110.839 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.19 -43.84 92.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.129 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -69.39 -36.58 76.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.211 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 21.0 mt -66.1 -54.3 27.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.391 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -58.77 -40.24 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -62.69 -41.47 99.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.214 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -70.87 -45.6 64.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.349 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.5 t -57.81 -48.02 84.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.615 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.38 -45.7 76.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.977 0.418 . . . . 0.0 110.433 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -62.13 -53.15 59.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.764 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 89.5 mt -60.07 -47.21 86.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.964 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.39 -41.4 97.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.766 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -67.22 -42.04 84.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.222 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.91 -35.8 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.976 0.417 . . . . 0.0 110.747 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.54 -41.26 80.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.972 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.83 36.22 4.54 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.977 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 O-C-N 122.9 -0.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.689 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 32.9 tp10 -90.53 122.3 33.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 110.571 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 64.8 t -54.61 -57.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.214 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 40.9 tt0 -57.61 -41.47 81.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.689 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -56.68 -48.79 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.716 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.521 ' O ' HG23 ' B' ' 9' ' ' VAL . 96.4 mt -65.74 -32.29 73.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' B' ' 3' ' ' GLN . 60.8 mtpt -64.26 -39.94 94.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 0.1 OUTLIER -66.8 -36.65 82.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.212 178.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -63.69 -46.04 87.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.598 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 5' ' ' LEU . 71.4 t -58.15 -49.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' B' ' 10' ' ' GLN . 8.4 mm-40 -65.93 -36.73 84.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.316 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.78 90.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.193 0.521 . . . . 0.0 109.771 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.577 HD21 ' OE2' ' A' ' 13' ' ' GLU . 33.3 mt -65.09 -51.13 63.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' B' ' 17' ' ' TYR . 5.5 mptp? -55.5 -38.05 68.65 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.493 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.53 95.13 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.263 0.554 . . . . 0.0 110.238 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -73.84 -45.79 49.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 3.7 m120 -59.13 -46.23 88.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.93 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' B' ' 13' ' ' LYS . 2.2 t80 -58.54 -41.64 85.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.63 -46.42 31.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.345 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.577 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.78 -39.72 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.642 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -59.71 -40.64 88.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.861 0.363 . . . . 0.0 110.477 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.412 HE21 ' HD1' ' B' ' 17' ' ' TYR . 69.4 mt-30 -70.94 -33.61 70.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 7.4 mmtt -64.18 -48.31 76.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.771 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 19' ' ' ALA . 63.0 t -55.7 -49.22 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 110.582 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -65.49 -37.36 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.01 68.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.022 0.439 . . . . 0.0 110.436 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.4 mt -63.4 -42.53 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.824 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 27.3 mtt-85 -67.28 -25.83 66.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.985 0.421 . . . . 0.0 110.984 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -81.21 -42.12 21.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.204 0.526 . . . . 0.0 109.858 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -75.04 -43.37 53.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.301 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 73.0 m -144.61 81.17 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.563 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.52 109.54 0.76 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.109 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.893 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 33.4 tt0 -81.22 144.1 31.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.79 -47.35 82.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.22 96.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.927 0.394 . . . . 0.0 111.514 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.893 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 85.7 mm-40 -65.72 -48.25 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.578 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.64 -38.53 85.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.042 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -60.24 -42.85 96.13 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.09 -33.22 73.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.8 -44.15 70.63 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.89 -45.98 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.467 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.78 68.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.976 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -67.82 -48.65 65.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -69.52 -43.94 72.02 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.588 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -55.05 -43.61 73.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 123.55 0.531 . . . . 0.0 111.314 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . -58.02 -53.24 60.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.721 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.808 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 58.8 mt-10 -63.95 -49.75 71.35 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.184 179.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -51.4 -46.48 62.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.926 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 42.9 t80 -55.88 -44.56 78.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 83.2 mt-30 -70.2 -42.78 71.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 26.9 mt -58.55 -52.55 65.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.326 -179.192 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -60.5 -41.74 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' TYR . 85.7 mt-30 -64.83 -42.89 94.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 0.0 110.308 179.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 8.5 tp10 -64.34 -44.93 89.97 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.799 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -57.66 -46.81 86.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.181 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.67 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.223 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -55.72 31.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.377 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' B' ' 26' ' ' LEU . 78.5 mt -58.42 -48.43 80.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -60.23 -42.52 95.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.305 0.574 . . . . 0.0 111.469 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -69.17 -31.24 69.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.054 -178.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -90.69 -28.53 18.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.821 0.343 . . . . 0.0 111.501 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.8 t -84.5 -32.91 23.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.362 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.29 47.21 0.64 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.09 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 122.84 -0.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.9 pt-20 -85.08 173.87 10.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.469 0.176 . . . . 0.0 111.231 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.91 -54.08 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -60.98 -36.28 79.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.708 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.427 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -66.84 -47.13 72.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.215 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.523 ' O ' HG23 ' B' ' 9' ' ' VAL . 95.6 mt -69.25 -37.05 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.079 -178.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.36 -38.57 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.71 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -72.9 -31.94 65.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -65.34 -42.2 93.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 177.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' B' ' 13' ' ' LYS . 70.7 t -58.94 -53.67 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.732 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -58.65 -41.75 86.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.0 96.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 0.0 110.38 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.499 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 33.9 mt -67.08 -51.93 48.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.379 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.576 ' HE3' HG13 ' B' ' 9' ' ' VAL . 16.7 mmtp -57.12 -39.33 74.9 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 110.594 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.96 79.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.064 0.459 . . . . 0.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -76.26 -44.48 37.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.713 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -58.31 -47.35 83.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -59.13 -46.08 89.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.22 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.281 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.47 -39.79 94.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.816 -179.281 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.41 -37.45 80.88 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.69 0.281 . . . . 0.0 111.029 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -28.63 57.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.499 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 6.6 mmtm -68.87 -48.64 62.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 177.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 19' ' ' ALA . 83.1 t -55.03 -48.67 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.736 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.12 -40.78 96.94 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.252 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.723 ' HA ' ' CD2' ' B' ' 28' ' ' HIS . . . -65.05 -46.95 79.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' A' ' 26' ' ' LEU . 87.2 mt -63.32 -29.75 71.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.719 178.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -47.18 78.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.785 178.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . 0.723 ' CD2' ' HA ' ' B' ' 25' ' ' ALA . 4.2 m-70 -68.59 -53.88 20.04 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-O 121.772 0.796 . . . . 0.0 109.632 178.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -44.33 -33.56 1.67 Allowed 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 112.763 -2.017 . . . . 0.0 111.374 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 m -155.45 -70.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.41 -68.66 2.38 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.236 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.568 0 O-C-N 122.749 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.73 150.58 42.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.3 t -54.47 -47.14 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.603 0.24 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.24 77.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 111.144 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -61.21 -49.82 75.61 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.155 179.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 89.6 mt -63.63 -37.77 88.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.714 -179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.23 -41.15 96.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.411 178.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.12 -31.47 70.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.375 0.607 . . . . 0.0 110.154 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -74.45 -44.94 49.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.217 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.37 -44.04 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -28.57 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.836 178.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -65.96 -51.88 54.61 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.072 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -66.61 -43.6 84.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.371 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -39.18 76.93 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.308 0.38 . . . . 0.0 111.702 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.31 -50.24 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.362 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.736 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 52.8 mt-10 -62.55 -52.15 64.55 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.34 -46.92 47.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.235 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -56.16 -40.48 73.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.121 179.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -83.28 -28.75 28.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.804 -179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 34.7 mt -66.57 -52.66 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.47 -37.44 83.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.254 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -65.65 -44.05 87.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.892 179.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.28 -44.5 83.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 HD11 ' B' ' 26' ' ' LEU . 44.3 t -57.81 -46.1 87.16 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.234 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.71 82.67 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.0 tt0 -58.03 -50.95 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.691 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 79.5 mt -64.83 -46.06 83.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.219 -179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -59.89 -38.95 83.71 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.206 0.527 . . . . 0.0 110.114 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -68.48 -37.79 80.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.972 179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 66.5 mm-40 -68.32 -38.04 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.312 0.577 . . . . 0.0 109.709 178.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 m -68.31 -31.36 70.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.601 179.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.86 -28.33 65.08 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.162 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 122.577 -0.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' B' ' 4' ' ' ALA . 2.1 pm0 -80.62 167.94 19.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.486 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.9 t -52.16 -56.69 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.123 179.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.58 -28.84 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.049 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' B' ' 1' ' ' GLU . . . -68.67 -45.56 71.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.13 0.49 . . . . 0.0 110.532 179.267 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 9' ' ' VAL . 89.7 mt -72.35 -34.98 68.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.727 -179.452 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 62.3 mtpt -58.25 -46.16 86.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.104 179.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.94 -32.0 72.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.011 178.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.06 -42.29 94.35 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.582 ' O ' ' HD3' ' B' ' 13' ' ' LYS . 56.1 t -60.5 -51.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.595 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.54 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.583 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.27 81.49 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.572 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 43.0 mt -63.27 -53.04 59.12 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.716 179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' B' ' 9' ' ' VAL . 2.9 mptp? -56.33 -36.83 69.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.317 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.66 88.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.176 0.512 . . . . 0.0 110.279 179.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -71.93 -42.65 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.563 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m120 -59.93 -47.24 86.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.369 179.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -55.34 -45.92 76.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.453 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -46.92 66.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.68 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.451 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -62.79 -36.48 83.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.952 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.45 -38.94 82.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.705 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 27.1 mmmt -62.95 -51.65 66.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.498 178.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 19' ' ' ALA . 87.0 t -54.21 -49.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.35 -36.44 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -43.97 63.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.103 0.478 . . . . 0.0 110.624 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 85.4 mt -66.29 -42.71 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.712 179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 26' ' ' LEU . 37.8 mtt180 -66.07 -21.76 66.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.308 0.575 . . . . 0.0 110.841 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -78.82 -32.84 46.41 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.317 0.579 . . . . 0.0 110.169 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -89.02 -42.95 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.62 -179.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -135.27 56.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.485 -178.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.2 30.82 0.27 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.593 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 122.714 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.487 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 14.4 tp10 -71.54 159.41 34.5 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 123.158 0.286 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 t -53.13 -53.38 22.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.45 -44.77 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 111.05 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.487 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 99.4 mm-40 -58.65 -48.77 79.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.682 179.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 97.2 mt -61.68 -42.85 99.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -58.22 -41.2 83.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.006 0.431 . . . . 0.0 110.516 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -36.29 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.123 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.64 -39.86 80.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.699 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' LEU . 54.0 t -62.4 -47.24 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.19 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.874 178.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -69.82 -52.0 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.558 0.694 . . . . 0.0 109.323 179.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' B' ' 12' ' ' LEU . . . -63.91 -41.8 97.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.41 -40.86 88.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.22 83.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.287 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.704 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 14.1 mt-10 -63.11 -51.12 67.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.25 178.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -51.48 -46.36 63.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.936 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.59 -41.52 81.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.993 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -75.53 -36.68 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 35.5 mt -60.72 -48.54 81.32 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.71 -43.64 88.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.92 0.391 . . . . 0.0 110.381 178.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 23.5 tp10 -64.56 -46.74 81.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.745 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG13 HD11 ' B' ' 26' ' ' LEU . 40.6 t -60.44 -48.17 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.665 179.202 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -44.34 89.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.779 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -63.14 -47.0 84.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.302 179.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' B' ' 26' ' ' LEU . 81.3 mt -63.09 -47.14 84.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -58.34 -41.43 84.64 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.513 0.673 . . . . 0.0 110.43 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.037 -179.092 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -79.51 -31.75 42.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.22 -43.06 68.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.043 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.42 73.77 2.46 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.331 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 122.705 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.59 ' HG2' ' H ' ' B' ' 4' ' ' ALA . 11.3 pm0 -82.09 164.8 21.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.87 0.366 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 41.8 t -57.67 -48.88 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.185 179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' B' ' 7' ' ' LYS . 47.2 tt0 -59.01 -39.84 83.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.888 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.59 ' H ' ' HG2' ' B' ' 1' ' ' GLU . . . -56.84 -49.06 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.995 179.522 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 96.0 mt -69.15 -33.21 73.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.652 -179.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 57.9 mtpt -64.19 -40.26 95.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.949 179.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 3' ' ' GLN . 23.7 mmmt -67.6 -35.93 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -64.02 -45.89 86.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.526 178.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 5' ' ' LEU . 76.3 t -60.57 -47.48 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.108 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.24 -40.16 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.368 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.37 -48.38 75.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 0.0 110.1 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 53.7 mt -62.55 -53.16 58.76 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 179.294 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -56.09 -36.82 68.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.954 -0.112 . . . . 0.0 110.766 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.43 91.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.218 0.532 . . . . 0.0 109.98 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -67.07 -44.58 79.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 109.264 178.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.66 -41.28 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.476 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.43 ' HD1' ' NE2' ' B' ' 21' ' ' GLN . 2.6 t80 -61.12 -45.91 92.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.406 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.568 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -72.33 -41.27 66.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.574 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -57.92 -49.3 77.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.53 0.205 . . . . 0.0 111.493 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.43 ' NE2' ' HD1' ' B' ' 17' ' ' TYR . 12.7 pt20 -65.46 -29.23 69.88 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.486 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -67.39 -43.44 81.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.815 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 19' ' ' ALA . 89.5 t -59.33 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.068 178.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -61.95 -37.15 83.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.68 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 96.2 mt -65.33 -36.98 85.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.589 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HD2' HD11 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.27 -37.67 87.91 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.459 0.647 . . . . 0.0 109.475 178.308 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -70.36 -44.89 67.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.447 179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.029 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.72 -63.94 0.69 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.582 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 82.85 -65.51 4.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.825 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.608 0 O-C-N 122.73 -0.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.891 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 44.7 tt0 -91.34 144.27 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.451 0.167 . . . . 0.0 110.592 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.47 -43.8 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.528 ' H ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.89 -43.26 90.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 94.7 mm-40 -59.93 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.495 0.664 . . . . 0.0 110.001 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 5' ' ' LEU . 93.9 mt -63.92 -38.4 90.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.703 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -58.85 -40.62 84.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.222 178.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 3' ' ' ALA . 93.3 mttt -69.05 -36.34 77.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.94 179.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.46 -40.82 70.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.475 179.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' LEU . 69.5 t -65.41 -46.52 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.11 -24.61 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.485 178.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -70.93 -52.66 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 109.45 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -67.18 -45.1 77.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.789 -179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG2' HD21 ' B' ' 12' ' ' LEU . 19.3 mt-10 -57.54 -40.27 78.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -52.25 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.696 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 3.0 tt0 -57.15 -50.06 73.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.244 0.545 . . . . 0.0 109.887 178.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.43 HD21 ' HG2' ' B' ' 15' ' ' ARG . 24.0 t-20 -51.2 -50.22 59.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.417 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.58 -36.58 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.448 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.71 -34.04 69.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.792 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 29.1 mt -64.54 -53.08 53.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.562 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -63.15 -27.78 69.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.63 0.252 . . . . 0.0 110.545 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.36 -41.04 70.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 20.8 tp10 -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.876 HG13 HD11 ' B' ' 26' ' ' LEU . 53.4 t -59.11 -49.84 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.165 178.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.79 95.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.854 179.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -59.76 -51.57 69.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.584 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 73.6 mt -60.0 -47.45 85.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.39 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.05 -44.07 97.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 110.772 179.474 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -62.11 -46.01 90.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.111 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -71.4 -28.38 63.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.45 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 30' ' ' CYS . 41.5 t -76.69 -50.49 13.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.304 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.96 54.82 0.1 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.115 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 122.758 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.453 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 -86.77 163.5 17.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.812 0.339 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 55.2 t -55.0 -52.73 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.5 -32.94 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.592 179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.453 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -63.7 -47.39 81.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.017 179.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 82.8 mt -70.13 -36.64 74.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.371 -179.414 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 50.2 mtpt -59.91 -43.04 95.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.534 ' HA ' ' HE2' ' B' ' 7' ' ' LYS . 0.2 OUTLIER -67.2 -29.53 69.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.963 178.372 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 20.9 tpt180 -68.15 -47.43 68.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 5' ' ' LEU . 77.7 t -59.15 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.86 178.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.36 -42.43 86.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.87 -44.12 81.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.456 179.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 12' ' ' ALA . 36.7 mt -62.2 -54.59 38.71 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.314 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.09 -36.91 68.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.508 0.194 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.12 93.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.974 0.416 . . . . 0.0 110.272 178.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.43 ' HG2' HD21 ' A' ' 16' ' ' ASN . 18.1 tpt180 -73.15 -40.08 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.663 178.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 15' ' ' GLU . 3.3 m120 -59.95 -48.96 79.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.153 179.367 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' B' ' 21' ' ' GLN . 0.7 OUTLIER -58.94 -43.39 91.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.048 179.289 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -47.58 72.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.503 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -60.38 -33.93 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.157 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 16' ' ' ASN . 98.5 mttt -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 73.5 mm-40 -74.41 -33.25 62.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.638 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 1.9 mmmm -62.07 -45.42 93.59 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.694 177.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 19' ' ' ALA . 59.5 t -55.75 -50.91 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.171 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.98 -41.06 97.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.49 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.73 89.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.907 -179.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.876 HD11 HG13 ' A' ' 23' ' ' VAL . 85.4 mt -67.35 -40.72 85.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.477 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 28.9 mtt-85 -67.37 -25.68 66.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.239 0.543 . . . . 0.0 109.865 178.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -75.84 -43.09 47.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.321 -0.854 . . . . 0.0 108.989 178.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.26 -49.25 76.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.969 179.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 54.8 m -136.33 -81.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.729 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 113.76 -97.41 0.85 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.504 -179.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 122.71 -0.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.65 ' HB3' ' HG2' ' A' ' 4' ' ' GLN . 6.2 tp10 -70.24 154.49 41.85 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.295 0.372 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -54.59 -49.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.064 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.11 80.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.311 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.65 ' HG2' ' HB3' ' A' ' 1' ' ' GLU . 12.2 mm100 -65.82 -44.09 86.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.395 0.617 . . . . 0.0 109.877 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD11 HG13 ' B' ' 2' ' ' VAL . 73.0 mt -66.87 -36.14 81.65 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.235 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -64.29 -41.7 96.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.566 178.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -71.34 -22.16 61.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.092 0.473 . . . . 0.0 109.857 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -80.24 -42.72 22.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD11 ' B' ' 12' ' ' LEU . 54.7 t -62.89 -45.1 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -28.63 69.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.611 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 11' ' ' GLN . 3.5 tp-100 -69.79 -51.01 37.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.056 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB3' HD13 ' B' ' 12' ' ' LEU . . . -62.53 -41.75 99.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.218 179.198 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.91 -37.41 82.15 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.499 0.5 . . . . 0.0 111.269 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.1 85.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.279 0.562 . . . . 0.0 110.233 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 19.5 tp10 -68.35 -48.78 63.93 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.423 HD21 ' HG2' ' B' ' 15' ' ' ARG . 19.6 t-20 -53.39 -45.78 69.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.396 178.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.2 -43.58 78.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.491 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -71.07 -30.96 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.941 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 41.7 mt -68.62 -51.03 46.68 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.56 -37.11 80.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.237 179.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -65.47 -43.6 89.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.523 179.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.9 tp10 -66.67 -47.64 71.86 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.949 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 HD11 ' B' ' 26' ' ' LEU . 43.0 t -57.27 -46.8 85.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.681 179.581 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.18 85.05 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.229 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -65.26 -53.17 48.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.76 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' GLU . 64.2 mt -56.86 -46.75 81.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.353 -179.591 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.47 -41.55 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.371 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.18 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -73.79 -25.58 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.361 0.6 . . . . 0.0 110.295 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' B' ' 30' ' ' CYS . 52.6 t -81.1 -29.06 34.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.298 179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.9 63.73 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.933 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 122.882 -0.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.476 ' HG3' ' H ' ' B' ' 4' ' ' ALA . 7.7 pt-20 -90.83 173.01 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.419 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.493 HG13 HD11 ' A' ' 5' ' ' LEU . 51.2 t -56.31 -54.19 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.219 179.33 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -60.11 -32.6 71.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 178.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.476 ' H ' ' HG3' ' B' ' 1' ' ' GLU . . . -65.98 -44.23 85.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 9' ' ' VAL . 98.6 mt -74.61 -34.59 62.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.717 -179.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.58 0.229 . . . . 0.0 110.516 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.82 -31.69 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' B' ' 5' ' ' LEU . 22.8 tpt180 -65.41 -44.98 85.73 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 5' ' ' LEU . 86.6 t -61.06 -47.8 91.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.179 178.662 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -62.25 -36.79 83.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.67 80.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.045 0.45 . . . . 0.0 110.103 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 12' ' ' ALA . 25.1 mt -62.33 -48.69 78.73 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.338 179.22 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.24 -38.92 77.84 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.0 0.188 . . . . 0.0 111.397 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.53 82.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.26 0.552 . . . . 0.0 109.74 179.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.423 ' HG2' HD21 ' A' ' 16' ' ' ASN . 9.5 tpt180 -67.49 -39.51 85.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.489 179.02 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.55 -42.19 95.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.529 179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.57 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' B' ' 21' ' ' GLN . . . -68.86 -34.78 76.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.994 179.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.573 ' O ' HG23 ' B' ' 23' ' ' VAL . . . -69.74 -39.99 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -61.65 -47.17 86.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.315 . . . . 0.0 110.872 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' B' ' 18' ' ' ALA . 1.5 pt20 -68.39 -27.7 66.45 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' B' ' 26' ' ' LEU . 14.2 mttp -65.5 -46.77 78.39 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.009 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 19' ' ' ALA . 70.4 t -54.42 -50.51 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.158 178.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.08 -41.99 98.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.262 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.54 71.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.461 HD11 HG13 ' A' ' 23' ' ' VAL . 88.9 mt -62.08 -40.88 97.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.76 ' HA ' ' HA2' ' B' ' 31' ' ' GLY . 12.0 ttt180 -65.89 -38.58 89.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.74 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -72.66 -45.01 61.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -69.87 -41.99 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.683 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 88.8 m -136.69 -63.25 0.62 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.903 -179.384 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.76 ' HA2' ' HA ' ' B' ' 27' ' ' ARG . . . 100.29 -147.04 17.94 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.656 -0.783 . . . . 0.0 111.36 -179.166 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.602 0 O-C-N 122.706 -0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_