data_6um9_residue ############################ # Computer software used # ############################ 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 6um9 _Structure_validation_residue.Date_analyzed 2020-09-25 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 ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 CA--C 1.512 -0.623 0 N-CA-C 113.992 0.728 . . . . 72.44 113.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.2 ttm -79.98 -41.52 25.76 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 118.83 0.741 . . . . 74.42 111.222 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -69.79 -33.13 71.95 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.163 0.985 . . . . 73.44 111.211 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.38 96.97 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.55 1.14 . . . . 73.31 112.151 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 t -60.15 -46.36 89.95 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 108.591 -0.892 . . . . 60.51 108.591 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.6 -42.79 93.39 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.03 -1.669 . . . . 73.5 112.517 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.92 -38.0 54.29 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.369 1.248 . . . . 75.24 114.369 175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.91 -39.16 80.67 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.67 1.988 . . . . 71.14 110.887 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 16.8 mt -85.21 -11.48 54.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.403 -0.817 . . . . 71.25 109.894 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.52 47.05 14.02 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.848 2.059 . . . . 75.32 112.907 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.38 157.0 50.41 Favored Pre-proline 0 C--N 1.347 0.493 0 C-N-CA 124.337 1.055 . . . . 64.31 109.171 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.33 166.66 28.36 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.455 2.104 . . . . 72.25 113.574 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -64.33 -24.51 67.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 128.296 2.638 . . . . 75.41 110.19 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.47 70.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 126.256 1.822 . . . . 72.42 113.613 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 m -102.1 -21.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 O-C-N 120.325 -1.485 . . . . 74.14 112.201 -171.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -69.08 -32.29 71.63 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.307 -1.496 . . . . 72.3 110.75 167.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -75.72 -17.94 59.76 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.611 -1.305 . . . . 74.43 112.612 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.11 -39.8 87.43 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.006 -1.059 . . . . 73.1 112.727 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -59.74 -40.46 88.16 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 126.502 1.921 . . . . 73.51 115.285 167.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -62.59 -43.9 97.65 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 120.183 -1.573 . . . . 73.33 113.542 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.98 -29.49 70.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.652 1.981 . . . . 72.01 114.545 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--N 1.344 0.355 0 C-N-CA 128.017 2.527 . . . . 75.52 112.727 179.412 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 121.019 0.438 . . . . 72.11 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -85.59 131.49 34.35 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.882 0.873 . . . . 75.33 111.806 -163.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.84 -32.58 70.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.06 1.744 . . . . 74.0 113.354 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.64 -31.35 72.19 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.874 1.805 . . . . 75.14 115.874 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.61 89.05 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.738 0.699 . . . . 75.11 111.11 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.05 96.28 Favored Glycine 0 CA--C 1.487 -1.69 0 O-C-N 120.5 -1.375 . . . . 64.51 112.839 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.49 -41.56 98.54 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.112 0.965 . . . . 73.4 111.021 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.3 -40.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.225 -0.922 . . . . 74.43 112.178 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.78 -45.79 97.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 O-C-N 119.787 -1.821 . . . . 73.34 112.526 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.22 -29.1 67.86 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.999 1.481 . . . . 72.33 114.999 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' HD21 ' A' ' 23' ' ' LEU . 44.3 t -63.0 -42.47 99.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.583 2.353 . . . . 52.11 113.326 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.39 -37.56 81.2 Favored 'General case' 0 C--N 1.368 1.372 0 CA-C-N 120.366 1.439 . . . . 73.12 113.762 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.3 -37.29 69.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.332 1.605 . . . . 73.31 115.332 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -40.02 73.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 122.211 1.005 . . . . 75.54 112.857 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.92 38.48 1.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.255 1.822 . . . . 73.24 112.303 -168.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 62' ' ' LEU . 88.5 mt -85.97 -16.89 36.9 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 123.649 1.69 . . . . 64.03 109.501 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -61.15 -34.03 74.36 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 128.183 2.593 . . . . 75.12 110.024 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -28.27 67.32 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 129.13 2.972 . . . . 65.13 111.901 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.522 HD12 HD21 ' A' ' 59' ' ' LEU . 72.5 mt -69.45 159.85 32.49 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.873 2.069 . . . . 73.5 111.582 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -74.94 139.56 43.11 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.726 -1.234 . . . . 72.02 109.141 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.59 -27.32 67.64 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.983 1.105 . . . . 75.13 113.983 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -58.59 -34.22 70.84 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.692 -1.255 . . . . 73.44 113.699 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ptp -80.31 -11.19 59.74 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.795 -1.191 . . . . 70.14 112.395 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.54 23.33 11.8 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.204 3.002 . . . . 74.41 115.62 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -81.74 123.62 28.91 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 119.715 -1.866 . . . . 72.02 111.414 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -141.29 152.65 44.66 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.816 -1.179 . . . . 72.3 107.816 166.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -67.81 129.54 40.22 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.571 1.177 . . . . 73.54 113.503 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.65 -8.81 79.23 Favored Glycine 0 C--N 1.347 1.165 0 C-N-CA 124.545 1.069 . . . . 53.12 114.757 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -102.54 22.38 13.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.038 -1.272 . . . . 73.45 111.441 -170.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.15 81.84 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 114.533 1.309 . . . . 73.32 114.533 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.0 mtt -61.36 -40.51 94.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.436 1.016 . . . . 75.25 112.305 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -73.2 -44.61 59.46 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.575 0.75 . . . . 74.25 112.724 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.07 -47.5 85.61 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 126.656 1.983 . . . . 75.33 113.331 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.89 93.52 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 121.044 -1.035 . . . . 75.31 113.074 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.0 mtp -63.49 -36.84 85.09 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.693 1.197 . . . . 75.43 113.63 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.37 -27.74 68.73 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.865 -1.147 . . . . 73.12 112.485 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -94.23 13.59 22.89 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.738 1.615 . . . . 74.24 114.556 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.05 0.89 63.33 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.969 -1.082 . . . . 31.44 114.284 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 142.33 57.28 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 118.394 1.097 . . . . 63.24 111.329 163.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.05 169.38 16.77 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.391 -2.068 . . . . 74.31 107.803 168.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.78 -34.31 78.03 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.568 -1.333 . . . . 70.12 112.798 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.69 90.09 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.628 1.971 . . . . 63.41 112.346 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.98 -35.76 66.94 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 121.123 -0.986 . . . . 64.15 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.65 85.0 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.897 0.879 . . . . 74.43 112.909 175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.26 -28.23 66.14 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.776 -1.203 . . . . 74.31 112.394 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -42.43 97.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 115.014 1.487 . . . . 75.22 115.014 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.2 mt -63.43 -41.24 98.67 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 121.748 2.067 . . . . 73.43 112.644 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.07 -40.87 97.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.354 -0.841 . . . . 73.14 111.766 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.75 -42.59 97.81 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.573 -1.329 . . . . 75.21 112.328 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -44.75 93.16 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 C-N-CA 124.363 1.065 . . . . 62.31 110.406 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -58.47 -56.79 17.56 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 121.777 -0.577 . . . . 73.24 111.935 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -68.58 -29.35 67.87 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 121.27 -0.894 . . . . 74.54 110.824 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 t -66.74 -40.21 88.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-O 122.518 1.151 . . . . 74.31 113.336 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.452 ' HA ' HG23 ' A' ' 100' ' ' VAL . 18.5 m -68.32 -34.91 76.98 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.569 1.548 . . . . 71.01 114.452 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.26 -32.2 70.93 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.342 1.057 . . . . 72.15 111.347 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -83.66 -19.63 35.01 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.328 0.651 . . . . 70.25 111.797 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.2 m -100.48 -30.61 3.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.151 0 O-C-N 121.505 -0.747 . . . . 74.0 111.193 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.79 155.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 N-CA-C 114.64 1.348 . . . . 74.44 114.64 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.1 m -66.8 126.84 30.29 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.95 -1.094 . . . . 42.03 112.34 164.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.63 132.78 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.641 0 C-N-CA 129.239 3.016 . . . . 73.13 103.675 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 t -114.41 128.69 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 N-CA-C 105.796 -1.928 . . . . 72.12 105.796 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.59 91.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.702 1.371 . . . . 75.42 114.702 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.14 -37.76 88.46 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.409 1.484 . . . . 73.53 114.593 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -127.5 92.93 41.9 Favored Pre-proline 0 C--N 1.348 0.52 0 CA-C-O 118.332 -0.842 . . . . 75.21 108.886 -162.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.12 -14.12 37.54 Favored 'Trans proline' 0 C--N 1.33 -0.404 0 C-N-CA 122.649 2.233 . . . . 74.52 112.609 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.55 -42.7 70.81 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.786 1.234 . . . . 62.33 110.575 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.4 ' CA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -62.05 -44.88 95.74 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 121.272 -0.892 . . . . 71.22 111.09 173.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.9 m -55.99 -46.29 78.73 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.72 0.267 . . . . 62.41 111.72 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.32 -48.75 69.31 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.743 -1.223 . . . . 73.52 113.929 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -44.66 82.63 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.388 1.475 . . . . 75.24 112.102 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.74 -42.01 99.46 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 123.73 0.812 . . . . 73.45 109.858 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.05 -47.23 83.88 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.569 -0.707 . . . . 74.53 112.422 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.77 97.55 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.605 1.162 . . . . 73.53 110.771 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -71.73 -29.61 64.71 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-O 119.205 -0.426 . . . . 73.24 110.51 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.78 -46.13 69.53 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 119.943 1.247 . . . . 61.0 113.365 167.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -54.49 -48.05 72.31 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.06 1.504 . . . . 73.42 115.06 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 123' ' ' ILE . 11.1 mmmm -63.49 -29.32 70.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.754 -0.591 . . . . 71.03 112.367 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.12 97.94 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.658 1.218 . . . . 73.13 111.78 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.95 -46.17 68.86 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.113 1.153 . . . . 71.04 114.113 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 120' ' ' LYS . 23.5 pt -67.01 -22.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 119.117 -2.239 . . . . 71.5 114.719 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.97 -39.98 94.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.452 1.101 . . . . 64.54 111.371 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -70.63 -28.81 65.11 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.139 0.975 . . . . 75.31 113.369 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.42 152.89 44.77 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 126.947 2.099 . . . . 73.12 115.275 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.34 0.09 53.16 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.848 1.259 . . . . 71.13 111.872 -176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -130.81 155.26 47.0 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.206 -1.405 . . . . 73.3 107.206 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.78 119.54 41.0 Favored Pre-proline 0 N--CA 1.443 -0.779 0 CA-C-O 118.49 -0.767 . . . . 71.31 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.77 152.15 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.513 2.142 . . . . 73.45 109.345 156.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.0 p -89.8 169.76 10.99 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 107.039 -1.467 . . . . 71.45 107.039 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.41 -24.12 67.7 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.355 -1.466 . . . . 73.25 113.478 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 119.922 -1.736 . . . . 74.22 112.381 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.94 -43.03 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 C-N-CA 126.099 1.76 . . . . 73.13 113.553 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.64 81.02 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.539 1.063 . . . . 73.2 112.581 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -35.91 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 121.504 -0.748 . . . . 75.24 110.047 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.19 99.71 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-O 119.018 -0.879 . . . . 72.25 114.022 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.12 -37.4 87.32 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.517 1.658 . . . . 74.12 113.661 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.04 -51.33 68.41 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 113.655 0.983 . . . . 74.35 113.655 171.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 56' ' ' ALA . 37.4 mt -69.39 -40.64 77.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.498 -1.228 . . . . 73.4 111.829 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.72 94.57 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.183 -1.573 . . . . 71.51 113.554 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -96.7 32.82 1.97 Allowed 'General case' 0 C--N 1.352 0.675 0 O-C-N 121.304 -0.872 . . . . 72.01 111.374 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.261 1.681 0 O-C-N 120.006 -1.684 . . . . 74.22 114.414 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 CA-C-O 118.002 -0.916 . . . . 70.24 113.434 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 ttm -68.55 -44.24 74.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.255 1.389 . . . . 74.53 111.76 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.24 -33.99 72.31 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.13 0.972 . . . . 71.52 111.618 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.87 86.0 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.879 0.872 . . . . 65.42 111.773 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -71.68 -1.76 14.91 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 125.207 1.403 . . . . 73.11 114.561 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 -48.25 7.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 119.811 -1.806 . . . . 74.44 110.01 165.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.61 -35.22 30.33 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.636 -1.915 . . . . 75.24 114.593 -173.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.53 -38.16 77.18 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 128.325 2.65 . . . . 75.11 110.49 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.47 -9.19 51.0 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.224 -1.353 . . . . 64.51 109.187 -173.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.5 46.01 15.6 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.651 1.98 . . . . 73.34 112.924 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.82 159.11 41.96 Favored Pre-proline 0 C--N 1.351 0.654 0 C-N-CA 124.728 1.211 . . . . 73.44 110.078 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.7 166.41 29.4 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.635 2.223 . . . . 72.51 114.214 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.66 -29.61 70.82 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 129.003 2.921 . . . . 75.24 109.628 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.73 73.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 126.887 2.075 . . . . 64.04 114.386 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 m -97.41 -23.38 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 O-C-N 119.958 -1.714 . . . . 71.53 111.973 -172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -31.35 70.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.201 -1.562 . . . . 73.13 110.621 171.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.69 -17.06 59.34 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 121.093 -1.004 . . . . 72.43 112.35 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.66 -37.68 79.39 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 121.321 -0.862 . . . . 53.41 112.925 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -59.59 -40.72 88.36 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 125.276 1.43 . . . . 74.05 114.55 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.73 -41.22 88.26 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 119.731 -1.856 . . . . 65.5 113.655 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.15 -24.52 67.42 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.805 2.042 . . . . 71.5 114.162 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--N 1.348 0.54 0 C-N-CA 127.451 2.3 . . . . 74.35 112.409 179.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 120.738 0.304 . . . . 74.51 111.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -85.39 129.92 34.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.31 -0.869 . . . . 55.21 111.288 -165.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -59.98 -31.4 69.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 126.394 1.877 . . . . 64.45 114.443 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -62.2 -29.72 70.58 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 115.055 1.502 . . . . 72.45 115.055 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.49 91.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.481 0.582 . . . . 74.53 111.401 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -37.98 94.29 Favored Glycine 0 CA--C 1.489 -1.563 0 O-C-N 120.062 -1.649 . . . . 43.35 113.083 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.4 m -63.55 -41.0 98.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.448 1.099 . . . . 73.32 111.044 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.65 -42.68 86.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 121.338 -0.851 . . . . 73.4 111.594 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.86 -46.35 93.9 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 120.961 -1.087 . . . . 72.23 112.561 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.31 -28.32 67.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.38 1.252 . . . . 65.12 114.38 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.8 t -62.75 -43.06 99.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.212 1.405 . . . . 71.24 112.326 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.8 -35.68 77.08 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 121.144 1.793 . . . . 72.14 113.326 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.66 -39.09 70.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 115.863 1.801 . . . . 74.21 115.863 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -70.22 -41.79 73.13 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 122.571 1.177 . . . . 74.04 111.57 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.6 mttm -92.07 49.47 1.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.28 1.432 . . . . 75.53 113.072 -169.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD21 HD12 ' A' ' 62' ' ' LEU . 86.1 mt -93.26 -17.73 23.3 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.593 1.664 . . . . 72.32 109.699 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -31.74 72.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 127.283 2.233 . . . . 75.43 109.743 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.434 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -68.21 -28.06 66.92 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.727 3.211 . . . . 75.22 111.8 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 59' ' ' LEU . 75.1 mt -69.74 158.29 35.7 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 126.991 2.117 . . . . 73.0 112.524 -173.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.97 130.25 40.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.212 -0.904 . . . . 75.54 111.102 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.77 -26.98 67.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 125.192 1.397 . . . . 72.43 114.016 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.02 -32.43 66.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 125.65 1.58 . . . . 71.31 114.212 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 ptp -82.16 -11.46 58.71 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.136 1.334 . . . . 75.33 111.728 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 63.94 28.01 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 128.898 2.879 . . . . 72.44 115.37 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -80.5 123.14 27.83 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 119.736 -1.853 . . . . 75.32 110.038 178.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -141.02 150.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 106.767 -1.568 . . . . 72.54 106.767 163.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.52 133.52 51.42 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.903 1.281 . . . . 72.34 111.836 -173.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.94 -12.68 63.21 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 123.641 0.639 . . . . 62.31 114.212 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -102.87 22.92 12.97 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.625 1.57 . . . . 75.43 110.407 -169.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.35 81.37 Favored 'General case' 0 CA--C 1.49 -1.361 0 C-N-CA 125.503 1.521 . . . . 73.12 114.045 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.3 mtp -61.16 -40.58 94.41 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 119.343 0.974 . . . . 71.41 112.516 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -70.95 -44.77 65.39 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.214 0.82 . . . . 71.4 113.214 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.51 -47.64 85.26 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.98 2.112 . . . . 75.01 113.143 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.58 91.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.138 0.975 . . . . 72.33 112.97 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.47 -35.67 81.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.807 1.243 . . . . 73.0 114.021 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -28.45 69.48 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 120.745 -1.222 . . . . 74.23 112.108 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.7 15.31 20.41 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.247 1.819 . . . . 75.4 114.418 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.42 -2.72 63.14 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 121.218 -0.926 . . . . 74.52 113.885 165.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.57 58.42 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 118.294 1.047 . . . . 75.23 111.929 165.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -81.33 170.44 16.01 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.342 -2.099 . . . . 70.31 108.628 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -65.01 -34.88 79.5 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.563 -1.336 . . . . 73.15 112.694 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.06 83.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.479 1.912 . . . . 75.42 112.335 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.6 -38.9 84.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.943 1.297 . . . . 74.14 112.267 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.618 0.97 . . . . 64.33 113.618 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -68.34 -29.54 68.3 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.585 -1.322 . . . . 74.4 111.767 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -60.6 -42.97 97.85 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.267 1.58 . . . . 75.15 115.267 170.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.46 -42.24 98.61 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.888 2.131 . . . . 73.33 112.022 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.71 -39.93 95.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.017 -1.052 . . . . 74.41 112.118 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.708 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 95.4 m-20 -67.02 -41.07 87.26 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 116.793 2.146 . . . . 72.12 116.793 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.69 -43.37 87.49 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 CA-C-N 120.016 1.28 . . . . 74.22 109.438 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD2' HD23 ' A' ' 139' ' ' LEU . 54.4 tttt -55.6 -51.64 66.47 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.546 0.572 . . . . 73.01 112.546 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.708 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 26.3 p80 -76.03 -26.17 56.38 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 120.035 -1.666 . . . . 75.31 110.734 -170.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 t -65.49 -40.86 93.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 112.353 -2.203 . . . . 74.4 113.045 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.44 ' HA ' HG23 ' A' ' 100' ' ' VAL . 19.7 m -69.89 -35.79 74.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.885 1.439 . . . . 73.13 114.885 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.63 -28.91 68.91 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.393 1.477 . . . . 75.33 112.888 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -85.3 -19.34 31.68 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.677 0.791 . . . . 73.51 112.001 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -102.58 -31.7 3.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 O-C-N 121.33 -0.856 . . . . 75.5 111.386 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -70.6 154.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.351 1.241 . . . . 74.14 114.351 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.6 m -66.42 126.01 27.48 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.79 -1.193 . . . . 65.14 112.146 164.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.26 132.28 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.663 0 C-N-CA 128.845 2.858 . . . . 73.43 103.454 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.2 t -112.88 128.41 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 106.269 -1.752 . . . . 75.01 106.269 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.07 90.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.376 1.25 . . . . 75.33 114.376 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.456 1.502 . . . . 72.12 114.452 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.23 91.8 40.87 Favored Pre-proline 0 C--N 1.35 0.599 0 CA-C-O 118.054 -0.974 . . . . 75.52 109.728 -160.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.54 -13.46 40.0 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 122.898 2.399 . . . . 65.13 113.262 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.3 m -68.56 -43.66 76.14 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.272 1.029 . . . . 74.42 110.793 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.25 1.02 . . . . 73.33 110.896 173.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.3 m -56.39 -46.21 80.24 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.515 0.326 . . . . 75.32 111.428 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.8 tpp -65.7 -49.19 69.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.69 -1.256 . . . . 75.12 114.324 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -45.21 82.5 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.093 1.357 . . . . 71.34 112.19 -177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.022 0.929 . . . . 74.3 109.741 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.36 -46.75 85.12 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.27 -0.894 . . . . 74.21 112.506 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.84 99.89 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 125.051 1.34 . . . . 70.1 110.707 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.2 ptm -71.95 -30.35 65.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 119.141 -0.457 . . . . 64.34 110.794 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.7 t -68.75 -47.26 66.71 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.128 1.331 . . . . 73.02 113.566 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -55.81 -47.97 76.23 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 115.3 1.592 . . . . 73.42 115.3 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HA ' HG12 ' A' ' 123' ' ' ILE . 26.6 ttpp -61.73 -32.9 73.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.428 1.091 . . . . 75.14 111.496 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.66 98.29 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 122.339 1.066 . . . . 74.12 112.022 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.96 -45.84 73.08 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.475 1.51 . . . . 71.22 113.876 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 120' ' ' LYS . 16.7 pt -64.78 -23.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.169 -2.207 . . . . 74.23 114.564 173.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.96 -35.66 81.88 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 121.249 -0.907 . . . . 70.53 111.504 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -75.41 -25.17 57.33 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.34 -1.475 . . . . 72.43 112.541 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.91 154.07 42.69 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.446 2.299 . . . . 74.33 115.104 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 0.44 50.19 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.496 1.119 . . . . 63.43 111.688 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -131.31 153.78 49.22 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.297 -1.742 . . . . 73.42 106.297 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.29 118.5 37.6 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-O 118.473 -0.775 . . . . 74.12 111.219 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.92 148.16 63.44 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.412 2.075 . . . . 75.44 109.288 159.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.1 t -81.18 165.71 21.29 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.655 -0.869 . . . . 65.1 108.655 164.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.87 -32.87 73.26 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.784 -1.197 . . . . 74.22 111.394 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.653 0.781 . . . . 60.51 112.294 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.08 -44.76 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.578 1.951 . . . . 74.23 114.442 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.27 82.61 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 113.328 0.862 . . . . 75.25 113.328 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.33 -28.72 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.062 0 O-C-N 120.946 -1.096 . . . . 74.12 108.269 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.93 98.58 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 121.526 -0.734 . . . . 54.24 114.027 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.33 -35.32 80.63 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.829 1.315 . . . . 73.15 113.181 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.413 HD23 ' HD2' ' A' ' 94' ' ' LYS . 48.9 mt -64.0 -54.86 27.69 Favored 'General case' 0 CA--C 1.476 -1.897 0 C-N-CA 124.163 0.985 . . . . 73.12 111.822 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 56' ' ' ALA . 57.6 mt -67.19 -40.07 86.48 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.279 -0.873 . . . . 74.02 112.519 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.39 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.389 -1.444 . . . . 74.53 114.736 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.18 -25.34 42.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.788 -1.195 . . . . 71.23 111.865 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.4 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 24.3 m . . . . . 0 C--O 1.262 1.733 0 N-CA-C 115.613 1.709 . . . . 72.34 115.613 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 CA-C-O 118.503 -0.707 . . . . 74.11 113.211 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -68.5 -43.96 75.74 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 74.23 112.268 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.12 -31.84 66.4 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 121.466 -0.771 . . . . 74.23 112.054 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.9 90.93 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 121.203 -0.936 . . . . 43.12 112.022 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.63 -0.82 14.02 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 125.142 1.377 . . . . 41.01 114.269 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -48.34 7.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 119.977 -1.702 . . . . 73.31 109.674 166.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -79.82 -36.87 36.24 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.952 -1.718 . . . . 72.35 114.544 -174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.24 -37.74 78.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 127.807 2.443 . . . . 74.2 110.368 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 -9.93 49.11 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.14 -1.391 . . . . 73.15 109.189 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 58.17 47.09 14.93 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.807 2.043 . . . . 73.33 113.304 -174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.63 158.52 45.09 Favored Pre-proline 0 C--N 1.347 0.496 0 C-N-CA 124.415 1.086 . . . . 75.23 109.553 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.78 166.27 30.14 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.616 2.211 . . . . 71.14 113.186 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -63.29 -29.99 71.21 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 128.013 2.525 . . . . 74.23 109.597 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.51 70.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 127.227 2.211 . . . . 71.23 113.265 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 m -97.38 -23.34 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 120.235 -1.541 . . . . 73.01 111.844 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.3 ptm -66.61 -33.3 75.36 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.334 -1.479 . . . . 74.2 112.082 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.41 -17.92 59.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.8 -1.188 . . . . 63.1 112.991 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.51 -37.4 78.23 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.162 -0.962 . . . . 72.41 112.958 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' HG12 ' A' ' 52' ' ' ILE . 24.7 t80 -59.56 -41.76 90.9 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.393 1.257 . . . . 75.12 114.393 169.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.26 -40.33 86.22 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 119.775 -1.828 . . . . 71.45 113.632 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -64.52 -23.19 67.19 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.806 2.043 . . . . 73.12 114.304 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.348 0.539 0 C-N-CA 127.081 2.152 . . . . 75.02 112.16 178.5 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.333 0.587 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -87.88 131.32 34.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.786 1.235 . . . . 75.24 111.253 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.9 -32.79 71.07 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.508 1.923 . . . . 75.43 113.592 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.35 -30.48 71.21 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 115.943 1.831 . . . . 71.44 115.943 170.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.28 90.35 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.741 0.7 . . . . 75.44 111.493 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -38.98 96.55 Favored Glycine 0 CA--C 1.488 -1.641 0 O-C-N 120.397 -1.439 . . . . 74.31 113.262 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.24 -40.94 98.87 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.279 1.032 . . . . 64.44 111.189 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.16 -42.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.189 -0.944 . . . . 73.13 111.968 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.9 mt -60.08 -46.05 94.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 O-C-N 120.831 -1.168 . . . . 74.44 112.151 -173.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.88 -28.46 67.53 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.263 1.209 . . . . 72.22 114.263 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.91 -42.7 99.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.626 1.57 . . . . 73.41 112.094 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -37.34 81.42 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 121.021 1.737 . . . . 75.02 113.809 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -55.6 -39.05 70.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 114.738 1.385 . . . . 75.2 114.738 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.95 -37.7 72.82 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.252 1.025 . . . . 73.33 112.927 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.8 mttm -98.04 33.58 2.11 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.84 1.656 . . . . 74.33 112.752 -168.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD21 HD12 ' A' ' 62' ' ' LEU . 95.5 mt -78.28 -29.49 47.95 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-O 123.377 1.561 . . . . 75.15 110.735 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.67 -14.72 54.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.037 1.335 . . . . 65.13 112.992 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -75.59 -27.31 58.48 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.162 1.785 . . . . 74.23 111.328 172.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 HD21 ' A' ' 59' ' ' LEU . 56.3 mt -68.42 159.97 30.56 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.865 2.466 . . . . 75.03 111.443 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -67.89 133.01 48.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.988 -1.07 . . . . 72.34 112.145 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -61.54 -26.64 68.07 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.59 -1.318 . . . . 65.15 113.828 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.71 -34.79 67.81 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.038 1.335 . . . . 73.23 113.464 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.25 -11.12 58.11 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.717 -1.239 . . . . 70.35 112.244 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 61.36 27.82 17.39 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.097 2.559 . . . . 74.01 116.534 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.61 121.55 26.48 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.976 -1.703 . . . . 75.22 111.113 178.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.0 151.26 45.33 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.495 -0.928 . . . . 75.13 108.495 166.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.82 129.43 39.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 122.498 1.142 . . . . 72.42 113.458 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.64 -8.59 76.72 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.344 1.45 . . . . 75.21 115.28 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.8 33.13 4.96 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.964 1.382 . . . . 65.44 110.579 -169.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.0 89.86 Favored 'General case' 0 CA--C 1.495 -1.172 0 O-C-N 120.902 -1.124 . . . . 63.01 113.877 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -60.37 -41.11 93.04 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.442 1.019 . . . . 74.11 113.077 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.72 -44.97 63.2 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 112.699 0.629 . . . . 74.33 112.699 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.69 -48.5 81.53 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.222 1.809 . . . . 74.34 113.306 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.38 97.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 120.991 -1.068 . . . . 72.5 113.094 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.12 -35.2 79.99 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 113.918 1.081 . . . . 72.11 113.918 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.05 -30.45 70.33 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.773 -1.204 . . . . 74.12 112.564 170.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -93.67 14.14 20.0 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.889 1.676 . . . . 75.35 114.64 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.36 -1.51 62.41 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.037 -1.04 . . . . 71.23 114.075 167.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 140.43 57.45 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.414 1.107 . . . . 72.53 111.37 164.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -81.53 170.12 16.28 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.419 -2.051 . . . . 75.44 108.125 169.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.68 -34.37 78.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.595 -1.316 . . . . 75.21 112.77 -173.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.65 83.95 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.457 1.903 . . . . 63.03 112.248 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -71.07 -36.03 72.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 121.213 -0.929 . . . . 63.23 112.458 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.828 0.823 . . . . 62.41 112.867 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.85 -27.61 64.98 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.831 -1.168 . . . . 74.2 112.631 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.62 -42.67 97.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.924 1.453 . . . . 74.35 114.924 169.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.57 -41.11 98.4 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.546 1.976 . . . . 70.34 112.654 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.28 -40.43 95.94 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.312 -0.867 . . . . 73.3 112.101 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.06 -42.36 97.04 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 120.377 -1.452 . . . . 71.54 112.588 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.33 -44.92 93.46 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 124.351 1.06 . . . . 74.14 110.333 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.3 -54.84 42.18 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 121.86 -0.525 . . . . 75.21 111.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -70.99 -25.98 62.94 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.642 -1.286 . . . . 75.12 111.938 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -65.74 -40.63 92.34 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.513 1.149 . . . . 72.54 112.906 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.443 ' HA ' HG23 ' A' ' 100' ' ' VAL . 21.2 m -68.65 -35.57 77.44 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 114.299 1.222 . . . . 74.52 114.299 173.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.36 -29.23 68.77 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.995 1.318 . . . . 74.42 113.095 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -86.61 -18.74 30.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.935 0.494 . . . . 75.23 112.133 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.443 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -101.5 -31.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 121.442 -0.786 . . . . 62.14 111.258 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -70.95 154.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.443 1.275 . . . . 71.34 114.443 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.2 m -66.93 126.66 29.81 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.929 -1.107 . . . . 74.5 112.254 165.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.5 mt -110.5 132.54 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.553 0 C-N-CA 129.149 2.98 . . . . 73.11 103.822 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 t -114.25 127.55 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 106.522 -1.658 . . . . 72.42 106.522 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.28 95.55 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.752 1.39 . . . . 75.23 114.752 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.42 -39.37 94.31 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.322 1.849 . . . . 74.35 112.718 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -131.36 96.61 21.18 Favored Pre-proline 0 C--N 1.349 0.544 0 CA-C-O 118.112 -0.947 . . . . 73.3 110.329 -160.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.08 -13.67 38.75 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 CA-C-N 123.135 2.155 . . . . 75.43 112.87 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -69.13 -44.67 71.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.703 1.201 . . . . 72.42 110.754 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.98 95.72 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.098 0.959 . . . . 73.33 111.368 172.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.6 m -56.44 -46.56 80.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 117.834 0.288 . . . . 74.34 111.576 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.98 -48.74 70.26 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.758 -1.214 . . . . 73.01 113.666 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.18 78.73 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.168 1.387 . . . . 75.44 112.87 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.46 -41.44 98.77 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.162 0.985 . . . . 74.02 109.298 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.02 -46.9 85.4 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 121.423 -0.798 . . . . 72.43 112.367 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.24 98.71 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.717 1.207 . . . . 53.12 110.946 -174.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.4 ptm -71.85 -29.02 63.95 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 119.093 -0.479 . . . . 71.04 111.151 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.8 -46.56 65.43 Favored 'General case' 0 C--N 1.37 1.472 0 CA-C-N 120.165 1.348 . . . . 74.34 113.684 166.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.037 1.495 . . . . 75.11 115.037 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HA ' HG12 ' A' ' 123' ' ' ILE . 57.9 tptt -63.41 -29.67 70.93 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 123.577 0.751 . . . . 70.24 112.338 176.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.02 99.74 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.479 1.133 . . . . 73.33 111.974 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.39 -45.99 71.2 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 114.645 1.35 . . . . 75.11 114.645 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.404 HG12 ' HA ' ' A' ' 120' ' ' LYS . 40.8 pt -67.87 -20.04 25.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 118.639 -2.538 . . . . 64.22 115.501 172.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.18 -40.44 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.147 0.979 . . . . 64.54 111.517 168.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 113.491 0.922 . . . . 74.0 113.491 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 mt -68.76 153.01 44.56 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.922 2.089 . . . . 63.05 115.504 -172.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.33 -0.31 54.35 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.979 1.312 . . . . 72.34 111.914 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -130.57 155.09 47.11 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 106.797 -1.557 . . . . 73.23 106.797 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.43 119.13 42.5 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-O 118.544 -0.741 . . . . 73.11 111.309 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -70.1 151.2 67.05 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.457 2.104 . . . . 71.34 109.028 155.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -88.71 168.92 12.1 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 106.832 -1.544 . . . . 63.25 106.832 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.63 -24.42 67.79 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.275 -1.516 . . . . 75.45 113.663 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.8 -41.35 97.63 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.508 -1.37 . . . . 75.03 112.125 172.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.05 -43.13 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 C-N-CA 126.349 1.86 . . . . 64.53 113.301 -171.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.86 80.38 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.602 1.092 . . . . 71.41 112.523 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.34 -32.5 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 O-C-N 121.503 -0.748 . . . . 73.44 109.307 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.72 99.75 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.161 -0.8 . . . . 72.54 113.88 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.29 -37.54 87.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.361 1.581 . . . . 72.31 113.797 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.58 -54.55 41.55 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 112.968 0.729 . . . . 74.15 112.968 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 69.6 mt -67.48 -38.68 84.77 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.233 -0.894 . . . . 61.31 112.457 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.15 96.3 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.844 -1.16 . . . . 75.42 113.75 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.79 -36.5 78.35 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.135 -0.978 . . . . 65.51 111.622 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.258 1.545 0 N-CA-C 114.959 1.466 . . . . 73.34 114.959 -176.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 N--CA 1.455 -0.759 0 CA-C-O 118.45 -0.729 . . . . 74.52 113.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.1 ttt -70.1 -43.22 71.51 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.823 1.192 . . . . 72.34 112.164 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.49 -31.93 69.23 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 121.098 -1.001 . . . . 75.22 111.664 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.94 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.636 0.774 . . . . 61.33 112.983 170.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 95.4 m -60.26 -44.96 94.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.212 0.915 . . . . 71.43 110.32 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -43.01 93.73 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 119.777 -1.827 . . . . 74.14 111.904 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 114.762 1.393 . . . . 75.1 114.762 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.67 -39.6 88.99 Favored 'General case' 0 CA--C 1.487 -1.449 0 C-N-CA 126.759 2.023 . . . . 72.24 110.543 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 mt -83.74 -7.06 59.56 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.797 -1.092 . . . . 74.22 110.233 -177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.54 45.91 21.48 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.492 2.317 . . . . 71.03 113.479 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.73 158.28 44.04 Favored Pre-proline 0 C--N 1.35 0.618 0 C-N-CA 124.126 0.971 . . . . 73.04 109.375 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.37 166.69 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.503 2.135 . . . . 73.14 113.288 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.5 -30.68 71.45 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 128.421 2.689 . . . . 75.42 109.446 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.91 65.31 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 128.056 2.542 . . . . 64.3 113.485 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.2 m -101.65 -23.71 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.244 -1.382 . . . . 75.1 112.238 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -66.83 -32.38 73.62 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.172 -1.58 . . . . 72.44 111.604 166.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.06 -21.89 61.45 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.38 -0.825 . . . . 74.32 112.915 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.08 -37.76 83.83 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.055 -1.028 . . . . 75.32 112.781 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.403 ' CD2' HG12 ' A' ' 52' ' ' ILE . 18.8 t80 -60.91 -44.09 97.65 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 114.28 1.215 . . . . 75.42 114.28 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.4 p90 -71.42 -34.41 70.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 119.604 -1.935 . . . . 74.2 116.018 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -63.15 -20.96 65.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.639 1.576 . . . . 64.12 114.729 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--N 1.347 0.489 0 C-N-CA 127.059 2.144 . . . . 74.22 111.678 177.537 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 CA--C 1.515 -0.371 0 N-CA-C 111.971 0.359 . . . . 74.4 111.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.84 133.78 34.31 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 124.003 0.921 . . . . 65.45 112.545 -163.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.01 -32.78 71.19 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.201 1.8 . . . . 75.53 113.464 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -62.96 -29.97 71.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 115.557 1.688 . . . . 73.24 115.557 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.08 89.48 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 118.704 0.684 . . . . 74.31 111.461 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.51 95.76 Favored Glycine 0 CA--C 1.49 -1.487 0 O-C-N 120.414 -1.429 . . . . 61.34 113.148 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.7 m -63.7 -41.5 98.11 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.13 0.972 . . . . 71.35 111.049 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.7 p -68.67 -42.04 82.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 121.21 -0.931 . . . . 72.25 111.553 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.5 mt -59.31 -45.34 93.3 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 120.396 -1.44 . . . . 72.14 112.7 -175.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.6 -28.92 68.16 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 114.073 1.138 . . . . 74.32 114.073 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.98 -43.39 98.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.335 1.454 . . . . 74.21 112.094 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.58 -38.05 86.13 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.104 1.775 . . . . 75.23 113.51 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -58.11 -36.01 72.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 115.855 1.798 . . . . 62.54 115.855 -174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.22 -42.59 72.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.864 0.84 . . . . 75.42 112.867 166.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.2 mttm -90.95 44.5 1.2 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.233 1.413 . . . . 71.43 113.383 -169.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD21 HD12 ' A' ' 62' ' ' LEU . 86.5 mt -90.43 -14.0 33.74 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.661 1.696 . . . . 74.14 109.31 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.39 -33.71 75.29 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.043 2.537 . . . . 70.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.59 -27.64 66.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.12 2.968 . . . . 74.1 111.809 -178.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 59' ' ' LEU . 71.2 mt -70.46 159.89 33.41 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.191 2.196 . . . . 74.23 111.45 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.5 141.42 41.27 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.727 -1.233 . . . . 74.34 109.497 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -60.74 -27.9 68.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.261 1.208 . . . . 75.02 114.261 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.48 -33.01 69.31 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.338 -1.476 . . . . 75.52 113.622 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.9 ptp -81.79 -12.25 58.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.814 -1.179 . . . . 74.31 112.819 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 62.29 26.42 15.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.086 2.555 . . . . 74.45 116.507 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -82.18 121.57 26.78 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 119.962 -1.712 . . . . 72.45 110.655 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.29 148.49 41.49 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.789 -1.56 . . . . 71.51 106.789 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.491 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.9 t60 -66.62 130.18 42.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.121 0.968 . . . . 70.4 110.865 -174.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -11.2 71.95 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 124.129 0.871 . . . . 60.13 114.898 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -103.0 24.51 10.65 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 118.708 1.254 . . . . 70.54 111.062 -171.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.76 81.73 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 114.657 1.354 . . . . 74.44 114.657 -173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 63.9 mtt -60.8 -39.58 89.44 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 119.201 0.909 . . . . 74.44 112.486 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -74.51 -44.52 50.96 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 113.303 0.853 . . . . 71.11 113.303 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.06 -47.29 86.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 126.808 2.043 . . . . 73.2 113.232 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.76 92.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 121.164 -0.96 . . . . 74.33 112.778 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.71 -34.31 77.59 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.804 1.242 . . . . 74.12 114.199 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.61 -32.62 71.75 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.927 -1.108 . . . . 72.41 112.019 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -93.98 14.15 20.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.902 1.681 . . . . 74.35 114.764 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.96 0.78 63.58 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 121.093 -1.004 . . . . 64.34 114.227 167.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.62 140.37 56.87 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.484 1.142 . . . . 64.1 110.841 162.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -82.79 172.21 13.11 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 119.537 -1.977 . . . . 73.3 108.279 169.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.99 -32.61 74.42 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.283 -1.511 . . . . 74.3 112.929 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.46 77.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.902 1.681 . . . . 75.1 112.118 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.68 -41.02 96.36 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.264 1.826 . . . . 64.31 113.436 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.76 84.83 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.015 0.746 . . . . 63.55 113.015 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -29.11 66.23 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.721 -1.237 . . . . 74.44 112.348 174.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -60.68 -42.7 97.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.391 1.626 . . . . 73.21 115.391 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.42 -40.95 98.56 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 121.886 2.13 . . . . 74.31 112.591 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.51 -40.32 95.42 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.424 -0.797 . . . . 74.04 111.695 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.269 -1.519 . . . . 72.13 112.549 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.71 -45.44 94.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 124.403 1.081 . . . . 74.4 110.263 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -59.22 -53.47 57.96 Favored 'General case' 0 CA--C 1.49 -1.328 0 O-C-N 121.844 -0.535 . . . . 74.44 111.723 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -70.58 -29.58 66.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 121.173 -0.955 . . . . 64.15 109.912 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 t -66.11 -41.12 91.01 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.602 1.192 . . . . 61.34 112.801 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.3 m -67.88 -35.21 78.12 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.106 1.15 . . . . 61.04 114.106 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.24 -28.79 68.31 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.151 1.381 . . . . 63.12 113.009 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -87.59 -19.04 28.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.215 0.45 . . . . 75.13 112.215 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -100.98 -31.29 3.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 O-C-N 121.389 -0.819 . . . . 61.45 111.248 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -70.66 154.36 8.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 N-CA-C 114.613 1.338 . . . . 74.32 114.613 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.6 m -66.55 126.93 30.46 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.072 -1.018 . . . . 72.21 112.26 165.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.1 mt -111.66 132.57 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 129.089 2.956 . . . . 74.14 103.446 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -113.26 128.18 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.633 0 N-CA-C 105.946 -1.872 . . . . 75.05 105.946 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.443 1.275 . . . . 71.13 114.443 171.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -64.84 -38.2 90.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.414 1.486 . . . . 73.11 114.532 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -128.2 96.45 31.18 Favored Pre-proline 0 N--CA 1.447 -0.587 0 CA-C-O 117.769 -1.11 . . . . 75.21 109.04 -162.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.64 -13.59 37.54 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 CA-C-N 123.859 2.414 . . . . 74.12 112.785 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.05 -44.42 69.21 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 125.083 1.353 . . . . 64.21 110.863 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -44.96 96.1 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.302 1.041 . . . . 72.33 111.255 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 m -56.12 -46.65 79.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 117.963 0.347 . . . . 74.24 111.584 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.7 tpt -66.7 -47.94 70.82 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.751 -1.218 . . . . 71.1 113.572 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.53 79.33 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.738 1.615 . . . . 72.53 112.591 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.42 -41.76 98.93 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.027 0.931 . . . . 74.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.83 -46.48 87.72 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 121.513 -0.742 . . . . 74.51 112.385 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.02 99.7 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 124.931 1.292 . . . . 64.35 110.95 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.09 -29.1 62.69 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 119.075 -0.488 . . . . 73.32 110.812 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.8 t -69.35 -46.28 67.38 Favored 'General case' 0 C--N 1.37 1.462 0 CA-C-N 120.075 1.307 . . . . 73.24 113.363 166.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -54.96 -47.81 74.02 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.057 1.503 . . . . 74.43 115.057 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.06 -32.33 73.67 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.905 0.859 . . . . 60.11 110.997 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.63 99.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 122.679 1.228 . . . . 73.34 111.814 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.18 -46.03 71.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 114.723 1.379 . . . . 74.44 114.723 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.45 -19.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 118.626 -2.546 . . . . 73.4 115.511 173.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.86 -40.69 96.23 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.303 1.041 . . . . 75.55 111.728 167.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -71.82 -27.8 63.16 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.862 0.865 . . . . 65.42 113.308 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.81 153.54 43.19 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.244 2.218 . . . . 73.43 115.332 -171.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.77 0.35 53.14 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.636 1.174 . . . . 73.54 111.615 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -131.03 155.24 47.2 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.421 -1.696 . . . . 75.4 106.421 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.46 120.3 36.56 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 118.305 -0.855 . . . . 74.53 110.651 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.9 150.79 67.85 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.384 2.056 . . . . 73.43 109.094 157.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -87.56 166.44 14.73 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 106.392 -1.707 . . . . 74.22 106.392 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.23 -21.1 66.7 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.0 -1.688 . . . . 71.32 114.373 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.5 -40.75 95.71 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.457 -1.402 . . . . 75.11 112.116 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.02 -43.91 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 126.529 1.932 . . . . 74.32 113.066 -173.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.49 83.13 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 119.265 0.938 . . . . 74.35 112.304 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 m -77.34 -33.33 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 O-C-N 121.433 -0.792 . . . . 75.51 109.259 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.93 99.49 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 121.615 -0.678 . . . . 72.21 113.731 -172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.28 -38.08 89.77 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.777 1.289 . . . . 74.23 113.834 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.55 -50.78 68.17 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.851 1.26 . . . . 74.21 112.717 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 56' ' ' ALA . 19.2 mt -68.28 -41.75 80.56 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.123 -1.398 . . . . 72.22 111.287 -176.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.54 81.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.657 -1.277 . . . . 75.3 113.922 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.25 19.34 8.24 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.831 -1.168 . . . . 74.22 112.74 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.491 HG21 ' CE1' ' A' ' 70' ' ' HIS . 7.4 t . . . . . 0 C--O 1.266 1.944 0 O-C-N 119.18 -2.2 . . . . 73.34 113.613 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 118.434 -0.736 . . . . 75.35 113.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.5 ttt -69.98 -43.87 70.58 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.691 1.132 . . . . 74.13 111.558 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.38 -31.21 65.37 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.492 1.117 . . . . 73.15 112.09 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.99 98.63 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.306 1.043 . . . . 75.4 112.802 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.2 m -60.35 -44.4 95.59 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.302 -0.874 . . . . 75.33 110.308 175.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 119.735 -1.853 . . . . 75.31 112.196 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -77.29 -40.87 42.96 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 114.826 1.417 . . . . 72.44 114.826 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.9 -39.27 88.66 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 125.182 1.393 . . . . 75.02 111.273 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.9 mt -83.57 -9.29 59.02 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.96 -1.018 . . . . 75.23 110.436 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.53 48.37 12.07 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.529 2.332 . . . . 74.03 113.003 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -119.3 158.35 48.89 Favored Pre-proline 0 C--N 1.347 0.475 0 C-N-CA 124.665 1.186 . . . . 74.52 109.231 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.94 166.61 29.23 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.614 2.21 . . . . 71.34 113.465 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -62.71 -29.82 70.95 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 128.172 2.589 . . . . 65.04 109.712 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.96 65.14 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.948 2.499 . . . . 71.13 113.43 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 m -102.48 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 C-N-CA 118.449 -1.3 . . . . 73.03 112.054 -173.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.8 ptm -66.08 -31.84 72.94 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 120.28 -1.512 . . . . 74.22 111.506 166.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.7 pp0? -73.39 -21.83 60.41 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 121.544 -0.723 . . . . 74.0 112.939 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -61.07 -38.03 84.76 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 121.143 -0.973 . . . . 74.24 112.652 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -60.78 -43.75 97.69 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 114.348 1.24 . . . . 73.24 114.348 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 43.8 p90 -72.04 -34.47 68.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 119.579 -1.951 . . . . 73.15 116.244 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -63.4 -20.95 65.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.871 1.668 . . . . 74.41 114.75 170.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.348 0.518 0 C-N-CA 127.306 2.242 . . . . 75.42 111.541 177.746 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 120.691 0.282 . . . . 72.43 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.69 132.72 34.46 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.189 -0.944 . . . . 72.45 112.232 -164.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.12 -32.79 71.34 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.037 1.735 . . . . 75.2 113.63 -173.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.02 -29.79 71.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 115.811 1.782 . . . . 74.34 115.811 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.38 87.64 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.658 0.663 . . . . 75.21 111.497 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.42 95.65 Favored Glycine 0 CA--C 1.491 -1.468 0 O-C-N 120.378 -1.451 . . . . 73.42 113.109 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.1 m -63.84 -42.06 97.69 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.295 1.038 . . . . 75.33 110.915 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 O-C-N 121.224 -0.923 . . . . 75.12 111.796 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.7 -45.92 93.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 O-C-N 120.29 -1.506 . . . . 74.44 112.992 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.15 -29.08 68.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.319 1.229 . . . . 70.45 114.319 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.3 t -64.48 -41.17 96.64 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.874 1.67 . . . . 74.45 112.715 173.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -40.03 90.99 Favored 'General case' 0 C--N 1.365 1.264 0 CA-C-N 122.348 2.34 . . . . 75.21 112.989 172.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.7 -36.46 69.68 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 125.581 1.552 . . . . 62.44 114.466 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.23 -20.32 48.55 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.58 -0.7 . . . . 74.41 112.635 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 96.5 mttt -109.46 32.01 5.33 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.174 1.79 . . . . 71.25 112.931 -171.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 HD12 ' A' ' 62' ' ' LEU . 96.4 mt -77.36 -26.62 52.15 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 119.87 -1.769 . . . . 73.12 111.068 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -64.1 -16.53 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.095 1.358 . . . . 74.35 112.734 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -76.18 -26.68 56.43 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.641 1.576 . . . . 74.11 110.752 174.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.504 HD12 HD21 ' A' ' 59' ' ' LEU . 57.7 mt -69.3 160.02 32.02 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.239 2.215 . . . . 72.34 110.336 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.49 138.5 47.06 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.546 -1.346 . . . . 70.32 109.85 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -60.59 -27.32 67.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.274 1.213 . . . . 74.11 114.274 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.41 -33.62 69.85 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.436 -1.415 . . . . 74.23 113.434 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.4 ptm -79.42 -16.84 55.51 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.861 -1.149 . . . . 75.34 112.413 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 62.95 31.49 16.15 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.813 2.845 . . . . 71.21 117.127 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 HD21 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.93 122.51 27.34 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.898 -1.751 . . . . 73.25 111.026 175.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -141.49 156.84 45.71 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 72.32 107.222 167.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -69.03 134.57 49.61 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.771 1.272 . . . . 65.3 112.337 -174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.49 63.73 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.078 -0.965 . . . . 64.43 114.753 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.36 18.52 15.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 125.873 1.669 . . . . 65.33 112.25 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.05 79.88 Favored 'General case' 0 CA--C 1.495 -1.17 0 C-N-CA 125.191 1.397 . . . . 75.44 113.802 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.08 -38.82 87.6 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.487 1.039 . . . . 75.45 112.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.27 -44.74 35.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 113.354 0.872 . . . . 73.32 113.354 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.13 -44.87 96.67 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.479 2.312 . . . . 74.43 113.594 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.98 79.84 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.89 -1.132 . . . . 73.14 113.103 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.38 -35.88 81.86 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 114.39 1.256 . . . . 74.32 114.39 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -61.08 -28.26 68.95 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.868 -1.145 . . . . 73.52 112.344 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.85 14.96 21.64 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.883 1.673 . . . . 75.54 114.536 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.72 62.35 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 121.122 -0.986 . . . . 51.33 113.855 166.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 143.33 56.86 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.307 1.054 . . . . 74.33 111.843 165.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -81.2 171.21 15.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.711 -1.868 . . . . 70.25 108.366 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.4 -33.87 76.86 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.647 -1.283 . . . . 73.34 112.749 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 126.091 1.756 . . . . 71.32 112.586 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 mmt -71.72 -35.97 70.35 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.247 1.019 . . . . 61.32 111.941 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.0 88.36 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.319 1.448 . . . . 75.31 113.001 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -24.53 50.42 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.534 0.733 . . . . 64.22 112.116 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -60.81 -42.06 96.92 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.659 1.355 . . . . 73.43 114.659 171.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.79 -41.94 99.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.038 1.745 . . . . 73.41 112.242 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.08 -40.53 96.45 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.803 -1.186 . . . . 73.41 112.112 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.72 -42.63 97.9 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.486 -1.384 . . . . 75.12 112.645 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.38 -45.41 93.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.08 0 C-N-CA 124.557 1.143 . . . . 73.53 110.387 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -58.31 -56.21 25.07 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 122.851 0.46 . . . . 74.03 111.752 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -66.03 -32.99 74.78 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 123.732 0.813 . . . . 74.43 109.734 -173.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.71 -41.72 91.98 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.915 1.34 . . . . 63.01 112.983 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.45 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.1 m -67.53 -34.6 77.43 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 114.532 1.308 . . . . 71.1 114.532 173.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.65 -32.48 70.49 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.238 1.415 . . . . 74.32 111.128 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -85.3 -19.44 31.52 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.817 0.447 . . . . 74.22 111.935 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.3 m -100.35 -29.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 121.385 -0.822 . . . . 73.42 111.354 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -71.27 155.07 7.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 114.971 1.471 . . . . 71.04 114.971 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 90.6 m -66.66 126.8 30.09 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.071 -1.018 . . . . 73.13 112.365 164.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.8 mt -112.23 132.42 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.619 0 C-N-CA 129.045 2.938 . . . . 74.1 103.822 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.74 128.15 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 N-CA-C 105.866 -1.902 . . . . 73.23 105.866 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.93 93.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.854 1.428 . . . . 74.32 114.854 170.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.25 -39.83 94.75 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.98 1.712 . . . . 60.44 113.402 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -127.66 92.37 43.0 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 118.256 -0.878 . . . . 72.31 108.759 -161.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -69.01 -14.06 37.74 Favored 'Trans proline' 0 C--N 1.331 -0.371 0 C-N-CA 122.652 2.235 . . . . 73.44 112.535 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.82 -43.33 72.26 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.917 1.287 . . . . 73.4 110.457 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -45.22 94.75 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.183 -0.948 . . . . 75.25 110.974 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -56.1 -46.12 79.19 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 111.71 0.263 . . . . 75.01 111.71 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.1 tpt -66.29 -48.23 71.08 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.809 -1.182 . . . . 72.34 113.707 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -44.75 79.7 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.807 1.643 . . . . 73.23 112.581 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.48 -41.92 99.13 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.071 0.949 . . . . 74.13 109.467 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.0 -46.8 85.93 Favored 'General case' 0 CA--C 1.494 -1.179 0 O-C-N 121.773 -0.579 . . . . 75.24 112.173 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.96 99.16 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.663 1.185 . . . . 64.22 110.978 -174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -72.65 -28.64 62.85 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.16 -0.448 . . . . 74.1 110.87 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.8 t -69.9 -46.34 65.65 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-N 119.954 1.252 . . . . 55.32 113.383 166.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.05 -47.93 74.13 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 114.975 1.472 . . . . 74.31 114.975 173.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.6 ttpp -62.64 -31.76 72.69 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 124.11 0.964 . . . . 71.32 111.377 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.84 99.69 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 122.541 1.162 . . . . 75.21 112.338 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -67.6 -46.61 72.09 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.939 1.296 . . . . 75.42 114.22 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.436 HG12 ' HA ' ' A' ' 120' ' ' LYS . 17.2 pt -66.75 -22.57 29.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 119.11 -2.244 . . . . 72.45 114.258 175.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.3 -41.46 98.53 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.854 1.262 . . . . 64.43 111.891 168.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -75.49 -25.25 57.16 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.38 0.882 . . . . 74.42 113.38 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.04 152.83 45.05 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 127.256 2.222 . . . . 72.34 115.319 -175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.87 0.35 53.29 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.859 1.264 . . . . 64.34 111.93 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.9 p-90 -129.46 154.46 46.96 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 106.663 -1.606 . . . . 73.12 106.663 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.84 42.55 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-O 118.618 -0.706 . . . . 51.41 111.396 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.36 147.44 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.381 2.054 . . . . 74.41 109.756 157.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.42 168.71 18.04 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 121.613 0.72 . . . . 72.22 109.277 165.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.71 -32.38 72.58 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.658 -1.276 . . . . 73.25 111.632 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.178 0.991 . . . . 70.41 111.989 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.15 -45.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 127.054 2.142 . . . . 75.22 111.569 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.5 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.468 -1.395 . . . . 74.12 114.053 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.84 -29.74 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.217 0 O-C-N 120.597 -1.315 . . . . 72.12 108.184 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.35 98.3 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.141 -0.811 . . . . 71.35 114.087 -174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -35.47 79.24 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.517 1.658 . . . . 72.05 112.845 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.11 -51.17 69.0 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 113.312 0.856 . . . . 73.44 113.312 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 56' ' ' ALA . 28.9 mt -68.43 -40.38 81.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.741 -1.118 . . . . 70.43 111.948 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.38 89.32 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.244 -1.535 . . . . 74.33 113.348 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -95.03 27.16 3.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.588 -0.695 . . . . 54.3 111.74 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.261 1.69 0 O-C-N 119.694 -1.879 . . . . 71.32 114.511 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 CA-C-O 117.225 -1.24 . . . . 73.11 114.746 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 93.1 mtp -65.4 -43.36 90.87 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.9 2.136 . . . . 75.02 114.589 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.37 -31.88 69.32 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.846 -1.159 . . . . 73.05 111.336 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.47 89.2 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 113.877 1.065 . . . . 74.41 113.877 168.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.6 m -60.08 -43.81 95.22 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.437 1.017 . . . . 73.32 110.181 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.28 -43.08 92.55 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 119.488 -2.008 . . . . 72.42 112.691 -175.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -77.45 -39.27 47.29 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.693 1.368 . . . . 74.44 114.693 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.19 -40.01 84.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 126.672 1.989 . . . . 74.43 110.496 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.9 mt -87.07 -10.19 53.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.325 -0.852 . . . . 72.24 110.214 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.07 48.02 13.73 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.449 1.9 . . . . 72.51 113.142 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.07 158.09 47.05 Favored Pre-proline 0 C--N 1.347 0.489 0 C-N-CA 124.952 1.301 . . . . 74.41 108.316 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.51 165.96 31.08 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.477 2.118 . . . . 71.34 113.394 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.2 -30.56 71.17 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 128.256 2.622 . . . . 75.41 109.457 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.78 68.43 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.601 2.36 . . . . 73.14 113.738 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 m -99.91 -24.65 4.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.381 -1.449 . . . . 75.11 112.039 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.7 ptm -65.21 -32.28 73.87 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.435 -1.416 . . . . 64.32 111.54 167.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -75.17 -22.52 58.01 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.581 -0.7 . . . . 74.33 112.391 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.03 -37.54 82.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.07 -1.019 . . . . 75.3 113.004 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CD2' HG12 ' A' ' 52' ' ' ILE . 16.5 t80 -60.41 -46.15 91.05 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 113.996 1.109 . . . . 74.11 113.996 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 40.2 p90 -71.75 -32.77 68.05 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 115.618 1.71 . . . . 72.31 115.618 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.19 -12.45 40.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 115.526 1.676 . . . . 70.22 115.526 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.355 0.809 0 C-N-CA 125.01 1.324 . . . . 73.51 109.941 173.553 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 112.108 0.41 . . . . 60.22 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -83.61 134.42 34.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.022 0.929 . . . . 73.41 112.093 -165.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.62 -33.03 70.98 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.184 1.793 . . . . 73.21 113.671 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.754 1.761 . . . . 72.14 115.754 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.47 89.15 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.689 0.677 . . . . 74.43 111.471 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.25 95.54 Favored Glycine 0 CA--C 1.489 -1.557 0 O-C-N 120.283 -1.511 . . . . 74.4 113.1 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.2 m -63.92 -41.74 97.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.316 1.046 . . . . 73.4 110.856 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -68.1 -42.06 84.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 121.087 -1.008 . . . . 63.12 111.919 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 33' ' ' PHE . 52.2 mt -59.95 -45.47 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 120.354 -1.466 . . . . 71.24 112.911 -174.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.35 -28.34 67.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 114.688 1.366 . . . . 75.44 114.688 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.83 -42.56 99.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.849 1.66 . . . . 72.15 112.295 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.05 -38.58 83.22 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-N 121.061 1.755 . . . . 61.23 113.662 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -57.81 -35.05 70.33 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 126.007 1.723 . . . . 73.13 115.394 -174.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.34 -11.17 55.24 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.178 0.807 . . . . 72.41 113.178 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.5 mttm -118.19 37.92 3.86 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.285 1.434 . . . . 74.54 111.948 -173.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD21 HD12 ' A' ' 62' ' ' LEU . 91.4 mt -82.01 -27.06 33.3 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 123.893 1.806 . . . . 74.3 110.66 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.34 -15.37 57.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 126.2 1.8 . . . . 71.24 112.803 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.5 mt -75.99 -27.51 57.46 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.196 1.798 . . . . 73.22 111.446 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 HD21 ' A' ' 59' ' ' LEU . 57.5 mt -69.57 160.56 31.3 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.657 2.383 . . . . 72.45 111.076 -173.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.9 126.05 28.56 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.041 -1.037 . . . . 74.44 111.056 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.31 -25.88 67.42 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.378 1.471 . . . . 74.42 113.583 -171.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.82 -32.26 63.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.977 2.111 . . . . 75.41 113.966 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 ptp -81.98 -8.41 59.67 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.043 1.292 . . . . 73.1 112.335 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 m120 62.49 27.9 16.5 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 128.303 2.641 . . . . 64.44 116.191 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.18 121.26 25.91 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 120.138 -1.602 . . . . 71.23 110.673 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -136.35 161.01 36.99 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 105.097 -2.186 . . . . 63.32 105.097 168.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -68.26 145.39 54.29 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.002 -1.11 . . . . 74.35 108.002 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 -48.3 4.03 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 120.446 -1.409 . . . . 71.35 115.005 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.59 50.33 1.98 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.594 1.557 . . . . 75.53 109.35 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.69 95.92 Favored 'General case' 0 CA--C 1.485 -1.549 0 C-N-CA 126.112 1.765 . . . . 72.53 111.462 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -61.15 -41.47 96.79 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.013 0.435 . . . . 72.23 112.004 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.32 -45.31 66.48 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 113.48 0.919 . . . . 72.33 113.48 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.67 -48.19 82.91 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.475 1.91 . . . . 71.22 112.98 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.15 94.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.241 1.016 . . . . 74.3 112.94 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.15 -36.26 83.02 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.134 1.161 . . . . 72.41 114.134 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.57 -27.5 68.67 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 120.655 -1.278 . . . . 74.43 112.309 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.11 13.53 24.98 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.875 1.67 . . . . 70.34 114.707 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.83 0.02 62.49 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 121.0 -1.062 . . . . 71.03 114.271 167.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 141.38 57.71 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.445 1.123 . . . . 74.52 111.193 163.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -81.51 169.98 16.46 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.467 -2.021 . . . . 74.13 108.115 169.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.61 -34.9 79.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.601 -1.312 . . . . 71.2 112.74 -173.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.627 1.971 . . . . 74.4 112.374 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -72.21 -36.13 69.08 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.175 0.99 . . . . 74.43 112.403 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.853 0.861 . . . . 71.45 113.311 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.85 -28.46 66.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.737 -1.227 . . . . 75.32 112.423 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.75 -42.0 96.54 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.964 1.468 . . . . 73.2 114.964 170.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.09 -41.97 99.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.72 2.054 . . . . 74.33 112.387 175.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.87 -39.99 95.51 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.711 -1.243 . . . . 72.41 112.007 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.73 -42.93 97.83 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.527 -1.358 . . . . 52.44 112.706 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.87 -45.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.072 0 C-N-CA 124.423 1.089 . . . . 73.41 110.329 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -59.09 -53.8 54.29 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.795 -0.566 . . . . 75.33 111.672 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.1 -29.14 64.91 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.2 -0.938 . . . . 70.34 110.013 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -43.71 86.69 Favored 'General case' 0 C--N 1.361 1.091 0 CA-C-O 122.615 1.198 . . . . 74.04 111.814 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.451 ' HA ' HG23 ' A' ' 100' ' ' VAL . 10.3 m -65.56 -32.1 73.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 114.222 1.193 . . . . 73.43 114.222 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.08 -25.68 67.12 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.067 1.347 . . . . 75.42 112.394 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -75.82 -40.35 55.08 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.075 1.75 . . . . 75.01 109.895 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 97' ' ' CYS . 24.8 m -95.48 -29.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 C-N-CA 123.387 0.675 . . . . 74.2 111.398 -164.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.03 155.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.629 1.204 . . . . 73.52 113.96 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.4 m -66.67 122.78 18.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.926 -1.109 . . . . 72.04 111.673 164.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.1 mt -104.58 131.79 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.592 0 C-N-CA 128.558 2.743 . . . . 72.42 103.602 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -113.24 128.11 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 106.123 -1.806 . . . . 75.41 106.123 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.65 91.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.438 1.273 . . . . 73.12 114.438 171.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.88 -39.89 95.24 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.009 1.724 . . . . 52.23 113.563 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -129.89 96.13 26.91 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.827 -1.082 . . . . 64.21 109.077 -160.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.47 -13.69 38.07 Favored 'Trans proline' 0 C--N 1.329 -0.499 0 CA-C-N 123.768 2.381 . . . . 64.24 112.779 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.41 -44.57 71.13 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.144 1.378 . . . . 73.54 110.919 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -45.44 94.22 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.352 1.061 . . . . 74.43 111.667 172.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -56.29 -46.37 79.8 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.196 0.453 . . . . 71.43 111.429 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 tpt -66.52 -48.98 68.05 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.662 -1.274 . . . . 74.3 114.0 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -45.05 80.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.08 1.352 . . . . 75.53 112.588 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.45 -41.34 98.67 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.068 0.947 . . . . 73.54 109.6 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.85 -46.79 86.25 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 121.321 -0.862 . . . . 74.51 112.595 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.26 97.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 123.949 0.9 . . . . 65.34 110.87 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.0 ptm -69.85 -29.71 67.02 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 118.852 -0.594 . . . . 75.53 112.071 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.61 -46.97 67.9 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 120.521 1.509 . . . . 74.44 113.754 166.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -55.92 -48.58 75.43 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 115.239 1.57 . . . . 63.12 115.239 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HA ' HG12 ' A' ' 123' ' ' ILE . 42.8 mmtm -67.42 -22.85 65.5 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.375 -0.828 . . . . 64.43 111.988 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.52 91.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.347 1.07 . . . . 63.32 112.575 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -67.37 -45.37 76.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.894 1.278 . . . . 64.11 114.253 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 120' ' ' LYS . 16.3 pt -66.53 -22.14 29.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 119.529 -1.982 . . . . 73.12 114.451 174.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.477 1.111 . . . . 72.14 111.828 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -71.05 -27.49 63.69 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.263 1.025 . . . . 75.52 113.239 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.1 mt -68.57 153.28 44.06 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.287 2.235 . . . . 75.13 115.111 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.13 0.9 52.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.591 1.156 . . . . 72.34 111.775 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -130.11 155.33 46.37 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.096 -1.446 . . . . 75.33 107.096 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.15 118.94 41.48 Favored Pre-proline 0 N--CA 1.444 -0.771 0 CA-C-O 118.602 -0.713 . . . . 63.32 111.499 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.36 154.01 65.7 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.504 2.136 . . . . 74.01 108.951 155.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -85.46 169.03 14.03 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 106.429 -1.693 . . . . 72.13 106.429 173.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.51 -33.25 73.5 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.265 -1.522 . . . . 74.32 112.285 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.59 -41.46 94.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 123.767 0.827 . . . . 64.01 112.256 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -44.72 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 C-N-CA 126.467 1.907 . . . . 75.21 112.982 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.48 86.68 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.362 0.875 . . . . 62.22 113.362 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.37 -29.14 14.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 120.59 -1.318 . . . . 75.13 107.681 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.35 -41.48 98.13 Favored Glycine 0 C--N 1.357 1.731 0 O-C-N 121.329 -0.857 . . . . 75.41 114.238 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.19 -37.47 87.6 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.844 1.322 . . . . 61.31 113.03 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.95 -51.92 62.13 Favored 'General case' 0 CA--C 1.477 -1.843 0 C-N-CA 124.892 1.277 . . . . 75.13 113.056 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 56' ' ' ALA . 51.9 mt -69.17 -39.02 79.0 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.817 -1.083 . . . . 75.33 112.063 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.39 98.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 119.963 -1.711 . . . . 53.33 113.319 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -91.91 34.58 1.0 Allowed 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.802 -1.186 . . . . 71.13 111.853 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.262 1.731 0 O-C-N 119.774 -1.829 . . . . 74.3 114.377 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.455 -0.739 0 CA-C-O 118.502 -0.707 . . . . 72.31 113.341 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ttt -69.4 -43.06 74.21 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.973 1.26 . . . . 75.11 112.397 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.46 -31.02 66.69 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.331 1.052 . . . . 75.24 112.04 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.75 98.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.01 0.924 . . . . 70.31 111.738 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -74.19 0.02 15.36 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.328 1.451 . . . . 75.12 113.875 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -87.71 -48.66 7.69 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.238 -2.164 . . . . 74.13 109.733 163.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.49 -37.03 37.72 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.202 -1.561 . . . . 74.51 114.456 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.54 -38.65 81.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 127.01 2.124 . . . . 74.34 110.825 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.51 -9.53 54.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 113.991 -1.459 . . . . 74.34 109.277 -173.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.55 46.63 14.55 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.662 1.985 . . . . 72.4 113.081 -176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.86 157.43 48.29 Favored Pre-proline 0 C--N 1.348 0.539 0 C-N-CA 124.541 1.137 . . . . 62.42 108.869 -175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -75.31 167.09 27.49 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.539 2.159 . . . . 73.11 113.217 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.59 -25.65 68.06 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.676 2.39 . . . . 61.03 110.003 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.15 68.86 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.651 1.98 . . . . 65.12 113.776 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 m -102.93 -23.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 120.54 -1.35 . . . . 75.34 112.051 -172.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -67.91 -31.68 71.63 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.115 -1.616 . . . . 64.43 110.574 167.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.64 -21.68 61.05 Favored 'General case' 0 C--N 1.361 1.073 0 O-C-N 121.431 -0.793 . . . . 73.23 112.627 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.11 -37.57 83.23 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.124 -0.985 . . . . 75.51 112.78 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.46 -43.88 96.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.276 1.213 . . . . 73.42 114.276 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.3 p90 -72.33 -33.96 67.72 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 116.476 2.028 . . . . 72.31 116.476 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -63.53 -21.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.275 1.83 . . . . 74.13 114.629 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.349 0.569 0 C-N-CA 127.355 2.262 . . . . 75.44 111.464 177.272 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.956 0.408 . . . . 74.23 111.259 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -87.69 133.33 33.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.904 0.882 . . . . 63.44 112.13 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.63 -31.45 70.64 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.077 1.751 . . . . 74.43 113.834 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.2 -31.34 71.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 115.399 1.629 . . . . 72.13 115.399 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.709 0.766 . . . . 63.45 110.804 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.27 99.35 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 120.975 -1.078 . . . . 74.2 114.04 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.81 -41.32 97.92 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.799 1.239 . . . . 50.32 111.382 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.9 -41.51 87.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 121.11 -0.993 . . . . 75.44 112.315 171.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.75 -46.19 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 O-C-N 120.669 -1.27 . . . . 71.02 112.889 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.27 -28.53 67.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.423 1.268 . . . . 71.4 114.423 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.33 -42.87 99.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.889 1.676 . . . . 65.24 112.387 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.09 -37.11 81.54 Favored 'General case' 0 C--N 1.369 1.417 0 CA-C-N 121.088 1.767 . . . . 74.55 113.814 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -58.18 -36.05 72.48 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 115.818 1.784 . . . . 62.25 115.818 -174.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -70.69 -42.1 71.12 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 113.356 0.873 . . . . 70.03 113.356 165.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.8 mttm -89.96 46.59 1.37 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.41 -1.431 . . . . 72.23 113.851 -169.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 62' ' ' LEU . 84.7 mt -92.79 -12.59 30.84 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 123.54 1.638 . . . . 74.53 109.394 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.14 -28.18 69.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 127.434 2.294 . . . . 74.12 110.459 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -74.65 -23.76 58.71 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.947 2.499 . . . . 75.4 111.486 -177.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.507 HD12 HD21 ' A' ' 59' ' ' LEU . 64.6 mt -76.18 160.6 29.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.855 2.462 . . . . 74.43 110.826 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.76 146.98 32.04 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.429 -1.419 . . . . 73.4 111.052 -172.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.64 -30.28 70.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.758 1.392 . . . . 75.32 114.758 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -58.59 -35.45 72.43 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.106 -1.621 . . . . 75.02 113.506 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.34 -17.63 58.1 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.948 -1.095 . . . . 72.04 112.905 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 64.42 27.07 13.58 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.803 2.841 . . . . 73.1 116.569 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.37 120.46 24.99 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.865 -1.772 . . . . 73.11 110.34 178.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.13 147.22 38.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.223 -1.769 . . . . 75.21 106.223 168.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.492 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.3 t60 -65.78 129.68 40.63 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.279 1.032 . . . . 74.24 111.125 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.59 -11.23 72.21 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 124.146 0.879 . . . . 71.33 114.96 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.69 25.42 9.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.805 1.302 . . . . 75.53 110.651 -172.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.11 83.06 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 124.758 1.223 . . . . 74.14 114.276 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.6 mtm -61.05 -39.02 88.26 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.761 1.164 . . . . 72.44 112.42 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.84 -45.31 44.05 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 112.985 0.735 . . . . 72.33 112.985 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.52 -45.1 95.62 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.352 1.861 . . . . 74.22 113.025 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.78 83.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 121.207 -0.933 . . . . 73.34 112.697 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.1 mtm -63.53 -37.46 87.39 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 114.501 1.297 . . . . 73.4 114.501 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -61.5 -27.1 68.34 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.806 -1.184 . . . . 64.24 112.49 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.25 14.66 21.56 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.591 1.556 . . . . 72.33 114.6 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.35 -2.56 61.09 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 121.106 -0.996 . . . . 65.14 113.844 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 143.52 56.02 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.465 -1.021 . . . . 73.35 111.663 165.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -80.97 170.99 15.55 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 119.508 -1.995 . . . . 62.03 108.418 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.19 -34.63 78.52 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.588 -1.32 . . . . 71.22 112.683 -172.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.5 80.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.136 1.774 . . . . 71.31 112.59 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.49 -36.37 73.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.954 -1.092 . . . . 75.23 111.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.44 88.46 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.179 1.392 . . . . 73.1 112.818 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -75.49 -25.66 57.51 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.717 0.807 . . . . 75.52 111.915 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -42.05 97.05 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.81 1.411 . . . . 73.15 114.81 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.77 -41.83 99.41 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 121.239 1.836 . . . . 73.03 112.333 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.094 -1.004 . . . . 71.4 111.822 172.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.74 -42.66 97.82 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.458 -1.401 . . . . 72.13 112.57 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.42 -45.14 93.8 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 124.458 1.103 . . . . 74.13 110.17 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.89 -56.41 22.62 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 121.862 -0.524 . . . . 65.22 112.046 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -68.32 -29.16 67.85 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.46 -0.775 . . . . 73.31 110.91 -174.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.0 t -66.74 -40.07 88.17 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 122.533 1.158 . . . . 62.33 113.337 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.452 ' HA ' HG23 ' A' ' 100' ' ' VAL . 18.5 m -69.27 -34.64 75.06 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.22 1.408 . . . . 74.42 114.424 172.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.35 -32.11 70.95 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.065 -1.022 . . . . 74.4 111.601 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -83.33 -20.4 34.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.537 0.735 . . . . 74.15 111.721 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.16 -29.51 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 121.495 -0.753 . . . . 74.14 111.169 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 157.18 6.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 114.692 1.367 . . . . 73.45 114.692 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 m -70.53 127.74 33.74 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.975 -1.078 . . . . 73.41 112.22 164.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.3 mt -110.98 132.48 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.687 0 C-N-CA 129.847 3.259 . . . . 75.41 103.201 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.0 t -115.6 128.17 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 106.153 -1.795 . . . . 75.13 106.153 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.75 96.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 114.727 1.38 . . . . 73.01 114.727 173.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.38 -38.78 92.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.225 1.81 . . . . 75.22 112.978 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.63 89.93 42.13 Favored Pre-proline 0 C--N 1.349 0.554 0 CA-C-O 118.699 -0.667 . . . . 61.32 109.98 -158.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -69.35 -13.16 35.23 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.742 2.295 . . . . 75.32 112.73 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.65 -44.36 78.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.994 1.318 . . . . 74.51 110.482 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.14 95.45 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.156 0.982 . . . . 75.43 111.822 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.2 m -56.58 -46.45 80.79 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 112.935 0.716 . . . . 75.22 112.935 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -46.69 74.12 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 117.392 2.367 . . . . 74.43 117.392 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -44.61 88.0 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.238 -1.539 . . . . 74.11 112.784 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.97 -41.7 99.62 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.902 0.881 . . . . 73.32 109.695 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.42 -46.52 85.98 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 121.603 -0.685 . . . . 73.21 112.061 175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.825 1.25 . . . . 73.31 110.837 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -72.64 -27.38 62.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.309 -0.377 . . . . 72.44 110.96 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.86 -46.75 56.85 Favored 'General case' 0 C--N 1.369 1.45 0 O-C-N 120.73 -1.231 . . . . 75.34 113.466 166.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.64 -47.39 76.72 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 114.879 1.436 . . . . 72.5 114.879 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -62.46 -33.15 74.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 121.979 0.895 . . . . 71.53 110.856 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 122.478 1.132 . . . . 64.53 111.703 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -67.64 -46.23 73.03 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 115.279 1.585 . . . . 75.52 115.279 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.1 pt -67.48 -21.2 27.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 118.596 -2.565 . . . . 73.53 115.453 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -61.78 -41.23 97.46 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.751 1.22 . . . . 75.42 111.612 168.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -76.02 -24.42 55.24 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 121.742 0.782 . . . . 74.51 113.103 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.86 154.05 42.71 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.419 2.288 . . . . 64.45 115.508 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -84.05 0.17 49.3 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.994 1.318 . . . . 75.12 111.836 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -134.79 155.98 49.66 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.237 -1.764 . . . . 72.15 106.237 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.39 37.75 Favored Pre-proline 0 N--CA 1.444 -0.767 0 CA-C-O 118.504 -0.76 . . . . 71.13 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.58 151.79 70.12 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.623 2.215 . . . . 74.51 109.532 157.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.3 p -84.46 168.86 15.1 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.968 -1.493 . . . . 72.2 106.968 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.52 -29.34 70.49 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.277 -1.515 . . . . 74.5 113.09 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.32 -38.4 83.59 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.988 0.915 . . . . 72.32 111.858 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -45.38 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 C-N-CA 127.474 2.309 . . . . 74.3 111.144 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.58 84.72 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.416 -1.427 . . . . 74.41 113.966 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.35 -30.19 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 C-N-CA 118.298 -1.361 . . . . 74.42 109.101 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -43.04 99.18 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-O 119.273 -0.737 . . . . 74.12 114.219 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.35 79.79 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.446 1.623 . . . . 74.43 113.038 178.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.39 -51.11 67.18 Favored 'General case' 0 CA--C 1.474 -1.952 0 C-N-CA 124.721 1.209 . . . . 74.44 112.434 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 56' ' ' ALA . 35.3 mt -70.03 -40.9 74.91 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.281 -1.327 . . . . 74.04 111.706 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.82 92.18 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 120.267 -1.521 . . . . 75.12 114.094 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.92 29.62 3.0 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.835 -1.166 . . . . 73.24 111.496 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.492 HG21 ' CE1' ' A' ' 70' ' ' HIS . 13.1 t . . . . . 0 C--O 1.265 1.88 0 O-C-N 119.761 -1.837 . . . . 72.45 113.474 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.455 -0.765 0 CA-C-O 118.682 -0.632 . . . . 74.53 112.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ttt -72.16 -42.77 65.55 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.596 1.089 . . . . 73.43 111.741 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.41 -32.26 69.81 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.179 0.992 . . . . 70.35 112.07 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.77 96.27 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 121.171 -0.956 . . . . 75.44 111.956 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.57 -2.27 16.42 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.907 1.283 . . . . 72.33 114.455 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.16 -49.11 7.99 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.426 -2.046 . . . . 74.43 110.378 163.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.67 -36.92 36.99 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.206 -1.559 . . . . 75.1 114.65 -173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.43 -37.94 79.39 Favored 'General case' 0 CA--C 1.495 -1.148 0 C-N-CA 127.59 2.356 . . . . 75.04 110.351 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.64 -9.57 49.12 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.206 -1.361 . . . . 73.24 109.376 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.15 46.51 15.89 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.802 2.041 . . . . 64.41 113.268 -175.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.94 156.89 49.63 Favored Pre-proline 0 C--N 1.348 0.525 0 C-N-CA 124.232 1.013 . . . . 75.42 108.912 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.27 166.5 28.75 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.49 2.127 . . . . 75.22 113.719 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.75 -25.69 68.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.723 2.409 . . . . 74.41 110.343 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.22 69.18 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 126.333 1.853 . . . . 74.42 114.418 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.15 -26.52 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 118.741 -1.184 . . . . 75.33 110.935 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -64.91 -28.3 69.44 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 118.551 -2.593 . . . . 74.13 111.239 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.494 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -74.18 -18.62 60.74 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-O 122.004 0.907 . . . . 72.41 113.197 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -72.6 -30.05 64.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 121.365 -0.834 . . . . 73.1 110.842 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' HG12 ' A' ' 52' ' ' ILE . 14.6 t80 -63.32 -45.48 91.13 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 114.015 1.117 . . . . 74.53 114.015 172.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.4 p90 -71.47 -34.27 70.04 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.127 -1.608 . . . . 75.01 115.137 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.48 -17.25 64.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.201 1.4 . . . . 65.13 114.442 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.349 0.571 0 C-N-CA 126.885 2.074 . . . . 73.22 110.973 176.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.142 0.496 . . . . 74.43 111.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -87.05 134.47 33.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.384 1.073 . . . . 74.34 111.86 -167.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -59.76 -32.7 70.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.505 1.922 . . . . 70.23 113.533 -173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.01 -30.13 71.36 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 116.502 2.038 . . . . 72.05 116.502 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.84 89.23 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 118.612 0.642 . . . . 73.22 111.359 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.19 97.13 Favored Glycine 0 CA--C 1.488 -1.606 0 O-C-N 120.513 -1.367 . . . . 72.13 112.949 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.317 1.047 . . . . 74.34 110.977 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.31 -42.44 84.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 O-C-N 121.278 -0.888 . . . . 74.32 111.95 172.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.8 mt -60.12 -45.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.76 -1.213 . . . . 74.43 112.418 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.89 -28.47 67.54 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.917 1.451 . . . . 74.43 114.917 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.44 -41.17 96.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.135 1.774 . . . . 74.22 112.695 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.61 -38.75 85.74 Favored 'General case' 0 C--N 1.367 1.338 0 CA-C-N 122.405 2.366 . . . . 74.41 112.782 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.35 -36.87 66.77 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 126.051 1.74 . . . . 74.33 114.404 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.81 -18.43 44.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.234 -0.916 . . . . 74.41 112.144 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 65.7 mttm -112.67 33.52 4.93 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.037 1.735 . . . . 72.1 112.707 -175.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 HD12 ' A' ' 62' ' ' LEU . 96.5 mt -78.75 -23.8 45.17 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 119.889 -1.757 . . . . 75.41 110.692 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.96 -25.56 67.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 126.766 2.026 . . . . 71.25 111.359 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -70.13 -28.97 65.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.405 2.282 . . . . 75.41 111.55 176.777 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.505 HD12 HD21 ' A' ' 59' ' ' LEU . 66.1 mt -68.86 161.56 28.37 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.961 2.104 . . . . 74.31 112.833 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -63.75 131.43 47.85 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.087 -1.008 . . . . 73.54 112.64 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.91 -27.28 69.26 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.623 -1.298 . . . . 72.0 113.306 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.22 -35.05 69.2 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.711 -1.243 . . . . 75.34 113.396 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.19 -12.72 59.11 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.618 -1.301 . . . . 74.01 112.708 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 62.08 27.02 16.31 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.976 2.51 . . . . 75.13 116.45 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.13 122.53 27.47 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.01 -1.681 . . . . 74.05 111.453 178.231 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.58 144.76 36.02 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.59 -2.004 . . . . 75.05 105.59 165.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.96 138.64 54.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.692 1.711 . . . . 75.41 115.152 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.95 -12.31 69.46 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 112.594 -2.094 . . . . 73.15 114.725 -172.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 31.16 6.36 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.861 1.331 . . . . 72.34 110.985 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.11 88.72 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.341 1.237 . . . . 71.34 114.341 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.0 mtp -61.7 -40.42 94.96 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 119.606 1.094 . . . . 72.42 112.768 -175.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.23 -44.87 67.69 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 113.038 0.755 . . . . 73.45 113.038 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.54 -48.14 83.1 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.789 2.035 . . . . 74.3 113.047 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.05 94.18 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.074 -1.016 . . . . 71.42 113.331 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.9 -35.15 79.71 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.908 1.077 . . . . 73.52 113.908 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.21 -28.19 68.97 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.76 -1.213 . . . . 73.23 112.631 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.81 14.15 22.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 125.915 1.686 . . . . 74.15 114.529 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.89 -1.54 63.41 Favored Glycine 0 C--N 1.35 1.357 0 O-C-N 121.128 -0.982 . . . . 51.32 114.075 167.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.19 140.69 58.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 118.472 1.136 . . . . 74.12 111.581 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -80.99 169.82 17.03 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 119.525 -1.984 . . . . 74.44 108.169 168.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -34.81 79.21 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.605 -1.309 . . . . 75.14 112.62 -172.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.7 86.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.362 1.865 . . . . 63.25 112.538 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -68.07 -39.25 83.0 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.482 1.113 . . . . 75.54 112.341 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.21 87.41 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 123.651 0.78 . . . . 72.23 112.985 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.54 -28.4 65.97 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.869 -1.144 . . . . 74.4 111.976 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.05 -43.0 99.54 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 115.314 1.598 . . . . 71.34 115.314 170.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.35 -41.62 98.86 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 121.622 2.01 . . . . 75.13 112.181 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.99 -39.97 95.33 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.756 -1.215 . . . . 74.02 112.006 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.09 -42.42 96.95 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.35 -1.468 . . . . 50.12 112.549 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.66 -45.28 94.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 124.513 1.125 . . . . 75.43 109.925 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -59.76 -53.81 53.66 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 121.787 -0.57 . . . . 72.52 111.61 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.01 -24.88 59.63 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 120.738 -1.226 . . . . 74.21 111.476 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -64.92 -43.86 91.43 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-O 122.715 1.245 . . . . 73.4 111.714 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.453 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.6 m -66.96 -32.25 73.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.669 1.359 . . . . 73.42 114.669 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.49 -26.55 67.98 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 125.174 1.389 . . . . 74.32 112.312 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -77.37 -42.84 34.91 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.08 1.752 . . . . 75.34 110.164 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 97' ' ' CYS . 21.1 m -83.9 -34.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.367 0.667 . . . . 72.42 112.391 -171.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.43 155.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 122.726 1.25 . . . . 75.03 114.103 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -67.14 123.57 20.66 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.882 -1.136 . . . . 74.44 111.718 164.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -104.39 132.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 C-N-CA 128.822 2.849 . . . . 74.23 103.767 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -112.68 128.21 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 N-CA-C 106.103 -1.814 . . . . 71.11 106.103 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.3 89.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.245 1.202 . . . . 73.51 114.245 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -64.25 -38.08 89.78 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.778 1.631 . . . . 73.4 114.583 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -130.56 98.89 19.42 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-O 117.58 -1.2 . . . . 63.14 109.15 -162.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.77 -13.97 38.1 Favored 'Trans proline' 0 C--N 1.326 -0.629 0 CA-C-N 124.048 2.482 . . . . 75.35 112.628 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.2 -45.13 67.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.102 1.361 . . . . 72.51 110.909 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -45.09 96.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.922 -1.111 . . . . 72.5 112.007 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -56.72 -46.38 81.32 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.444 0.565 . . . . 72.4 111.733 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.82 -48.77 70.58 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.712 -1.242 . . . . 74.13 113.82 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -45.45 78.03 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.817 1.247 . . . . 70.41 112.847 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.36 -41.11 98.34 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.027 0.931 . . . . 65.1 109.375 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.02 -46.8 85.88 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.472 -0.767 . . . . 74.4 112.564 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.26 99.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 124.381 1.072 . . . . 70.24 111.072 -173.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -71.09 -29.48 65.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.025 -0.534 . . . . 73.35 111.674 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.4 t -69.58 -46.67 65.81 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-N 120.383 1.447 . . . . 72.14 113.7 166.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.63 -48.07 75.56 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.029 1.492 . . . . 72.44 115.029 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.446 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.2 tptt -62.01 -31.8 72.23 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.628 1.171 . . . . 62.43 112.344 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.63 98.43 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.249 1.023 . . . . 75.01 112.189 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.19 -46.27 71.12 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.17 1.388 . . . . 75.42 114.259 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 120' ' ' LYS . 15.3 pt -66.17 -22.57 30.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.07 -2.269 . . . . 74.12 114.39 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.58 -37.24 85.41 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.546 1.138 . . . . 73.15 111.752 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.28 -26.21 58.59 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.986 0.914 . . . . 74.1 112.664 -174.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.9 151.23 46.83 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.478 2.311 . . . . 75.42 115.483 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -84.59 0.03 51.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.748 -1.569 . . . . 64.32 112.563 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -131.02 154.99 47.6 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.47 -1.678 . . . . 74.1 106.47 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.64 117.68 42.16 Favored Pre-proline 0 N--CA 1.443 -0.806 0 CA-C-O 118.508 -0.758 . . . . 74.53 111.333 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.07 146.85 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.26 1.973 . . . . 63.5 108.901 155.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.5 t -79.69 165.44 22.84 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.822 -0.807 . . . . 75.21 108.822 164.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -30.83 71.48 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.815 -1.178 . . . . 74.12 112.31 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.82 -42.08 92.7 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 112.673 0.62 . . . . 75.11 112.673 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 134' ' ' VAL . 2.3 p -84.42 -44.69 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 126.482 1.913 . . . . 73.34 114.163 174.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.342 -0.849 . . . . 73.34 113.109 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.14 -28.58 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.139 0 O-C-N 120.925 -1.109 . . . . 73.43 108.346 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.8 99.78 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.934 -0.925 . . . . 74.44 113.878 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.98 -36.95 86.07 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.417 1.609 . . . . 73.43 113.242 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.52 -51.56 66.92 Favored 'General case' 0 CA--C 1.481 -1.689 0 N-CA-C 113.369 0.877 . . . . 74.52 113.369 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 56' ' ' ALA . 46.6 mt -69.58 -40.06 76.94 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 114.862 -1.063 . . . . 74.53 111.439 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.28 94.22 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.126 -1.609 . . . . 73.0 113.466 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -95.93 32.99 1.77 Allowed 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.004 -1.06 . . . . 75.42 111.363 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.025 -1.672 . . . . 74.21 114.506 179.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 N--CA 1.455 -0.762 0 CA-C-O 117.622 -1.074 . . . . 73.02 114.747 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.2 mtp -64.77 -43.67 92.49 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.079 1.763 . . . . 75.13 113.567 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.35 -31.51 67.45 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 121.035 -1.04 . . . . 75.3 111.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.08 94.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 113.329 0.863 . . . . 74.03 113.329 168.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.3 m -60.21 -44.19 95.35 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.334 0.97 . . . . 73.22 110.345 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -59.3 -42.94 92.51 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 119.638 -1.914 . . . . 73.43 112.627 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.22 -39.74 47.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.549 1.314 . . . . 75.43 114.549 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.59 -39.7 85.02 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 127.589 2.356 . . . . 75.21 110.209 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -87.7 -6.44 58.21 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.104 -0.953 . . . . 74.11 110.231 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.49 46.22 21.03 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.309 2.244 . . . . 74.54 113.634 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.01 158.2 44.69 Favored Pre-proline 0 C--N 1.349 0.583 0 C-N-CA 124.55 1.14 . . . . 75.42 108.95 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.5 167.11 27.89 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.536 2.157 . . . . 74.32 113.418 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.34 -33.42 73.6 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.063 2.545 . . . . 71.25 109.415 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.41 64.58 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.84 2.456 . . . . 75.52 113.784 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 m -100.0 -26.47 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 120.631 -1.293 . . . . 72.41 111.989 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.2 ptm -65.36 -34.19 77.73 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.551 -1.343 . . . . 73.22 112.282 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -71.49 -22.64 61.77 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.256 1.027 . . . . 73.43 111.88 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.21 -32.81 72.33 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.189 0.996 . . . . 63.35 110.782 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.19 -47.36 86.47 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 113.703 1.001 . . . . 74.34 113.703 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 44.6 p90 -71.68 -30.43 65.68 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 120.068 -1.645 . . . . 75.5 114.704 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.87 -5.01 14.58 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 114.494 1.294 . . . . 75.44 114.494 171.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.357 0.932 0 C-N-CA 124.827 1.251 . . . . 73.11 109.468 170.187 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.763 0.316 . . . . 74.33 111.83 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -87.99 134.54 33.71 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.061 0.944 . . . . 72.43 112.394 -168.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -60.13 -32.81 71.36 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.274 1.829 . . . . 75.22 113.677 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.63 -31.69 72.59 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.71 1.744 . . . . 75.23 115.71 169.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.16 -41.92 89.51 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.952 0.882 . . . . 73.51 110.479 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -41.07 99.91 Favored Glycine 0 CA--C 1.492 -1.395 0 C-N-CA 124.466 1.032 . . . . 62.15 113.76 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.87 -41.51 95.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.178 0.991 . . . . 65.14 111.456 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.2 -41.22 86.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 120.913 -1.117 . . . . 75.04 112.153 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mt -59.06 -45.84 92.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 O-C-N 120.311 -1.493 . . . . 74.2 113.362 -176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.03 -29.18 68.91 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 114.367 1.247 . . . . 71.41 114.367 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.1 t -62.42 -42.36 99.39 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.137 1.375 . . . . 73.32 112.131 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -38.05 83.35 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-N 121.042 1.746 . . . . 73.45 114.322 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -58.45 -37.74 76.06 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 115.035 1.495 . . . . 71.24 115.035 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 -41.83 77.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.115 0.959 . . . . 73.32 112.81 167.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mttm -92.02 43.95 1.15 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.573 -1.329 . . . . 75.53 113.526 -169.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 62' ' ' LEU . 88.3 mt -89.35 -23.36 22.25 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 123.494 1.616 . . . . 71.35 109.75 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.79 -15.78 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.12 1.368 . . . . 54.43 112.397 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -73.83 -25.88 60.31 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.613 1.965 . . . . 73.24 111.928 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 59' ' ' LEU . 62.2 mt -75.11 162.34 28.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.395 2.278 . . . . 64.33 110.83 -172.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.01 142.51 41.84 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 120.646 -1.284 . . . . 71.34 112.909 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -63.38 -28.98 70.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.88 -1.138 . . . . 64.13 113.736 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.61 -36.83 72.29 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.541 -1.35 . . . . 61.05 113.009 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -80.8 -11.52 59.59 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.888 -1.132 . . . . 74.04 112.737 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 62.4 25.67 15.31 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 128.033 2.533 . . . . 72.3 116.546 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.75 122.51 27.76 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 119.959 -1.713 . . . . 73.54 111.119 178.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -142.12 154.55 44.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.155 -1.794 . . . . 63.25 106.155 167.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -72.36 139.63 48.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.746 1.26 . . . . 74.04 112.704 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.61 -14.33 64.28 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 115.833 1.093 . . . . 70.21 115.833 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -115.98 45.14 1.79 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.036 1.418 . . . . 73.34 109.4 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.82 90.63 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 124.742 1.217 . . . . 74.4 113.248 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.69 -40.6 95.57 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 119.686 1.13 . . . . 74.41 112.57 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.26 -44.95 74.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.195 0.813 . . . . 64.51 113.195 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.67 -49.17 78.57 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.137 1.775 . . . . 75.53 113.342 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 124.59 1.156 . . . . 70.13 112.996 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 96.5 mtp -63.93 -36.03 82.61 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 113.822 1.045 . . . . 75.22 113.822 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -61.21 -27.8 68.69 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.655 -1.278 . . . . 74.23 112.595 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.26 13.66 20.6 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 125.668 1.587 . . . . 70.14 114.458 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.94 -0.58 62.62 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 121.039 -1.038 . . . . 74.33 114.251 167.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.42 57.73 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.498 1.149 . . . . 63.55 111.721 164.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -81.34 168.41 18.43 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.494 -2.004 . . . . 72.3 107.875 168.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.07 -35.19 80.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.653 -1.279 . . . . 70.14 112.663 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.81 84.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.221 1.808 . . . . 53.44 112.265 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -70.15 -36.67 74.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.964 -1.085 . . . . 75.14 112.397 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.03 88.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.247 0.832 . . . . 71.51 113.247 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -68.75 -27.64 66.09 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.772 -1.205 . . . . 72.44 112.253 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.96 -42.29 97.99 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 115.152 1.538 . . . . 73.34 115.152 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.04 -41.84 99.61 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 121.641 2.019 . . . . 70.0 112.264 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.03 -40.64 96.77 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.036 -1.04 . . . . 71.03 111.878 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.53 -42.84 98.41 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 120.544 -1.347 . . . . 70.34 112.526 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.39 -45.61 93.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.406 1.083 . . . . 73.22 110.293 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.92 -56.91 16.15 Favored 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 122.106 -0.371 . . . . 71.31 111.989 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 98' ' ' GLU . 91.2 m-70 -68.6 -29.51 68.06 Favored 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 121.424 -0.798 . . . . 75.3 110.865 -174.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -66.42 -43.08 86.71 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.246 1.022 . . . . 73.01 112.219 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.451 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.3 m -65.55 -32.06 73.44 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.096 1.358 . . . . 73.05 114.657 174.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' HA ' ' A' ' 95' ' ' HIS . 40.5 mt-10 -61.09 -29.62 69.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.021 -1.049 . . . . 70.43 111.359 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -70.65 -41.34 72.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.795 2.438 . . . . 74.22 110.098 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 97' ' ' CYS . 26.4 m -94.55 -28.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 115.675 -0.693 . . . . 70.13 111.156 -164.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.6 157.09 6.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-O 122.78 1.276 . . . . 75.31 113.738 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -69.34 124.07 22.87 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.814 -1.179 . . . . 74.21 111.757 164.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.4 mt -104.47 131.93 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 0 C-N-CA 129.413 3.085 . . . . 74.51 103.52 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.34 127.7 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 N-CA-C 106.427 -1.694 . . . . 64.21 106.427 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.58 94.43 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.762 1.393 . . . . 74.35 114.762 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.81 -39.08 93.39 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.317 1.847 . . . . 74.4 112.797 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.55 97.95 18.73 Favored Pre-proline 0 C--N 1.349 0.565 0 CA-C-O 118.103 -0.951 . . . . 72.42 110.857 -159.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.17 -13.7 36.63 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 CA-C-N 123.549 2.303 . . . . 74.31 112.918 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.37 -45.52 72.56 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.04 1.336 . . . . 64.44 110.898 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -45.51 93.68 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.353 1.061 . . . . 74.43 112.609 168.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 m -57.39 -46.41 83.48 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.163 0.892 . . . . 73.15 112.81 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -46.83 75.5 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 117.667 2.469 . . . . 75.23 117.667 169.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -44.58 84.03 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.23 -1.544 . . . . 74.12 112.717 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.75 -41.29 99.13 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.847 0.859 . . . . 75.32 109.385 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.63 -46.8 84.06 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 121.427 -0.795 . . . . 75.44 112.521 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.67 97.56 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.608 1.163 . . . . 71.33 111.038 -174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.0 ptp -67.77 -31.96 72.21 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.015 -0.539 . . . . 72.11 111.482 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -70.69 -46.61 62.83 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 120.246 1.384 . . . . 73.24 113.68 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.75 -48.4 75.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.967 1.469 . . . . 70.22 114.967 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -63.88 -29.63 70.79 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.637 0.732 . . . . 70.33 112.201 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.3 99.11 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 122.335 1.064 . . . . 74.34 111.882 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -67.76 -46.22 72.68 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 125.363 1.465 . . . . 74.55 114.72 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.1 pt -66.77 -21.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 O-C-N 118.542 -2.599 . . . . 74.51 115.78 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.11 -37.89 89.0 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.004 0.921 . . . . 74.02 111.625 168.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -76.17 -25.16 54.98 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 121.416 -0.802 . . . . 74.34 112.952 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.19 153.09 44.44 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.215 2.206 . . . . 73.24 115.178 -174.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -0.17 54.44 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.756 1.222 . . . . 70.14 111.758 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -131.01 154.88 47.71 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 106.771 -1.566 . . . . 74.23 106.771 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.97 118.2 42.86 Favored Pre-proline 0 N--CA 1.443 -0.793 0 CA-C-O 118.57 -0.729 . . . . 74.54 111.352 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.46 152.39 70.83 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.582 2.188 . . . . 74.33 108.849 156.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.6 p -83.2 167.59 17.57 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 106.419 -1.697 . . . . 70.42 106.419 172.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.6 -31.54 72.4 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.252 -1.53 . . . . 74.54 112.526 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -60.65 -40.28 91.46 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.385 -0.822 . . . . 51.32 112.493 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.37 -45.08 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 C-N-CA 126.266 1.827 . . . . 74.43 112.285 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.21 84.21 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 113.275 0.842 . . . . 74.15 113.275 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.94 -27.8 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.081 0 C-N-CA 118.667 -1.213 . . . . 75.41 108.715 175.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.44 99.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.091 -0.838 . . . . 71.12 113.784 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.92 -36.34 84.06 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.216 1.508 . . . . 74.01 113.451 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . 0.267 59.4 mt -62.51 -53.53 53.33 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 121.366 -0.834 . . . . 72.45 112.87 172.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 56' ' ' ALA . 62.0 mt -68.6 -39.7 80.76 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 114.808 -1.087 . . . . 74.3 112.637 -177.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.61 92.37 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.275 -1.515 . . . . 71.41 113.34 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.03 34.72 1.68 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.349 -0.845 . . . . 75.32 111.272 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.261 1.677 0 O-C-N 119.978 -1.701 . . . . 71.13 114.289 178.486 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 118.517 -0.701 . . . . 71.41 113.702 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.2 tpp -70.41 -42.5 71.56 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.949 1.249 . . . . 74.24 112.059 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.21 -32.94 71.07 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.42 1.088 . . . . 74.33 111.81 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.06 95.42 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 121.226 -0.921 . . . . 74.23 111.694 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.0 m -70.5 -1.12 9.92 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.541 1.536 . . . . 75.55 114.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -47.77 7.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 119.618 -1.926 . . . . 75.43 110.1 164.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -79.53 -36.73 38.0 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.564 -1.96 . . . . 73.2 114.599 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -59.35 -38.0 79.28 Favored 'General case' 0 CA--C 1.493 -1.224 0 C-N-CA 128.006 2.522 . . . . 73.33 110.308 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.77 -7.19 57.63 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.214 -1.357 . . . . 74.41 109.255 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.13 46.04 19.69 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.205 2.602 . . . . 71.12 113.52 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.37 160.57 35.48 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 124.537 1.135 . . . . 72.35 110.56 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.0 163.73 37.89 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.582 2.188 . . . . 71.13 113.387 170.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.99 -25.84 68.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.575 2.75 . . . . 65.22 109.862 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.07 77.63 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.092 1.757 . . . . 74.32 113.14 174.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -83.08 -34.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 O-C-N 120.262 -1.524 . . . . 71.14 112.598 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -68.5 -31.78 71.29 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 119.835 -1.791 . . . . 71.3 111.542 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.55 -16.53 60.25 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 121.187 -0.946 . . . . 73.23 112.366 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.9 -37.71 80.2 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.362 -0.836 . . . . 71.21 112.578 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.61 -40.62 92.49 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.052 1.13 . . . . 74.52 114.052 169.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -65.36 -42.34 92.89 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 119.769 -1.832 . . . . 74.44 113.642 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -65.16 -24.99 67.55 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.127 2.171 . . . . 75.13 114.483 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.347 0.459 0 C-N-CA 127.597 2.359 . . . . 74.42 111.887 -179.138 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 CA--C 1.515 -0.403 0 CA-C-O 120.888 0.375 . . . . 71.42 110.042 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -86.12 126.94 34.57 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.319 1.048 . . . . 72.23 108.742 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.66 -34.73 71.55 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.493 1.917 . . . . 72.13 113.056 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.06 -24.03 65.02 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 117.986 2.587 . . . . 73.44 117.986 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.79 68.44 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 119.762 1.165 . . . . 73.52 109.078 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.22 99.28 Favored Glycine 0 CA--C 1.492 -1.381 0 C-N-CA 124.807 1.194 . . . . 64.22 114.648 169.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.9 -37.45 81.73 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 119.183 1.492 . . . . 73.41 111.79 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.88 -41.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 O-C-N 121.119 -0.988 . . . . 64.31 112.052 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.0 mt -59.77 -46.82 93.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 O-C-N 120.419 -1.426 . . . . 70.21 112.748 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 pp -68.4 -27.21 66.02 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 114.81 1.411 . . . . 64.41 114.81 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.58 -44.62 93.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.928 1.291 . . . . 75.52 111.994 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.92 -38.2 90.02 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 121.492 1.951 . . . . 73.43 113.274 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -57.89 -36.69 72.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 115.363 1.616 . . . . 65.45 115.363 -174.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.32 -41.75 63.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.833 0.825 . . . . 74.52 112.455 167.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.8 mttm -91.28 48.39 1.49 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.618 -1.301 . . . . 72.14 113.479 -169.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD21 HD12 ' A' ' 62' ' ' LEU . 83.9 mt -94.25 -10.63 32.3 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.714 1.721 . . . . 75.33 108.98 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.2 -32.47 73.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 128.122 2.569 . . . . 72.55 109.701 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -69.17 -28.07 66.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.224 3.01 . . . . 73.35 111.519 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD12 HD21 ' A' ' 59' ' ' LEU . 73.6 mt -71.75 158.92 35.25 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.399 2.28 . . . . 73.32 111.642 -175.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.71 148.73 28.82 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 120.832 -1.167 . . . . 53.33 110.369 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -61.25 -31.78 71.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.33 1.233 . . . . 74.23 114.33 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.19 -29.47 68.72 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.635 -1.291 . . . . 72.35 114.335 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ptp -84.55 -6.94 59.41 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.704 1.138 . . . . 74.23 112.343 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.3 m120 65.57 16.89 10.72 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.794 2.838 . . . . 74.14 116.129 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -85.26 122.76 29.91 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.953 -1.717 . . . . 72.51 110.976 -176.219 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -140.5 151.3 44.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.565 -1.642 . . . . 75.3 106.565 165.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.466 ' HE1' ' CG2' ' A' ' 143' ' ' THR . 10.9 t60 -65.47 132.85 49.97 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.168 0.987 . . . . 73.5 111.03 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.72 58.94 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.21 0.91 . . . . 74.22 114.77 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -100.92 23.64 10.38 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.228 1.411 . . . . 74.3 111.392 -167.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.95 78.84 Favored 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 125.677 1.591 . . . . 74.23 114.136 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 65.4 mtt -60.87 -39.62 89.89 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.866 0.757 . . . . 72.22 112.415 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -75.24 -44.37 46.47 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.538 0.735 . . . . 74.32 112.893 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.91 -47.78 84.37 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.074 2.149 . . . . 64.15 113.212 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.18 95.65 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 121.127 -0.983 . . . . 65.25 112.98 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.77 -36.52 84.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.189 0.996 . . . . 73.13 113.607 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -61.61 -28.46 69.38 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.825 -1.172 . . . . 73.23 112.596 172.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.59 13.74 23.19 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.739 1.616 . . . . 74.44 114.775 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.6 1.34 64.0 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.017 -1.052 . . . . 74.25 114.346 167.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.25 140.96 57.39 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.487 1.144 . . . . 64.51 111.006 163.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -82.77 171.59 13.79 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.756 -1.84 . . . . 73.03 108.396 170.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.87 -32.71 74.54 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.393 -1.442 . . . . 74.23 112.903 -171.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.8 -45.81 73.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.778 1.631 . . . . 72.42 112.249 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -64.37 -40.93 96.82 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.427 1.891 . . . . 73.41 113.377 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.97 88.09 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.919 0.866 . . . . 74.51 112.841 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -27.52 61.83 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.567 -1.333 . . . . 74.2 111.99 175.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -43.13 98.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.466 1.654 . . . . 75.22 115.466 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.28 -40.94 98.8 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.866 2.121 . . . . 74.42 112.168 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.18 -40.45 96.13 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.987 -1.071 . . . . 71.25 112.008 172.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.54 ' HA ' ' HD2' ' A' ' 95' ' ' HIS . 39.0 t70 -65.02 -40.26 94.62 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.122 1.369 . . . . 73.11 113.867 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.39 -45.84 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 120.616 -1.303 . . . . 70.54 110.469 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -66.67 -44.5 81.63 Favored 'General case' 0 CA--C 1.492 -1.259 0 C-N-CA 118.569 -1.252 . . . . 75.03 109.023 -171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 92' ' ' ASP . 2.4 p80 -64.73 -34.79 79.14 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.812 1.292 . . . . 73.0 108.382 -171.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 t -66.08 -39.76 90.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.334 -1.757 . . . . 75.03 112.248 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.452 ' HA ' HG23 ' A' ' 100' ' ' VAL . 36.1 m -69.72 -36.83 76.22 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.209 1.189 . . . . 73.03 114.209 169.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.43 -32.49 71.41 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.665 -1.272 . . . . 55.44 112.118 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -82.93 -20.08 36.01 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.617 1.167 . . . . 72.13 111.758 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 97' ' ' CYS . 30.8 m -100.85 -32.13 3.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 O-C-N 121.492 -0.755 . . . . 72.22 111.248 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -69.78 154.22 8.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 122.811 1.291 . . . . 70.42 114.36 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -66.7 126.34 28.68 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.911 -1.118 . . . . 61.12 112.093 165.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.9 mt -111.32 132.46 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 C-N-CA 129.298 3.039 . . . . 74.13 103.317 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 t -115.45 127.72 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 105.926 -1.879 . . . . 73.42 105.926 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.42 91.84 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.404 1.261 . . . . 73.34 114.404 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -64.9 -37.89 89.16 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.532 1.533 . . . . 71.14 114.309 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -128.56 92.24 41.27 Favored Pre-proline 0 C--N 1.35 0.614 0 CA-C-O 118.017 -0.992 . . . . 64.31 109.565 -163.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.87 -13.54 38.77 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.635 2.224 . . . . 75.23 112.676 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.79 -44.13 78.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.125 1.37 . . . . 70.05 110.733 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.7 95.54 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.575 1.15 . . . . 64.44 111.138 173.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 79.3 m -56.45 -46.87 80.1 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 112.658 0.614 . . . . 74.52 112.658 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -46.78 76.53 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 116.579 2.066 . . . . 74.3 116.579 171.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -45.06 87.97 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.465 -1.397 . . . . 73.43 112.875 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.23 -41.82 99.16 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.009 0.923 . . . . 73.11 109.828 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.94 -46.8 86.04 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 121.628 -0.67 . . . . 75.53 112.161 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.91 98.91 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.885 1.274 . . . . 54.44 110.414 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -73.86 -28.89 61.81 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.761 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.9 t -70.22 -46.12 65.14 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.678 -1.264 . . . . 74.34 113.422 166.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.409 ' CD1' HD12 ' A' ' 139' ' ' LEU . 72.7 t80 -55.0 -47.45 74.65 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 115.255 1.576 . . . . 74.43 115.255 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HA ' HG12 ' A' ' 123' ' ' ILE . 33.3 ttpt -61.56 -33.15 73.35 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-O 122.077 0.942 . . . . 75.53 110.951 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 122.481 1.134 . . . . 71.25 112.118 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.82 -46.15 69.37 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 125.084 1.354 . . . . 74.02 114.467 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 120' ' ' LYS . 18.6 pt -66.33 -22.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 O-C-N 119.139 -2.226 . . . . 74.55 114.29 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.77 -40.85 96.6 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.697 1.199 . . . . 65.12 111.683 169.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -72.02 -27.49 62.76 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.927 0.891 . . . . 75.21 113.218 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 mt -68.16 152.09 46.01 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 127.055 2.142 . . . . 75.22 115.389 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -87.34 1.02 54.53 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.875 1.27 . . . . 73.35 111.754 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -130.48 154.84 47.35 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 106.521 -1.659 . . . . 75.24 106.521 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.34 118.65 43.48 Favored Pre-proline 0 N--CA 1.445 -0.702 0 CA-C-O 118.551 -0.738 . . . . 74.21 111.66 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.5 153.87 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.505 2.137 . . . . 61.04 108.803 155.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -84.22 168.18 15.97 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 106.27 -1.752 . . . . 75.41 106.27 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.97 -33.36 74.15 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.235 -1.54 . . . . 71.44 112.471 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -60.4 -40.68 91.79 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.419 -0.801 . . . . 72.22 112.277 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -85.37 -45.26 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 126.278 1.831 . . . . 63.42 112.881 176.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.07 85.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 121.399 -0.813 . . . . 52.14 113.007 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.25 -29.87 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 119.02 -1.072 . . . . 72.35 108.663 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.78 99.56 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 121.53 -0.731 . . . . 70.13 114.047 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.24 -38.27 90.43 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.583 1.191 . . . . 74.2 113.208 174.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 119' ' ' PHE . 43.9 mt -64.71 -50.45 66.9 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.438 1.095 . . . . 75.55 113.315 173.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 52.6 mt -67.81 -39.37 83.98 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.934 -1.03 . . . . 62.24 111.735 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.04 95.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 114.584 1.327 . . . . 72.12 114.584 171.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -98.15 38.29 1.34 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.607 -1.308 . . . . 72.52 112.106 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.466 ' CG2' ' HE1' ' A' ' 70' ' ' HIS . 15.2 t . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.544 -1.972 . . . . 74.14 112.916 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.778 0 CA-C-O 118.202 -0.833 . . . . 72.53 113.472 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.9 mtp -68.81 -43.41 75.66 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.372 1.442 . . . . 75.1 112.569 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.23 -31.56 67.71 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 121.335 -0.853 . . . . 75.35 111.992 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.62 92.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.237 1.015 . . . . 73.3 112.565 173.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.0 m -75.73 -0.15 19.86 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.29 . . . . 70.12 113.239 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.77 -48.38 8.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 119.425 -2.047 . . . . 75.45 109.869 164.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -81.18 -36.14 30.53 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.071 -1.643 . . . . 74.43 114.367 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.43 -38.25 80.18 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 127.158 2.183 . . . . 73.44 110.919 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.23 -9.52 52.7 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 113.865 -1.516 . . . . 63.11 109.215 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.24 46.82 15.14 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.965 2.106 . . . . 73.11 113.226 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.27 157.07 47.99 Favored Pre-proline 0 C--N 1.347 0.461 0 C-N-CA 124.467 1.107 . . . . 72.34 108.702 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.07 167.02 27.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.423 2.082 . . . . 74.21 113.103 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.08 -24.76 67.82 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.361 2.664 . . . . 71.52 109.985 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.98 69.65 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 126.987 2.115 . . . . 75.52 113.637 175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.59 -24.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 118.642 -1.223 . . . . 73.04 111.735 -171.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -67.56 -30.45 70.08 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.158 -1.589 . . . . 64.12 110.892 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -73.66 -21.08 60.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.795 0.807 . . . . 63.03 112.176 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.18 -38.17 85.56 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.284 -0.885 . . . . 72.11 112.585 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.2 t80 -59.93 -44.24 94.45 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 114.304 1.224 . . . . 75.02 114.304 174.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 46.5 p90 -72.37 -33.91 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 116.349 1.981 . . . . 74.33 116.349 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.32 -19.98 65.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.922 1.689 . . . . 64.43 114.91 169.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--N 1.349 0.579 0 C-N-CA 127.135 2.174 . . . . 73.35 111.252 177.274 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.081 0.467 . . . . 65.23 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -90.1 132.4 35.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.052 0.941 . . . . 74.44 111.642 -165.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.26 -32.52 71.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.711 1.604 . . . . 72.2 113.9 -174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -62.18 -29.12 70.14 Favored 'General case' 0 CA--C 1.493 -1.238 0 N-CA-C 115.597 1.703 . . . . 75.34 115.597 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.08 86.58 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 118.702 0.683 . . . . 74.44 112.085 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.95 92.96 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 120.154 -1.591 . . . . 74.14 113.17 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.9 m -63.55 -41.76 98.41 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.478 1.111 . . . . 65.42 110.73 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.11 -42.32 84.93 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 121.445 -0.784 . . . . 63.44 111.831 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.3 mt -59.87 -46.2 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 O-C-N 120.701 -1.249 . . . . 73.32 112.966 -174.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.29 -29.16 68.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 113.711 1.004 . . . . 71.42 113.711 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.04 -41.68 99.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.912 1.685 . . . . 42.14 112.56 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.09 -37.28 79.48 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 121.241 1.837 . . . . 74.22 113.857 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -55.46 -38.29 68.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.043 1.497 . . . . 75.01 115.043 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.06 -38.59 79.15 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.042 0.925 . . . . 74.03 113.247 170.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.1 mttm -97.68 33.47 2.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.19 1.796 . . . . 75.33 112.743 -167.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD21 HD12 ' A' ' 62' ' ' LEU . 95.0 mt -77.98 -31.08 50.54 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 120.163 -1.586 . . . . 74.52 111.154 -177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.34 -14.96 55.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.129 1.372 . . . . 65.23 113.138 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.3 mt -76.02 -27.62 57.43 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.034 1.734 . . . . 70.2 111.716 172.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 HD12 HD21 ' A' ' 59' ' ' LEU . 62.6 mt -67.81 163.29 22.13 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.0 2.52 . . . . 75.24 112.203 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.45 122.1 15.42 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.192 -0.942 . . . . 74.32 111.769 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.164 1.386 . . . . 64.4 113.733 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -55.92 -34.91 66.03 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 125.117 1.367 . . . . 75.13 113.616 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 ptp -79.41 -15.47 57.78 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 120.695 -1.253 . . . . 73.15 111.788 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 61.23 34.35 18.76 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.289 2.636 . . . . 70.43 116.428 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.88 122.28 27.02 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.205 -1.559 . . . . 73.51 110.925 176.776 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.45 150.42 43.8 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.22 -1.03 . . . . 72.42 108.22 165.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.38 129.52 40.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 122.375 1.083 . . . . 74.43 113.437 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 -10.99 73.15 Favored Glycine 0 C--N 1.35 1.327 0 C-N-CA 125.193 1.377 . . . . 74.23 115.469 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.39 24.41 12.18 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.191 1.496 . . . . 65.34 111.759 -169.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.79 84.0 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 114.256 1.206 . . . . 50.43 114.256 -171.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.82 -40.51 93.05 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.444 1.02 . . . . 71.12 112.38 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -73.62 -44.5 56.89 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 113.297 0.851 . . . . 72.53 113.297 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.38 -46.96 88.1 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 127.081 2.152 . . . . 62.5 113.076 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.95 90.67 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.946 -1.096 . . . . 71.41 113.732 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 72.8 mtm -63.6 -35.46 80.59 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 113.986 1.106 . . . . 71.24 113.986 173.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.29 -27.3 68.38 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.797 -1.189 . . . . 74.24 112.439 172.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -95.87 14.15 24.39 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.905 1.682 . . . . 62.53 114.867 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.98 -0.12 64.17 Favored Glycine 0 C--N 1.35 1.327 0 O-C-N 121.002 -1.061 . . . . 72.43 114.004 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 140.96 58.13 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.292 1.046 . . . . 74.32 111.23 163.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -81.99 171.77 14.03 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.583 -1.948 . . . . 74.12 107.957 168.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.02 -34.23 77.54 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.504 -1.372 . . . . 72.32 112.566 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.9 83.56 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.693 1.997 . . . . 72.13 112.822 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -67.78 -38.99 84.1 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.484 1.113 . . . . 72.34 112.012 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.07 83.29 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.723 0.773 . . . . 73.32 112.691 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -69.53 -29.52 67.14 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.86 -1.15 . . . . 75.4 112.136 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.13 -43.47 98.83 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 115.451 1.649 . . . . 74.43 115.451 170.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.84 -41.37 97.84 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 121.584 1.993 . . . . 64.35 112.324 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.32 -40.37 97.13 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.976 -1.078 . . . . 73.11 111.892 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.38 -42.73 96.0 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.295 -1.503 . . . . 64.45 112.497 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.42 -45.28 93.7 Favored 'Isoleucine or valine' 0 C--N 1.362 1.133 0 C-N-CA 124.861 1.264 . . . . 75.3 109.95 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HG3' HD11 ' A' ' 115' ' ' LEU . 68.3 tttt -59.4 -51.98 67.6 Favored 'General case' 0 CA--C 1.487 -1.476 0 O-C-N 121.714 -0.616 . . . . 73.11 111.826 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.549 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 88.6 m-70 -74.94 -26.61 59.73 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 120.854 -1.154 . . . . 60.42 111.075 -175.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -67.58 -41.47 84.07 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 114.504 1.298 . . . . 72.11 114.504 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.457 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.2 m -67.28 -41.24 85.82 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 115.289 1.589 . . . . 75.34 115.289 169.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.549 ' CG ' ' HA ' ' A' ' 95' ' ' HIS . 1.3 pp20? -69.08 -17.51 63.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.366 -1.459 . . . . 64.21 113.94 -171.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -86.82 -21.43 26.45 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.417 0.687 . . . . 72.3 112.781 173.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 97' ' ' CYS . 32.6 m -97.34 -28.09 3.77 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 O-C-N 120.785 -1.197 . . . . 74.34 111.667 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -69.94 157.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 N-CA-C 115.147 1.536 . . . . 72.21 115.147 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.0 m -67.57 127.66 33.56 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.341 1.067 . . . . 64.44 112.532 164.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.8 mt -114.17 132.52 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.67 0 C-N-CA 129.782 3.233 . . . . 73.12 103.099 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 t -115.09 127.98 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 105.758 -1.941 . . . . 73.41 105.758 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.43 92.22 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 114.546 1.313 . . . . 74.23 114.546 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -65.3 -37.78 88.21 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.577 1.551 . . . . 52.01 114.623 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -125.92 96.65 37.05 Favored Pre-proline 0 C--N 1.349 0.556 0 CA-C-O 117.811 -1.09 . . . . 74.22 108.368 -163.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.56 -12.59 33.61 Favored 'Trans proline' 0 C--N 1.33 -0.443 0 CA-C-N 123.843 2.408 . . . . 71.41 112.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.6 m -74.0 -43.5 57.82 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.009 1.324 . . . . 74.32 110.458 -173.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -44.18 97.5 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.983 -1.073 . . . . 74.4 111.401 173.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.9 m -54.55 -46.98 73.74 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.61 0.764 . . . . 74.44 111.11 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.21 -47.91 63.52 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.63 -1.293 . . . . 74.33 114.227 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.38 81.57 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.489 1.515 . . . . 71.41 112.717 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.91 -41.47 97.94 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.955 0.902 . . . . 73.11 109.334 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.4 HD11 ' HG3' ' A' ' 94' ' ' LYS . 1.9 tm? -63.78 -46.22 86.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.441 -0.787 . . . . 72.24 112.934 174.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.35 98.66 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 124.651 1.18 . . . . 74.43 110.909 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 15.8 ptp -69.38 -30.91 69.0 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 118.999 -0.524 . . . . 75.12 111.118 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.0 t -71.11 -46.12 62.32 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 120.218 1.372 . . . . 73.2 113.24 168.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.6 -48.53 72.05 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 114.883 1.438 . . . . 75.32 114.883 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 123' ' ' ILE . 29.0 tptp -62.75 -30.61 71.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.352 1.061 . . . . 75.02 112.487 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.492 1.139 . . . . 74.02 112.397 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -68.23 -46.35 70.78 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.87 1.268 . . . . 60.55 114.139 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 120' ' ' LYS . 17.1 pt -66.74 -22.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 119.178 -2.201 . . . . 72.25 114.082 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.22 -41.44 98.39 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 124.661 1.184 . . . . 71.44 111.898 168.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.3 -25.35 57.85 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 113.282 0.845 . . . . 75.15 113.282 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.6 mt -67.04 152.57 45.54 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.305 2.242 . . . . 75.14 115.225 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.93 1.06 53.9 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.866 1.266 . . . . 74.12 111.747 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -129.24 154.87 46.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 106.616 -1.624 . . . . 73.11 106.616 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.32 118.64 39.52 Favored Pre-proline 0 N--CA 1.445 -0.709 0 CA-C-O 118.444 -0.789 . . . . 71.44 111.444 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.71 147.57 63.5 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.466 2.11 . . . . 64.52 109.165 156.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.1 t -80.43 167.31 20.34 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 109.026 -0.731 . . . . 74.24 109.026 164.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.74 -33.36 73.91 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.799 -1.188 . . . . 75.33 111.822 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -59.27 -41.48 88.98 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.59 0.756 . . . . 74.01 112.134 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.77 -44.63 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 C-N-CA 126.678 1.991 . . . . 71.32 114.492 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.69 -47.89 79.37 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.591 0.96 . . . . 75.32 113.591 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 m -79.17 -28.63 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 120.751 -1.218 . . . . 74.31 108.232 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.13 -44.14 97.64 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.105 -0.83 . . . . 61.22 114.299 -173.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.107 1.453 . . . . 72.2 113.217 175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.06 -55.29 30.54 Favored 'General case' 0 CA--C 1.478 -1.826 0 O-C-N 121.663 -0.648 . . . . 64.24 112.61 170.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 72.7 mt -67.14 -40.58 86.76 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.652 -0.704 . . . . 73.11 112.725 -176.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.61 84.42 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.505 -1.372 . . . . 73.41 113.704 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.19 0.84 55.59 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 121.309 -0.869 . . . . 73.33 111.935 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.26 1.616 0 O-C-N 120.526 -1.359 . . . . 74.25 113.025 177.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 N--CA 1.454 -0.797 0 CA-C-O 118.557 -0.685 . . . . 74.53 113.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.1 tpt -71.04 -42.63 69.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.592 1.087 . . . . 71.41 111.494 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.91 -32.36 69.28 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.587 1.155 . . . . 71.11 112.018 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.71 96.42 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.152 0.981 . . . . 74.11 113.027 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.7 m -60.37 -44.64 95.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.384 -0.822 . . . . 73.54 110.377 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.41 -43.28 93.05 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.908 -1.745 . . . . 74.2 111.756 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.56 -40.46 42.33 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.849 1.426 . . . . 74.31 114.849 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.76 -39.47 88.88 Favored 'General case' 0 CA--C 1.486 -1.505 0 C-N-CA 126.705 2.002 . . . . 63.03 110.574 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.5 mt -82.87 -7.44 59.66 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.816 -1.084 . . . . 71.52 110.393 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 57.1 45.28 21.1 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.545 2.338 . . . . 73.35 113.362 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.57 158.0 46.29 Favored Pre-proline 0 C--N 1.351 0.638 0 C-N-CA 124.059 0.944 . . . . 73.1 109.497 -173.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.96 166.06 30.02 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.264 1.976 . . . . 74.44 113.443 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.06 -26.43 68.55 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 128.316 2.646 . . . . 74.51 109.93 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.89 72.13 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.279 1.832 . . . . 72.24 113.837 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 m -99.57 -22.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 O-C-N 120.196 -1.565 . . . . 72.12 111.974 -172.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.86 -31.91 72.06 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 120.094 -1.629 . . . . 75.21 111.089 169.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -76.21 -16.83 59.76 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.069 -1.019 . . . . 74.41 112.711 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.74 -38.0 80.52 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.316 -0.865 . . . . 74.25 112.641 169.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.28 -41.58 93.65 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.502 1.297 . . . . 75.52 114.502 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -66.48 -41.46 88.94 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 119.916 -1.74 . . . . 74.41 113.364 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -65.15 -25.5 67.77 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.985 1.714 . . . . 75.41 114.334 171.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--N 1.348 0.51 0 C-N-CA 126.789 2.035 . . . . 75.24 111.845 -177.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 121.08 0.467 . . . . 64.51 111.345 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -85.55 131.65 34.32 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 124.149 0.98 . . . . 71.4 112.324 -160.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -59.29 -32.86 70.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 126.889 2.076 . . . . 71.43 113.131 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.07 -31.48 72.62 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 116.185 1.92 . . . . 74.32 116.185 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.35 90.25 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.762 0.71 . . . . 65.13 111.072 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -38.38 95.52 Favored Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.33 -1.481 . . . . 62.55 113.106 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.51 -41.44 98.53 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.702 0.801 . . . . 62.14 110.86 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -68.27 -41.89 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 O-C-N 121.281 -0.887 . . . . 75.33 112.046 172.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.03 -45.84 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 O-C-N 120.818 -1.177 . . . . 72.14 111.94 -173.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 pp -68.39 -27.91 66.64 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 114.399 1.259 . . . . 73.35 114.399 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.31 -43.16 99.48 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.637 1.575 . . . . 63.53 112.171 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.08 -36.84 80.72 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 120.894 1.679 . . . . 74.11 113.433 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -55.16 -38.91 68.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.487 1.515 . . . . 63.25 114.878 -175.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.32 -36.6 71.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 122.223 1.011 . . . . 73.41 112.641 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.0 mttm -97.57 32.86 2.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.883 1.673 . . . . 73.34 112.631 -167.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 62' ' ' LEU . 95.0 mt -79.52 -28.63 41.33 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 119.966 -1.709 . . . . 74.3 110.87 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.88 -14.92 57.26 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.997 1.319 . . . . 71.44 112.851 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -74.71 -27.15 60.26 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.297 1.839 . . . . 65.01 111.645 172.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 59' ' ' LEU . 55.1 mt -69.86 164.55 23.49 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 127.854 2.462 . . . . 71.04 110.941 -174.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -66.2 135.17 54.13 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.722 -1.236 . . . . 72.23 110.255 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.13 -27.77 68.63 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.18 -0.95 . . . . 74.31 112.89 173.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.79 -34.05 72.51 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.561 -1.337 . . . . 75.2 113.39 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.5 ptm -81.71 -11.28 59.11 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.955 -1.09 . . . . 73.54 112.213 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 60.8 29.83 19.27 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.172 2.589 . . . . 71.21 116.322 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.461 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.99 121.9 27.11 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.19 -1.569 . . . . 75.22 110.926 175.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -139.41 153.12 47.55 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.284 -1.006 . . . . 72.45 108.284 164.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.34 128.06 34.69 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.473 1.13 . . . . 64.11 113.039 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.33 -10.7 72.88 Favored Glycine 0 C--N 1.347 1.185 0 C-N-CA 125.301 1.429 . . . . 52.2 115.175 -174.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.68 26.67 9.69 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.045 1.423 . . . . 72.25 112.029 -167.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.24 85.75 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.572 1.323 . . . . 74.52 114.572 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mtm -61.15 -39.79 91.4 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.236 0.926 . . . . 73.24 112.735 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -72.9 -44.69 60.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 121.749 0.785 . . . . 74.12 113.064 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.91 -46.6 89.98 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 127.399 2.279 . . . . 71.12 113.321 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.71 99.35 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 120.212 -1.555 . . . . 73.35 112.92 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -37.91 89.09 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 114.81 1.411 . . . . 75.41 114.81 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.277 48.8 tptt -59.98 -34.44 73.3 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 125.892 1.677 . . . . 75.11 113.373 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -89.29 13.86 12.44 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.555 1.542 . . . . 74.13 115.043 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.2 0.54 61.49 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.997 -1.064 . . . . 72.34 114.113 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.39 49.05 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 118.295 1.047 . . . . 70.23 110.438 163.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -84.7 -177.68 6.66 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.721 -2.487 . . . . 74.2 110.875 161.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.16 -24.69 67.77 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.933 -1.03 . . . . 71.23 111.018 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.68 -43.79 30.06 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.456 1.122 . . . . 44.51 112.312 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 mtt -66.94 -39.65 87.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.727 1.611 . . . . 74.24 112.566 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.39 80.27 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.78 0.8 . . . . 70.43 113.03 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -31.08 70.83 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.138 -0.976 . . . . 72.1 111.759 174.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.35 -44.66 96.81 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 115.803 1.779 . . . . 71.5 115.803 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.1 mt -64.26 -41.15 97.08 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 121.884 2.129 . . . . 74.34 112.396 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.73 -39.96 95.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.927 -1.108 . . . . 75.2 111.876 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.33 -42.83 96.1 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.338 -1.476 . . . . 73.31 112.72 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.53 -45.28 94.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 C-N-CA 124.133 0.973 . . . . 73.54 110.09 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -59.39 -53.86 53.31 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 121.754 -0.591 . . . . 71.4 111.514 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -71.71 -27.63 63.15 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.127 -0.983 . . . . 72.35 110.254 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -66.14 -41.15 90.84 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 122.631 1.205 . . . . 73.05 112.667 172.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.449 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.9 m -67.76 -35.37 78.58 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.093 1.145 . . . . 73.45 114.093 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.12 -29.22 68.48 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.025 1.33 . . . . 72.14 113.051 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -87.07 -19.31 28.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 112.22 0.452 . . . . 74.52 112.22 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 97' ' ' CYS . 30.5 m -100.8 -30.9 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 121.34 -0.85 . . . . 65.43 111.173 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.29 155.57 7.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-O 122.785 1.279 . . . . 74.51 114.441 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 m -69.03 126.78 30.9 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.979 -1.076 . . . . 74.11 111.98 164.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.7 mt -110.0 132.22 58.85 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.666 0 C-N-CA 129.396 3.079 . . . . 71.43 103.253 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.5 t -112.88 128.51 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 N-CA-C 105.641 -1.985 . . . . 63.43 105.641 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.67 91.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.601 1.334 . . . . 55.1 114.601 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.4 -37.48 87.09 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 125.404 1.482 . . . . 65.13 114.733 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -128.5 92.1 41.84 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-O 118.365 -0.826 . . . . 74.21 109.032 -162.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -69.25 -13.69 36.39 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 122.735 2.29 . . . . 75.21 112.545 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -69.9 -43.43 71.78 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.819 1.248 . . . . 73.24 110.622 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -44.96 96.18 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.127 0.971 . . . . 74.02 110.929 172.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.6 m -55.92 -46.58 78.4 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 111.976 0.361 . . . . 74.11 111.976 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.6 tpt -66.58 -48.04 70.85 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.597 -1.315 . . . . 74.1 113.818 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -44.68 82.65 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.189 1.395 . . . . 71.12 112.806 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.45 -41.51 98.8 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.177 0.991 . . . . 75.11 109.442 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.98 -46.99 85.07 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 121.489 -0.757 . . . . 73.02 112.363 174.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.23 98.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.953 1.301 . . . . 75.54 111.146 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -71.5 -29.35 64.7 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 119.188 -0.434 . . . . 74.35 110.982 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -70.22 -46.44 64.5 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 119.921 1.237 . . . . 63.23 113.489 167.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.17 -47.12 75.63 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 114.877 1.436 . . . . 72.32 114.877 174.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 123' ' ' ILE . 76.2 tttt -61.68 -34.23 75.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.429 1.092 . . . . 75.15 111.163 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.53 99.02 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.531 1.158 . . . . 74.12 112.014 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.93 -46.66 70.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 115.144 1.535 . . . . 74.42 115.144 173.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' A' ' 120' ' ' LYS . 16.5 pt -66.48 -22.16 29.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 119.034 -2.291 . . . . 74.12 114.435 174.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.58 -40.63 95.46 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.966 1.306 . . . . 74.32 111.771 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -74.47 -25.3 59.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.911 0.884 . . . . 74.44 113.036 -173.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 mt -69.1 152.92 44.57 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.225 2.21 . . . . 73.31 115.282 -172.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.16 1.66 52.35 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.809 1.244 . . . . 62.12 111.363 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -131.18 155.29 47.29 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 106.763 -1.569 . . . . 74.4 106.763 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.91 118.93 41.96 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-O 118.576 -0.726 . . . . 70.34 111.034 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.68 152.32 69.68 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.436 2.091 . . . . 73.34 108.711 155.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 28.6 p -83.32 167.97 17.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 106.193 -1.781 . . . . 72.24 106.193 171.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -32.34 72.76 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.34 -1.475 . . . . 75.33 112.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.17 -40.03 88.52 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.621 0.768 . . . . 75.25 112.537 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -88.57 -44.41 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.421 1.888 . . . . 72.34 112.084 178.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.29 79.9 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 113.479 0.918 . . . . 75.3 113.479 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.42 -27.43 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 C-N-CA 118.677 -1.209 . . . . 75.42 108.232 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.75 -43.04 99.54 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.088 -0.84 . . . . 60.33 114.114 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.52 -36.75 85.2 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.297 1.548 . . . . 74.25 113.699 174.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.03 -55.09 32.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 121.404 -0.81 . . . . 75.31 112.508 171.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 67.1 mt -67.42 -38.08 84.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.605 -0.725 . . . . 74.25 112.498 -175.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.82 96.14 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.1 1.148 . . . . 73.24 114.1 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.9 -32.81 65.6 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 121.167 -0.958 . . . . 63.13 111.612 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.259 1.59 0 N-CA-C 115.101 1.519 . . . . 73.5 115.101 -178.025 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 114.794 1.036 . . . . 72.42 114.794 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -68.04 -42.59 80.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.847 1.658 . . . . 72.04 112.373 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.78 -30.45 65.57 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 120.667 -1.271 . . . . 74.43 111.978 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.76 99.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 113.323 0.86 . . . . 73.02 113.323 168.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 98.3 m -60.2 -43.57 95.83 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.958 -1.089 . . . . 62.11 110.309 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -43.57 89.92 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.726 -1.859 . . . . 74.53 112.246 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -77.56 -40.69 41.54 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 115.001 1.482 . . . . 74.5 115.001 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -60.28 -39.31 86.41 Favored 'General case' 0 CA--C 1.49 -1.352 0 C-N-CA 127.048 2.139 . . . . 73.41 110.452 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -86.02 -7.06 58.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.98 -1.009 . . . . 73.31 110.516 -177.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m120 56.52 46.21 20.98 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.002 2.121 . . . . 73.35 113.72 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.53 158.5 43.17 Favored Pre-proline 0 C--N 1.35 0.614 0 C-N-CA 124.659 1.184 . . . . 72.03 108.921 -174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.31 164.63 35.04 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.411 2.074 . . . . 74.43 113.527 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.11 -30.95 71.37 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 129.001 2.921 . . . . 73.32 109.249 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.25 71.44 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 127.498 2.319 . . . . 64.12 114.265 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -98.13 -24.67 4.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.163 -1.586 . . . . 65.21 112.261 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -32.99 73.95 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.171 -1.581 . . . . 75.31 110.369 170.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.1 pp0? -72.95 -19.61 61.21 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-O 121.96 0.886 . . . . 71.21 112.451 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.35 -38.29 88.94 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 113.951 1.093 . . . . 71.34 113.951 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.457 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.5 t80 -60.62 -46.04 91.77 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.087 1.143 . . . . 75.52 114.087 175.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.7 p90 -72.36 -32.66 66.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 115.271 1.582 . . . . 74.34 115.271 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.95 -14.62 60.58 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.935 1.457 . . . . 71.34 114.935 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.355 0.805 0 C-N-CA 125.431 1.492 . . . . 73.12 109.688 174.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 CA--C 1.514 -0.416 0 CA-C-O 120.79 0.328 . . . . 62.43 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.34 133.83 33.98 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 121.341 -0.849 . . . . 72.34 111.821 -163.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.73 -33.47 71.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.278 1.831 . . . . 73.14 113.221 -173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.88 -29.04 70.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 116.541 2.052 . . . . 72.02 116.541 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.7 -42.29 83.42 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 118.947 0.794 . . . . 63.33 111.674 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.37 94.22 Favored Glycine 0 CA--C 1.494 -1.279 0 O-C-N 120.095 -1.628 . . . . 61.41 113.108 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.75 -42.18 97.89 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.814 1.246 . . . . 75.44 110.733 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.54 -42.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 121.343 -0.848 . . . . 75.11 111.654 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.457 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.5 mt -59.29 -45.59 93.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 O-C-N 120.271 -1.518 . . . . 71.43 113.094 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.94 -28.49 68.33 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 114.135 1.161 . . . . 73.33 114.135 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.27 1.428 . . . . 63.45 112.625 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.85 -36.72 79.86 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-N 121.031 1.742 . . . . 75.35 113.584 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -56.67 -38.3 72.02 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 115.353 1.612 . . . . 74.14 115.353 -175.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.91 -41.06 71.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 122.071 0.939 . . . . 74.14 112.913 168.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 96.8 mttt -91.72 45.19 1.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.559 -1.338 . . . . 75.3 113.453 -168.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 HD12 ' A' ' 62' ' ' LEU . 85.9 mt -91.47 -22.29 20.48 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 123.241 1.496 . . . . 73.24 109.722 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -16.75 63.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.978 1.311 . . . . 73.14 112.035 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -70.89 -27.94 64.18 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.753 2.021 . . . . 73.31 111.892 171.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD12 HD21 ' A' ' 59' ' ' LEU . 52.0 mt -75.39 160.7 29.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.334 2.254 . . . . 73.51 110.856 -172.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.66 144.05 34.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.815 -1.178 . . . . 61.45 109.915 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.07 -28.27 68.95 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.173 1.175 . . . . 74.13 114.173 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.2 -35.65 71.94 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.479 -1.388 . . . . 74.41 113.514 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.43 -17.37 56.47 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.777 -1.202 . . . . 75.14 112.747 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 65.94 24.37 11.17 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.453 2.701 . . . . 74.42 117.359 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.12 122.27 27.15 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.888 -1.758 . . . . 74.43 110.65 176.57 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -138.5 146.15 41.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.337 -1.357 . . . . 75.3 107.337 165.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -65.64 130.78 44.5 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.342 1.057 . . . . 73.33 111.006 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.86 -12.05 68.61 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 124.206 0.908 . . . . 55.14 114.955 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -102.15 22.36 13.35 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.694 1.247 . . . . 70.4 111.454 -171.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -42.96 80.72 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 124.78 1.232 . . . . 73.05 114.293 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.7 mtp -60.96 -37.83 83.79 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.042 -1.036 . . . . 73.14 112.638 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.2 -45.34 26.91 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.363 0.875 . . . . 63.33 113.363 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.53 -44.36 96.16 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.771 2.029 . . . . 74.43 113.736 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.05 -41.62 83.68 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.066 0.946 . . . . 75.32 112.563 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.91 -37.45 87.45 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.739 1.216 . . . . 72.44 113.895 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.74 -26.51 68.11 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.94 -1.1 . . . . 74.22 112.55 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -96.63 14.27 25.43 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 125.476 1.511 . . . . 71.41 114.757 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 0.91 64.13 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 120.959 -1.088 . . . . 64.4 114.411 166.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.23 141.94 57.1 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 118.573 1.186 . . . . 73.24 110.886 162.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -82.9 172.74 12.49 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 119.429 -2.044 . . . . 72.34 108.641 170.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.69 -31.82 73.21 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.413 -1.43 . . . . 74.2 112.857 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.27 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.443 1.497 . . . . 74.43 112.455 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.15 -40.48 96.23 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.051 2.14 . . . . 72.32 113.078 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.07 89.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.604 1.162 . . . . 74.24 112.855 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -76.59 -26.88 55.51 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.502 0.721 . . . . 74.22 112.367 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -60.13 -42.26 94.44 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.029 1.492 . . . . 75.22 115.029 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.64 -41.22 98.91 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 121.307 1.867 . . . . 75.45 112.544 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.93 -40.68 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.107 -0.996 . . . . 72.51 111.757 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.54 -42.59 95.64 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.312 1.445 . . . . 73.22 112.655 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.47 -44.65 93.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.107 0 C-N-CA 124.6 1.16 . . . . 75.14 110.115 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -57.53 -57.77 11.22 Favored 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 122.007 -0.433 . . . . 74.2 111.915 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HA ' ' HG3' ' A' ' 98' ' ' GLU . 91.6 m-70 -68.15 -29.71 68.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 O-C-N 121.348 -0.845 . . . . 72.43 111.116 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.7 t -66.19 -43.55 86.49 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 122.482 1.134 . . . . 61.14 111.914 172.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.432 ' HA ' HG23 ' A' ' 100' ' ' VAL . 7.8 m -66.09 -29.95 70.38 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 115.18 1.548 . . . . 62.2 115.18 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HG3' ' HA ' ' A' ' 95' ' ' HIS . 41.6 mt-10 -61.5 -28.93 69.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.814 1.246 . . . . 74.12 111.015 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -74.56 -42.16 59.29 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 127.06 2.144 . . . . 74.31 109.514 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 97' ' ' CYS . 23.0 m -86.84 -32.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 123.134 0.574 . . . . 74.4 111.737 -168.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.7 157.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-O 122.833 1.302 . . . . 74.0 114.162 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 m -68.89 125.8 27.76 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.845 -1.159 . . . . 74.12 112.14 164.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.1 mt -107.82 132.12 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 129.169 2.988 . . . . 63.22 103.398 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.2 t -113.26 128.42 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.966 -1.864 . . . . 72.4 105.966 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.49 89.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.267 1.21 . . . . 75.13 114.267 171.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.36 -38.49 91.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 125.499 1.52 . . . . 74.12 114.292 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -128.63 98.62 24.76 Favored Pre-proline 0 N--CA 1.445 -0.686 0 CA-C-O 117.762 -1.114 . . . . 63.24 109.33 -162.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.5 -13.31 37.13 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 123.838 2.406 . . . . 74.45 112.873 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.86 -44.5 63.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.696 1.199 . . . . 61.11 111.046 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -44.83 96.62 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 120.91 -1.119 . . . . 74.14 111.817 172.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.2 m -55.06 -47.39 74.91 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.924 0.89 . . . . 73.04 110.952 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.8 tpt -69.51 -47.51 63.55 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.567 -1.333 . . . . 74.4 114.411 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.91 83.68 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.733 1.213 . . . . 74.41 112.478 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.1 -41.01 97.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 123.948 0.899 . . . . 74.24 109.432 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.95 -47.17 84.35 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 121.392 -0.817 . . . . 64.55 112.616 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.92 98.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.167 0.987 . . . . 74.13 111.014 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.18 -29.79 66.75 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 118.951 -0.547 . . . . 73.43 111.908 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.79 -46.49 68.57 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 120.635 1.561 . . . . 74.13 113.897 167.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.09 -48.08 74.04 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 114.689 1.366 . . . . 73.35 114.689 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 123' ' ' ILE . 28.9 mmmt -64.0 -28.11 69.58 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.659 0.784 . . . . 75.32 112.232 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.0 95.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-O 122.282 1.039 . . . . 65.12 112.222 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.57 -45.97 74.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.658 1.355 . . . . 63.11 114.658 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 120' ' ' LYS . 19.1 pt -66.73 -22.13 29.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 119.347 -2.096 . . . . 74.3 114.742 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.67 -40.49 95.11 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 124.668 1.187 . . . . 73.25 111.585 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -72.08 -27.07 62.43 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.273 1.029 . . . . 75.42 113.363 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -68.57 153.18 44.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.263 2.225 . . . . 72.24 115.228 -173.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.94 -0.77 55.36 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.811 1.244 . . . . 71.02 111.826 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -129.66 153.68 47.88 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 106.306 -1.738 . . . . 73.45 106.306 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.08 118.18 40.59 Favored Pre-proline 0 N--CA 1.444 -0.73 0 CA-C-O 118.481 -0.771 . . . . 65.33 111.242 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.0 154.02 63.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.387 2.058 . . . . 71.42 109.846 158.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -85.68 170.46 12.49 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 106.981 -1.488 . . . . 74.42 106.981 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.28 -32.73 72.56 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.274 -1.516 . . . . 73.41 112.483 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.19 -37.07 79.12 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.614 1.166 . . . . 72.04 112.297 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.05 -44.87 13.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.124 2.169 . . . . 70.35 111.138 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.2 81.08 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.426 -1.421 . . . . 74.42 114.207 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.38 -28.21 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 120.315 -1.491 . . . . 75.24 108.896 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.14 96.97 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 119.394 -0.67 . . . . 74.2 114.526 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.53 68.65 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 119.411 1.606 . . . . 72.04 113.219 178.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.18 -59.95 4.07 Favored 'General case' 0 CA--C 1.474 -1.975 0 C-N-CA 123.612 0.765 . . . . 75.42 111.124 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 74.0 mt -65.83 -37.17 85.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.938 0.718 . . . . 75.35 112.938 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.77 92.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.833 1.42 . . . . 75.23 114.833 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -80.06 -30.3 39.35 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.588 -1.32 . . . . 60.32 110.893 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.259 1.57 0 N-CA-C 115.864 1.802 . . . . 70.24 115.864 -175.828 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo . . . . . 0 N--CA 1.456 -0.731 0 N-CA-C 114.52 0.931 . . . . 71.31 114.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.6 mtt -75.45 -43.02 51.81 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.048 1.295 . . . . 74.52 112.39 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -32.56 66.46 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 121.286 -0.883 . . . . 62.23 111.458 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.45 94.23 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.565 -0.709 . . . . 74.32 112.689 169.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.5 t -61.39 -46.3 90.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.224 -1.028 . . . . 63.5 108.224 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -59.13 -43.18 91.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.064 -1.647 . . . . 74.03 112.229 -172.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -76.65 -39.85 51.01 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.289 1.218 . . . . 65.42 114.289 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.77 -38.94 86.97 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 126.7 2.0 . . . . 72.45 110.345 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 15.0 mt -83.32 -7.74 59.54 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.059 -0.973 . . . . 74.34 110.068 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.99 45.44 21.18 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.722 2.409 . . . . 74.42 113.385 -174.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.65 158.07 46.26 Favored Pre-proline 0 C--N 1.349 0.586 0 C-N-CA 124.115 0.966 . . . . 73.53 109.399 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.71 165.84 30.65 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.328 2.019 . . . . 74.15 113.35 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 128.231 2.612 . . . . 71.21 110.092 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.15 70.36 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.441 1.896 . . . . 74.41 113.734 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 m -101.56 -21.99 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 O-C-N 120.28 -1.513 . . . . 75.4 112.163 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.87 -32.48 73.02 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.159 -1.588 . . . . 75.34 110.805 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -75.92 -16.16 60.07 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.968 -1.083 . . . . 74.01 112.574 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.41 -38.17 79.92 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.234 -0.916 . . . . 74.32 112.619 168.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.83 -40.6 93.39 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.605 1.335 . . . . 73.41 114.605 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -63.58 -44.41 94.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.078 -1.639 . . . . 73.02 113.139 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -65.76 -24.12 66.88 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 127.174 2.19 . . . . 72.02 114.618 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--N 1.346 0.433 0 C-N-CA 126.93 2.092 . . . . 74.15 111.817 -178.302 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 120.787 0.327 . . . . 65.43 110.707 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -91.77 130.58 37.53 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.864 0.866 . . . . 73.14 111.541 -167.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.2 -32.33 71.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.053 1.741 . . . . 74.14 113.763 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.34 -31.98 72.69 Favored 'General case' 0 CA--C 1.491 -1.318 0 N-CA-C 115.723 1.749 . . . . 75.33 115.723 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -41.22 86.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 121.798 0.809 . . . . 73.53 110.759 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.47 99.14 Favored Glycine 0 CA--C 1.49 -1.499 0 O-C-N 121.075 -1.015 . . . . 64.35 114.016 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 91.8 m -63.84 -41.49 97.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.537 1.135 . . . . 73.2 111.3 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.16 -39.33 81.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.986 -1.071 . . . . 74.13 112.281 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.44 -46.32 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 O-C-N 119.7 -1.875 . . . . 75.0 113.07 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.59 -29.09 68.35 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.447 1.647 . . . . 73.44 115.447 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.56 -41.29 93.14 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 127.846 2.458 . . . . 74.52 113.788 172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.65 -38.39 84.68 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 118.549 -2.595 . . . . 73.54 112.996 171.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.38 -35.49 67.77 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.544 1.538 . . . . 70.43 114.995 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -81.01 -24.21 38.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.586 -0.696 . . . . 74.23 112.479 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.7 mttm -103.65 34.57 2.93 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.82 2.048 . . . . 74.44 113.337 -172.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.508 HD21 HD12 ' A' ' 62' ' ' LEU . 88.5 mt -82.78 -17.36 44.4 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 119.649 -1.907 . . . . 74.41 110.668 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.4 -29.37 70.44 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 127.35 2.26 . . . . 73.13 110.854 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -69.84 -28.32 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 128.367 2.667 . . . . 73.45 111.183 179.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD12 HD21 ' A' ' 59' ' ' LEU . 63.5 mt -73.22 160.86 31.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.906 2.082 . . . . 74.13 110.429 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.67 142.88 44.45 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 120.48 -1.387 . . . . 72.44 113.389 -174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.84 -29.23 70.44 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.793 -1.192 . . . . 62.51 113.961 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.68 -37.13 72.9 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.496 -1.378 . . . . 74.12 113.565 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -79.23 -10.82 59.91 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.704 -1.248 . . . . 74.21 112.573 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 62.5 26.56 15.8 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 127.987 2.515 . . . . 75.42 116.751 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -79.98 120.55 24.32 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 120.038 -1.664 . . . . 72.34 111.208 177.348 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -134.27 147.76 50.69 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 105.851 -1.907 . . . . 72.22 105.851 166.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.488 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.1 t60 -66.15 129.19 38.96 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.161 0.984 . . . . 74.42 110.892 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.12 -9.23 78.23 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.915 1.245 . . . . 61.34 115.617 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -109.18 27.97 8.98 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.973 1.386 . . . . 75.22 109.956 -169.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.63 83.73 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 114.595 1.332 . . . . 75.21 114.595 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.624 1.102 . . . . 74.53 112.901 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -71.25 -44.75 64.7 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.292 0.637 . . . . 74.34 112.356 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.7 -48.9 79.74 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.44 1.896 . . . . 74.15 113.0 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.89 96.02 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.931 0.892 . . . . 73.1 113.221 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.9 mtm -63.55 -37.46 87.39 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.879 1.066 . . . . 75.31 113.879 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.23 -24.49 67.89 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 120.493 -1.38 . . . . 74.43 113.249 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.89 13.67 21.91 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.574 1.55 . . . . 73.43 114.558 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.7 0.69 64.21 Favored Glycine 0 C--N 1.351 1.397 0 O-C-N 121.02 -1.05 . . . . 74.21 114.255 167.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.9 56.85 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.32 1.06 . . . . 75.21 111.18 164.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -81.42 170.41 16.0 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.611 -1.931 . . . . 73.44 108.17 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.62 -34.32 77.99 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.552 -1.342 . . . . 74.34 112.662 -173.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.46 84.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.423 1.889 . . . . 72.44 112.521 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -67.97 -39.18 83.39 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.902 1.281 . . . . 70.0 112.416 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.73 84.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 73.14 112.719 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.42 -28.99 65.48 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.843 -1.161 . . . . 74.24 112.005 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.55 -42.47 96.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.039 1.496 . . . . 74.44 115.039 171.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.22 -41.83 99.18 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.438 1.926 . . . . 73.53 112.659 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.25 -39.59 94.27 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.193 -0.942 . . . . 74.32 111.648 172.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.657 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.8 t70 -66.54 -41.35 88.87 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.284 1.434 . . . . 73.21 114.774 176.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.06 -44.91 92.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 124.372 1.069 . . . . 71.44 109.295 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.38 -50.84 72.21 Favored 'General case' 0 CA--C 1.494 -1.188 0 C-N-CA 123.263 0.625 . . . . 75.4 110.986 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.657 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.8 p80 -75.15 -27.94 59.93 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 117.741 -1.583 . . . . 71.51 109.469 -169.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.46 -43.98 88.62 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.672 -1.604 . . . . 74.41 111.42 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.462 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.6 m -66.31 -32.91 74.6 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.046 1.338 . . . . 73.52 114.317 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.54 -25.05 67.04 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.725 1.21 . . . . 74.02 112.346 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.04 -40.24 60.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.056 1.742 . . . . 70.34 109.956 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 97' ' ' CYS . 24.7 m -95.7 -29.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 C-N-CA 123.566 0.746 . . . . 60.32 111.356 -165.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.42 155.21 7.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 122.658 1.218 . . . . 74.23 113.38 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.2 m -67.55 121.86 16.76 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.83 -1.169 . . . . 73.22 111.386 164.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.9 mt -102.31 131.58 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 C-N-CA 128.955 2.902 . . . . 74.14 103.476 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.49 128.54 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 105.917 -1.883 . . . . 71.15 105.917 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.83 88.47 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 114.744 1.387 . . . . 72.44 114.744 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.02 -37.79 88.78 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.626 1.57 . . . . 74.33 114.652 176.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -129.46 89.64 46.64 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-O 118.38 -0.819 . . . . 74.44 108.876 -161.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.02 -13.23 36.15 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 C-N-CA 122.765 2.31 . . . . 73.1 112.541 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.9 -43.68 78.73 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.298 1.439 . . . . 74.04 110.329 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -45.81 93.31 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 121.282 -0.886 . . . . 72.44 112.395 169.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.0 m -57.02 -46.78 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 112.704 0.631 . . . . 71.52 112.704 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.018 2.229 . . . . 75.42 117.018 171.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -45.25 84.17 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.282 -1.511 . . . . 72.24 112.621 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.8 -41.62 99.37 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.625 0.77 . . . . 64.14 109.761 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.6 -46.06 87.48 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.097 -1.002 . . . . 74.25 112.279 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.27 99.74 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 124.808 1.243 . . . . 73.42 110.799 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.73 -28.54 62.71 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.941 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.12 -46.61 64.44 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 120.084 1.311 . . . . 72.32 113.706 166.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.406 ' CD1' HD12 ' A' ' 139' ' ' LEU . 70.4 t80 -55.36 -47.89 75.06 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 115.161 1.541 . . . . 74.14 115.161 174.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 123' ' ' ILE . 34.3 ttpt -62.44 -32.75 73.66 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 122.03 0.919 . . . . 74.05 110.745 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.52 96.49 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 122.208 1.004 . . . . 74.4 112.062 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.44 -45.99 74.42 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 124.981 1.313 . . . . 70.1 114.436 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 120' ' ' LYS . 18.6 pt -65.2 -24.27 34.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 119.282 -2.136 . . . . 75.22 114.37 174.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -65.21 -35.64 81.7 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.22 -0.925 . . . . 64.05 111.484 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -76.24 -24.99 54.59 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.908 -1.12 . . . . 75.41 112.43 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -68.17 153.51 43.59 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 127.434 2.293 . . . . 73.13 114.784 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.59 0.39 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.442 1.097 . . . . 73.24 111.776 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -129.46 155.45 45.7 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.337 -1.357 . . . . 75.1 107.337 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.96 119.55 40.65 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.433 -0.794 . . . . 72.52 111.068 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -69.85 151.89 68.71 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.427 2.085 . . . . 63.51 108.994 156.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.8 p -86.34 168.5 13.8 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 106.646 -1.612 . . . . 70.42 106.646 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.7 -28.93 70.29 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.26 -1.525 . . . . 74.03 113.002 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.85 -40.85 94.42 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.721 -1.237 . . . . 74.41 112.164 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.47 -44.48 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 126.227 1.811 . . . . 71.33 113.082 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.26 81.67 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.535 1.061 . . . . 74.44 112.418 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 m -77.11 -33.2 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 121.484 -0.76 . . . . 73.14 109.318 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.26 99.84 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 119.464 -0.631 . . . . 65.13 114.096 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.85 -38.12 89.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.989 1.395 . . . . 71.3 113.661 173.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' A' ' 119' ' ' PHE . 53.6 mt -63.74 -51.32 65.44 Favored 'General case' 0 CA--C 1.477 -1.848 0 C-N-CA 124.682 1.193 . . . . 71.5 112.856 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 56' ' ' ALA . 27.0 mt -68.46 -40.72 80.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.154 -1.385 . . . . 74.22 111.117 -177.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.87 85.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.188 -1.57 . . . . 73.44 114.273 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.57 23.4 5.34 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.869 -1.144 . . . . 73.04 112.34 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 70' ' ' HIS . 11.9 t . . . . . 0 C--O 1.265 1.881 0 O-C-N 119.383 -2.073 . . . . 65.25 113.849 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 N--CA 1.455 -0.786 0 N-CA-C 114.561 0.947 . . . . 72.53 114.561 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.89 -43.93 70.79 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.983 1.265 . . . . 71.35 112.376 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.99 -30.59 63.91 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.925 -1.109 . . . . 71.24 111.851 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.22 99.73 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.591 0.756 . . . . 74.13 112.114 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.2 t -60.58 -47.0 88.15 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.56 -0.904 . . . . 72.42 108.56 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -59.57 -42.89 93.51 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.004 -1.685 . . . . 73.31 112.988 -172.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.83 -39.58 56.45 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 114.33 1.233 . . . . 75.42 114.33 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.46 -39.02 86.07 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 125.557 1.543 . . . . 74.41 110.86 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 15.9 mt -83.36 -12.52 56.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.342 -0.845 . . . . 74.23 110.116 -177.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.61 48.01 12.37 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.87 2.068 . . . . 75.42 113.133 -174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.2 157.9 47.78 Favored Pre-proline 0 C--N 1.347 0.495 0 C-N-CA 124.708 1.203 . . . . 65.35 108.358 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.97 167.19 27.82 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.71 2.273 . . . . 75.54 113.576 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.31 -33.23 73.26 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 128.239 2.616 . . . . 75.23 109.246 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.26 62.85 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 127.754 2.421 . . . . 73.55 113.882 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -100.96 -24.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 O-C-N 120.548 -1.345 . . . . 70.22 112.182 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.0 ptm -65.93 -33.84 76.74 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.159 -1.588 . . . . 75.1 111.573 166.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.22 -20.28 61.58 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.349 0.87 . . . . 73.25 113.349 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -62.3 -38.4 89.26 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 113.401 0.889 . . . . 71.44 113.401 171.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CD2' HG12 ' A' ' 52' ' ' ILE . 21.0 t80 -61.47 -44.31 97.33 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.112 1.153 . . . . 75.5 114.112 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.1 p90 -70.89 -35.02 72.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 119.746 -1.847 . . . . 75.52 115.57 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.65 -18.01 64.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.246 1.818 . . . . 73.02 114.053 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--N 1.348 0.527 0 C-N-CA 127.349 2.26 . . . . 74.31 111.259 176.777 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.516 -0.355 0 CA-C-O 121.135 0.493 . . . . 74.21 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.83 132.96 33.99 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 124.489 1.115 . . . . 74.41 111.873 -165.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -59.62 -33.33 71.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 126.463 1.905 . . . . 74.54 113.495 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.34 -31.63 72.83 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 116.384 1.994 . . . . 65.24 116.384 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.26 84.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 121.863 0.839 . . . . 73.4 110.738 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.41 -41.02 99.48 Favored Glycine 0 CA--C 1.492 -1.403 0 O-C-N 121.044 -1.035 . . . . 75.11 113.944 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.26 -41.5 96.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.893 1.277 . . . . 72.42 111.244 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.01 -39.14 79.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 121.138 -0.976 . . . . 72.53 112.17 172.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.1 mt -60.11 -46.25 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 O-C-N 119.353 -2.092 . . . . 72.44 113.327 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.33 -29.13 68.61 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.098 1.518 . . . . 75.23 115.098 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' A' ' 23' ' ' LEU . 43.1 t -66.07 -41.62 90.49 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 127.93 2.492 . . . . 74.41 114.619 171.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.45 -38.86 85.51 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 118.625 -2.547 . . . . 73.44 112.759 172.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.91 -37.25 68.65 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 125.847 1.659 . . . . 63.15 114.484 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -81.46 -17.64 48.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.541 -0.724 . . . . 75.41 112.353 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 65.2 mttm -109.19 31.29 5.84 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.977 1.711 . . . . 72.33 112.918 -172.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD21 HD12 ' A' ' 62' ' ' LEU . 92.2 mt -81.23 -24.2 37.54 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.338 -2.101 . . . . 74.12 110.485 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.39 -15.28 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.339 1.456 . . . . 74.04 112.975 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -71.71 -26.62 62.57 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 126.758 2.023 . . . . 74.32 112.003 169.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.516 HD12 HD21 ' A' ' 59' ' ' LEU . 57.1 mt -74.44 161.33 29.92 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.682 1.993 . . . . 72.42 110.902 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.92 147.13 31.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.551 -1.343 . . . . 72.41 110.271 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.49 -29.91 70.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 114.754 1.39 . . . . 75.24 114.754 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -58.63 -34.65 71.41 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.127 -1.608 . . . . 74.51 113.68 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -79.39 -13.71 59.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.811 -1.181 . . . . 72.24 112.984 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 63.36 24.25 14.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 128.548 2.739 . . . . 74.43 116.514 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -83.67 122.45 28.63 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.004 -1.685 . . . . 64.43 110.733 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -140.35 151.04 44.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.116 -1.438 . . . . 74.33 107.116 166.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.81 129.39 39.75 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.184 0.992 . . . . 75.41 113.271 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.88 -9.81 74.88 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.264 1.411 . . . . 64.3 115.372 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -106.85 24.77 12.21 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.242 1.521 . . . . 75.35 111.752 -167.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.81 83.82 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 114.872 1.434 . . . . 71.1 114.872 -172.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.9 mtp -61.72 -41.22 97.33 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.523 1.056 . . . . 72.12 112.514 -175.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.52 -44.78 66.88 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 113.318 0.858 . . . . 74.52 113.318 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.6 -47.66 85.21 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 127.13 2.172 . . . . 73.14 112.835 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.68 93.16 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 113.621 0.971 . . . . 72.53 113.621 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.7 -35.83 81.85 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 114.04 1.126 . . . . 74.32 114.04 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.04 -28.25 68.92 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.767 -1.208 . . . . 72.21 112.788 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -94.97 14.64 21.07 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.784 1.634 . . . . 73.23 114.689 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.74 63.13 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 121.113 -0.992 . . . . 74.12 114.026 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.51 141.44 57.88 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.35 1.075 . . . . 72.32 111.567 164.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -81.4 170.37 16.06 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.503 -1.998 . . . . 73.54 108.344 168.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.76 -34.58 78.66 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.576 -1.327 . . . . 74.13 112.624 -172.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.39 84.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.337 1.855 . . . . 75.23 112.297 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.3 mtt -68.24 -39.23 82.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.972 1.309 . . . . 75.54 112.407 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.51 85.92 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.934 0.894 . . . . 73.42 112.847 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.17 -28.57 65.43 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.633 -1.292 . . . . 71.55 112.07 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -60.55 -42.42 96.53 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 115.016 1.487 . . . . 74.52 115.016 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.16 -41.82 99.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 121.433 1.924 . . . . 75.32 112.328 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.09 -39.76 94.75 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.979 -1.076 . . . . 73.21 111.814 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.652 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.0 t70 -66.39 -41.23 89.68 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.453 1.501 . . . . 64.32 114.898 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.0 -44.9 92.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.298 1.039 . . . . 75.01 109.266 172.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.51 -50.62 73.1 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 123.372 0.669 . . . . 74.25 111.099 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.652 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 13.1 p80 -74.87 -27.99 60.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 117.69 -1.604 . . . . 75.44 109.664 -170.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -43.84 88.97 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.741 -1.572 . . . . 75.33 111.285 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.465 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.5 m -66.15 -32.64 74.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.98 1.312 . . . . 71.41 114.483 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.52 -24.6 66.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.847 1.259 . . . . 74.52 112.397 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -75.27 -40.06 59.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.227 1.811 . . . . 73.5 109.946 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 97' ' ' CYS . 25.4 m -96.52 -29.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 123.557 0.743 . . . . 73.43 111.309 -165.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.11 154.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-O 122.648 1.213 . . . . 73.42 113.402 173.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.1 m -67.1 122.79 18.56 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.814 -1.179 . . . . 73.54 111.502 164.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.4 mt -103.19 131.92 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 C-N-CA 128.978 2.911 . . . . 74.41 103.456 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -113.19 127.77 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.712 0 N-CA-C 106.291 -1.744 . . . . 75.1 106.291 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.82 93.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.485 1.291 . . . . 70.34 114.485 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.14 -40.18 95.6 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.885 1.674 . . . . 60.11 113.534 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -130.7 95.67 25.59 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-O 117.903 -1.046 . . . . 71.21 109.976 -159.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.21 -13.51 38.1 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-N 123.331 2.225 . . . . 75.22 112.776 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.61 -44.63 77.58 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.782 1.233 . . . . 74.5 110.837 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.57 93.0 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.358 1.063 . . . . 73.21 111.701 171.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -57.1 -46.8 82.29 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.503 0.592 . . . . 64.43 112.595 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -46.83 76.58 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.958 2.207 . . . . 75.44 116.958 171.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.15 86.0 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.405 -1.434 . . . . 74.24 112.467 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.21 -41.51 99.15 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.644 0.778 . . . . 72.13 109.836 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.53 -45.96 88.17 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 121.255 -0.903 . . . . 71.11 112.357 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.1 99.71 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.842 1.257 . . . . 65.31 110.776 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -72.25 -29.03 63.53 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.891 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.29 -46.57 64.04 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 120.568 -1.332 . . . . 71.25 113.776 167.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -55.22 -48.26 74.16 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.245 1.572 . . . . 73.42 115.245 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.425 ' HA ' HG12 ' A' ' 123' ' ' ILE . 64.8 tttm -62.5 -32.2 73.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.02 0.914 . . . . 74.41 111.151 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 122.328 1.061 . . . . 73.03 111.943 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -68.69 -46.16 69.74 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.582 1.553 . . . . 72.35 114.051 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 126' ' ' LEU . 17.0 pt -64.68 -24.26 35.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 119.107 -2.246 . . . . 62.03 114.276 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.92 -32.63 74.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.293 1.037 . . . . 74.13 111.648 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -75.56 -26.94 58.38 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.946 -1.096 . . . . 74.45 112.601 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 123' ' ' ILE . 45.6 mt -69.7 153.21 43.71 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.115 2.166 . . . . 73.5 115.406 -169.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.26 -0.48 54.83 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.93 1.292 . . . . 74.41 111.718 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -129.32 155.01 46.31 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.901 -1.518 . . . . 74.3 106.901 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.71 118.02 41.59 Favored Pre-proline 0 N--CA 1.443 -0.818 0 CA-C-O 118.536 -0.745 . . . . 71.53 111.307 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.4 147.72 65.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.267 1.978 . . . . 64.15 108.977 155.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.0 t -79.84 166.44 21.69 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 108.836 -0.802 . . . . 73.44 108.836 164.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.58 -33.56 74.1 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 120.807 -1.183 . . . . 63.51 111.456 -175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.39 -43.11 92.98 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.498 0.719 . . . . 65.34 112.261 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 p -82.53 -44.69 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 126.999 2.12 . . . . 75.23 114.914 173.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.33 82.77 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.299 -0.876 . . . . 61.02 113.264 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.28 -29.22 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 N-CA-C 108.097 -1.075 . . . . 74.44 108.097 174.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.19 99.56 Favored Glycine 0 C--N 1.353 1.519 0 CA-C-O 119.033 -0.87 . . . . 72.24 113.979 -174.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.42 -36.9 85.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.426 1.613 . . . . 75.14 113.395 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 mt -62.63 -51.67 66.38 Favored 'General case' 0 CA--C 1.482 -1.661 0 N-CA-C 113.206 0.817 . . . . 75.12 113.206 171.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 56' ' ' ALA . 33.7 mt -69.43 -39.91 77.56 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.933 -1.03 . . . . 74.11 111.902 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.44 92.66 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 119.839 -1.788 . . . . 63.12 113.657 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -96.71 34.62 1.64 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.343 -0.848 . . . . 74.1 111.51 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.262 1.72 0 O-C-N 119.89 -1.756 . . . . 75.25 114.375 177.076 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 N--CA 1.456 -0.722 0 CA-C-O 119.045 -0.481 . . . . 74.31 112.913 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.0 ttp -77.71 -40.02 42.66 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 119.407 1.003 . . . . 73.04 112.016 -169.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.56 -32.82 73.01 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.217 -0.927 . . . . 75.41 111.768 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.07 94.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.485 1.114 . . . . 51.44 111.851 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.35 -0.61 8.49 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 115.186 1.55 . . . . 74.5 115.186 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -91.28 -48.19 7.06 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 119.627 -1.921 . . . . 74.32 110.237 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.45 -36.82 44.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 119.872 -1.768 . . . . 70.42 114.549 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.6 -37.8 79.55 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 127.731 2.412 . . . . 74.22 110.44 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.38 -10.13 52.92 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.164 -1.38 . . . . 61.02 109.288 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.52 46.68 14.56 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.919 2.088 . . . . 73.45 113.121 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.68 157.89 46.78 Favored Pre-proline 0 C--N 1.348 0.504 0 C-N-CA 124.369 1.068 . . . . 74.2 109.36 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.41 166.34 29.69 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.552 2.168 . . . . 75.41 113.504 176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.06 -28.99 70.46 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.328 2.651 . . . . 75.12 109.805 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.35 68.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 127.35 2.26 . . . . 73.12 113.487 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.2 m -99.79 -22.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 120.223 -1.548 . . . . 74.42 112.058 -173.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.1 ptm -66.95 -32.24 73.36 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.115 -1.616 . . . . 74.1 112.138 166.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -76.51 -15.24 59.93 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.734 -1.228 . . . . 71.04 113.229 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.66 -37.75 79.57 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.063 -1.023 . . . . 71.14 112.809 167.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -60.26 -39.91 88.46 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.175 1.39 . . . . 74.03 114.509 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.86 -44.5 95.96 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 120.143 -1.598 . . . . 75.32 113.617 171.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -65.84 -25.39 67.18 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 127.015 2.126 . . . . 74.21 114.159 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.3 t80 . . . . . 0 C--N 1.347 0.485 0 C-N-CA 127.096 2.158 . . . . 73.01 112.236 -179.467 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 120.855 0.359 . . . . 75.03 111.966 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -85.01 130.38 34.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.295 -0.878 . . . . 73.44 111.589 -167.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -59.27 -32.77 70.31 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.957 2.103 . . . . 74.42 113.262 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -63.49 -30.87 71.93 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 116.278 1.955 . . . . 74.44 116.278 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.37 88.88 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 118.886 0.767 . . . . 71.25 111.47 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.34 95.05 Favored Glycine 0 CA--C 1.486 -1.742 0 O-C-N 120.164 -1.585 . . . . 71.25 112.917 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.3 -40.41 97.29 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.16 0.984 . . . . 65.53 111.114 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.27 -42.89 84.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 121.233 -0.917 . . . . 75.24 112.021 170.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.45 -45.62 96.53 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 O-C-N 120.891 -1.13 . . . . 72.43 111.859 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.14 -28.25 67.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 114.774 1.398 . . . . 72.55 114.774 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.54 -42.34 99.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.555 1.542 . . . . 74.3 111.943 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -38.35 84.92 Favored 'General case' 0 C--N 1.367 1.353 0 CA-C-N 120.884 1.675 . . . . 73.5 113.538 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -57.38 -36.94 71.88 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 126.338 1.855 . . . . 74.11 115.182 -173.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.23 -40.38 77.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.268 0.84 . . . . 74.21 113.268 168.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 69.2 mttm -98.21 38.8 1.28 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.82 1.648 . . . . 64.3 112.508 -167.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 62' ' ' LEU . 96.8 mt -79.52 -29.35 41.45 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-O 123.422 1.582 . . . . 74.25 111.289 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.85 -16.88 64.23 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.24 1.416 . . . . 73.41 111.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.5 mt -77.19 -25.71 52.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.89 2.076 . . . . 71.12 110.831 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 59' ' ' LEU . 57.6 mt -67.16 162.58 22.13 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 128.212 2.605 . . . . 74.13 110.965 -177.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -66.77 120.96 14.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.868 -1.145 . . . . 71.44 111.207 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.83 -25.28 66.51 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.168 1.387 . . . . 73.14 113.801 -169.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.51 -33.92 64.18 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.62 1.968 . . . . 74.14 113.245 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptm -80.21 -10.05 59.74 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.899 1.227 . . . . 74.01 111.851 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 64.29 26.96 13.78 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.214 3.006 . . . . 75.23 115.773 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.21 122.41 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.823 -1.798 . . . . 73.21 112.596 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -140.84 153.46 45.77 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.201 -1.407 . . . . 61.42 107.201 164.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.44 129.15 39.37 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.275 1.036 . . . . 72.23 112.724 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.85 -10.58 74.21 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 124.317 0.96 . . . . 73.4 114.333 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.08 23.8 11.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.709 1.203 . . . . 73.1 110.567 -174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.73 79.99 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.564 1.32 . . . . 73.43 114.564 -173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.48 -40.44 94.55 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 119.718 1.144 . . . . 72.24 112.497 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -71.06 -44.75 65.12 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.462 0.912 . . . . 72.21 113.462 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.96 -47.68 84.79 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.767 2.027 . . . . 74.24 113.324 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.54 93.89 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 120.993 -1.067 . . . . 73.4 113.138 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.2 mtp -63.41 -36.23 83.04 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.717 1.207 . . . . 74.33 113.434 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.52 -27.61 68.72 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.778 -1.201 . . . . 72.25 112.252 172.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -94.19 13.15 24.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.903 1.681 . . . . 71.44 114.355 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.68 63.94 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 121.09 -1.006 . . . . 74.43 114.414 167.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.56 58.04 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 118.51 1.155 . . . . 75.0 111.535 164.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -81.07 169.1 17.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.565 -1.959 . . . . 73.33 108.039 168.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.94 -34.63 78.88 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.643 -1.286 . . . . 73.44 112.625 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.32 86.93 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.369 1.868 . . . . 71.11 112.432 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.1 mtt -68.12 -39.42 82.76 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.921 1.289 . . . . 70.31 112.561 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.45 86.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.796 0.838 . . . . 72.23 113.078 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -69.08 -29.51 67.64 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.695 -1.253 . . . . 75.23 112.034 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.49 -42.26 95.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.782 1.401 . . . . 74.03 114.782 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.18 -41.66 99.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 121.384 1.902 . . . . 74.23 112.927 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.45 -39.55 94.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.852 0.861 . . . . 64.43 111.467 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.647 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.7 t70 -66.88 -41.14 87.73 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 114.815 1.413 . . . . 75.02 114.815 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.95 -44.84 91.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 124.434 1.093 . . . . 73.13 109.385 171.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.1 -50.86 72.02 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 123.368 0.667 . . . . 71.44 111.169 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.647 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.5 p80 -75.7 -27.68 58.32 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.788 -1.565 . . . . 73.03 109.226 -169.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -43.98 89.59 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.835 -1.53 . . . . 74.52 111.24 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.455 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.9 m -66.59 -32.34 73.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.64 1.348 . . . . 73.14 114.64 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.55 -26.07 67.71 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.809 1.244 . . . . 71.42 112.209 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -75.69 -42.11 51.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.801 1.64 . . . . 75.45 109.675 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' A' ' 97' ' ' CYS . 22.1 m -87.66 -33.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 C-N-CA 123.438 0.695 . . . . 74.2 111.998 -169.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.89 155.48 7.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 122.67 1.224 . . . . 75.14 113.912 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.4 m -66.95 122.31 17.44 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.846 -1.159 . . . . 72.52 111.525 164.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.19 132.27 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 C-N-CA 128.771 2.828 . . . . 73.2 103.836 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 t -113.52 128.39 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 106.148 -1.797 . . . . 63.44 106.148 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.32 89.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.132 1.16 . . . . 75.2 114.132 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.57 -37.9 89.16 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.751 1.62 . . . . 63.21 114.466 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 96.6 23.26 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.757 -1.116 . . . . 64.14 109.306 -162.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.42 -13.57 37.87 Favored 'Trans proline' 0 C--N 1.326 -0.646 0 CA-C-N 123.797 2.392 . . . . 65.15 112.913 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.33 -44.86 74.43 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.821 1.249 . . . . 72.23 110.995 -176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.54 93.14 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.391 1.077 . . . . 72.34 111.687 172.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 m -56.88 -46.2 82.02 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.067 0.394 . . . . 63.43 111.494 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.9 tpp -65.22 -49.52 69.37 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.691 -1.256 . . . . 75.03 114.039 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -45.51 78.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.853 1.261 . . . . 74.32 112.484 -176.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.73 -41.58 99.24 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.727 0.811 . . . . 73.05 109.62 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.33 -46.04 88.45 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 121.267 -0.896 . . . . 72.01 112.451 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.41 99.56 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.047 1.339 . . . . 63.45 110.49 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.4 ptm -73.88 -28.9 61.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.772 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.22 -46.49 67.25 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.674 -1.266 . . . . 63.43 113.511 166.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -54.8 -47.93 73.39 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 115.225 1.565 . . . . 72.12 115.225 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.82 -30.84 71.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 123.572 0.749 . . . . 74.45 112.045 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.453 1.12 . . . . 72.23 111.93 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.73 -46.79 71.18 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.456 1.502 . . . . 65.45 114.666 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.26 -20.64 26.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 118.645 -2.535 . . . . 72.42 115.524 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -63.05 -38.82 92.72 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.155 -0.966 . . . . 72.34 111.394 168.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -76.74 -26.05 54.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.431 -0.793 . . . . 75.2 113.134 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -67.1 153.25 44.13 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.983 2.113 . . . . 72.42 114.883 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.02 -0.3 53.95 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.478 1.111 . . . . 55.24 111.792 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -128.95 154.43 46.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.971 -1.492 . . . . 65.1 106.971 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.52 119.57 39.58 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.392 -0.813 . . . . 73.4 110.823 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.67 151.03 69.49 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.451 2.101 . . . . 75.22 109.26 158.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -87.35 169.13 12.53 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 106.902 -1.518 . . . . 71.13 106.902 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.0 -26.96 69.1 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.262 -1.524 . . . . 63.54 113.168 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.4 -40.48 94.54 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.56 -1.338 . . . . 75.3 112.212 174.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.38 -43.96 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 126.231 1.812 . . . . 63.45 113.15 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.63 80.44 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 119.466 1.03 . . . . 74.24 112.571 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -33.72 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 109.037 -0.727 . . . . 72.44 109.037 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.89 99.68 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 121.765 -0.584 . . . . 72.15 113.838 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.43 -37.79 88.76 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.742 1.271 . . . . 55.52 113.74 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.1 mt -63.5 -51.57 64.99 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 124.549 1.14 . . . . 74.44 112.657 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 56' ' ' ALA . 35.1 mt -68.35 -42.29 79.46 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.01 -1.45 . . . . 73.13 111.263 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.3 77.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 120.52 -1.363 . . . . 75.13 114.243 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -91.32 21.16 4.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.743 -1.223 . . . . 63.3 112.193 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.266 1.949 0 O-C-N 119.389 -2.069 . . . . 72.34 113.914 178.241 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 CA-C-O 117.298 -1.209 . . . . 74.23 114.428 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mtp -66.28 -42.81 87.88 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 121.939 2.154 . . . . 75.5 114.775 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.74 -32.47 71.02 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.78 -1.2 . . . . 74.52 111.509 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.87 91.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 123.913 0.885 . . . . 75.01 112.39 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -74.12 -0.93 18.14 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.897 1.279 . . . . 74.52 113.779 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -48.47 7.97 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 119.582 -1.949 . . . . 74.25 110.32 164.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.68 -37.49 35.72 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.94 -1.725 . . . . 73.13 114.471 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.63 -38.03 80.25 Favored 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 128.172 2.589 . . . . 61.04 110.211 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.1 -6.96 56.67 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.213 -1.358 . . . . 73.14 109.435 -174.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.63 46.23 20.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.071 2.548 . . . . 74.21 113.898 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.53 160.27 36.92 Favored Pre-proline 0 C--N 1.35 0.621 0 C-N-CA 124.349 1.06 . . . . 74.54 110.284 -173.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -72.35 165.21 33.33 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.684 2.256 . . . . 74.34 113.918 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.41 -30.58 71.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.684 2.794 . . . . 64.35 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.2 70.09 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 127.549 2.34 . . . . 72.34 113.03 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.39 -34.9 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.685 -1.259 . . . . 72.21 112.802 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptm -66.09 -31.93 73.1 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.709 -1.87 . . . . 73.52 112.124 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -72.03 -20.32 61.71 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 121.909 0.862 . . . . 75.32 113.154 178.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.78 -38.81 92.07 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.439 -0.788 . . . . 74.33 113.043 172.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -61.34 -43.79 98.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.493 1.294 . . . . 73.23 114.493 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.1 p90 -71.61 -36.12 70.7 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 115.435 1.643 . . . . 73.13 115.435 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.43 -24.18 67.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.427 1.491 . . . . 74.04 113.791 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.348 0.526 0 C-N-CA 127.703 2.401 . . . . 74.24 111.637 178.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 120.95 0.405 . . . . 53.01 110.777 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -83.75 127.75 34.03 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 124.351 1.06 . . . . 72.42 109.653 -169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -58.6 -34.0 70.63 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 126.32 1.848 . . . . 75.42 113.761 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.6 -22.33 64.45 Favored 'General case' 0 CA--C 1.475 -1.922 0 N-CA-C 117.341 2.349 . . . . 75.31 117.341 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.5 66.26 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.386 0.994 . . . . 73.14 109.385 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.28 97.82 Favored Glycine 0 CA--C 1.491 -1.409 0 CA-C-O 117.903 -1.498 . . . . 72.33 113.822 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.3 m -67.12 -37.83 84.54 Favored 'General case' 0 C--N 1.369 1.434 0 CA-C-N 120.198 1.999 . . . . 74.32 111.404 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.33 -41.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.145 -0.972 . . . . 75.3 112.156 171.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.1 mt -60.06 -45.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 120.325 -1.484 . . . . 75.11 112.902 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.38 -28.18 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.104 1.52 . . . . 75.11 115.104 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.93 -41.24 95.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.939 1.696 . . . . 75.13 113.09 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.85 -39.9 86.76 Favored 'General case' 0 C--N 1.366 1.326 0 CA-C-N 122.524 2.42 . . . . 73.43 112.732 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.89 -36.27 69.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 125.475 1.51 . . . . 71.31 114.545 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -81.96 -12.82 58.17 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.537 0.94 . . . . 75.31 113.537 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.1 mttm -119.15 46.34 1.91 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.002 1.721 . . . . 73.25 112.911 -173.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 62' ' ' LEU . 90.0 mt -88.3 -17.65 30.22 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 125.624 1.57 . . . . 72.43 111.289 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -60.24 -37.86 81.69 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 128.938 2.895 . . . . 75.52 110.405 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -63.93 -28.91 70.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.97 2.908 . . . . 74.13 111.221 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.501 HD12 HD21 ' A' ' 59' ' ' LEU . 55.1 mt -70.34 161.59 30.14 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.716 2.006 . . . . 71.21 109.387 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.88 135.41 41.52 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.963 -1.711 . . . . 74.21 108.686 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.19 -26.0 66.01 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.269 1.028 . . . . 74.32 113.632 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.49 -33.25 69.58 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.303 1.441 . . . . 73.44 113.702 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -79.51 -10.54 59.82 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 119.988 1.267 . . . . 75.45 111.902 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m120 64.01 28.21 14.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 129.357 3.063 . . . . 71.51 115.346 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -79.99 120.75 24.59 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.8 . . . . 71.21 111.383 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -136.7 153.11 50.97 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.74 -1.948 . . . . 72.13 105.74 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.73 131.05 47.62 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.4 1.095 . . . . 75.04 112.594 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.71 -12.36 67.42 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 124.642 1.115 . . . . 72.53 113.964 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.75 20.56 12.81 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.585 1.554 . . . . 64.31 110.748 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.79 78.94 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 125.286 1.434 . . . . 54.22 114.157 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.8 mtt -61.02 -41.08 95.86 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.444 1.02 . . . . 65.23 112.276 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.71 -44.6 63.88 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 113.449 0.907 . . . . 64.32 113.449 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.36 -47.44 86.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.192 2.197 . . . . 70.22 113.155 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.86 93.22 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 121.038 -1.039 . . . . 74.13 112.892 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 68.7 mtm -63.15 -36.09 82.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 113.967 1.099 . . . . 64.33 113.967 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.01 -28.14 68.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 120.836 -1.165 . . . . 75.43 112.291 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.25 13.39 25.69 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.85 1.66 . . . . 73.11 114.525 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.77 0.85 63.94 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 121.069 -1.019 . . . . 44.15 114.264 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.86 142.14 57.42 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.403 1.101 . . . . 74.45 111.313 163.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.01 170.17 16.58 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.456 -2.027 . . . . 63.3 108.308 169.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.51 -34.95 79.41 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.606 -1.309 . . . . 73.31 112.652 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.47 81.44 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.329 1.852 . . . . 74.05 112.316 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -70.32 -36.52 74.32 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.273 1.029 . . . . 72.11 112.103 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.45 85.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.997 0.919 . . . . 74.34 113.095 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.5 -27.3 64.09 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.43 -1.419 . . . . 72.03 112.365 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.37 -42.01 94.95 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 114.61 1.337 . . . . 72.01 114.61 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.5 mt -63.36 -41.59 98.84 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 121.3 1.864 . . . . 74.31 112.693 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.4 -40.35 95.62 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.322 -0.861 . . . . 74.34 111.736 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.624 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 34.5 t70 -65.88 -41.49 91.49 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.574 1.55 . . . . 74.44 115.024 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.67 -44.81 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 124.43 1.092 . . . . 70.21 109.277 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 3.9 tttt -58.17 -54.22 49.39 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 123.134 0.573 . . . . 74.54 110.295 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.624 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 8.3 p80 -69.79 -31.69 69.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 120.927 -1.108 . . . . 73.04 109.589 -171.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -65.01 -43.62 91.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 114.207 -1.361 . . . . 75.14 111.167 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.453 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.9 m -66.11 -32.49 73.98 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.349 1.611 . . . . 65.31 115.349 173.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 35.6 mt-10 -60.7 -29.02 69.07 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.068 1.347 . . . . 74.44 111.013 -176.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.93 -41.29 68.0 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.842 2.457 . . . . 74.1 110.357 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 97' ' ' CYS . 24.5 m -94.97 -28.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.237 0.615 . . . . 73.23 111.187 -164.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.9 156.24 6.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-O 122.656 1.217 . . . . 72.25 113.894 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.0 m -67.51 123.28 19.99 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.934 -1.104 . . . . 75.35 111.675 163.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.3 131.75 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 128.85 2.86 . . . . 73.34 103.564 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.39 128.65 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 105.855 -1.906 . . . . 73.44 105.855 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.72 89.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 114.754 1.39 . . . . 63.21 114.754 170.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -65.0 -37.94 89.32 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.661 1.584 . . . . 64.15 114.735 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -128.9 92.99 38.27 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-O 118.272 -0.87 . . . . 75.02 108.844 -161.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.34 -13.96 36.6 Favored 'Trans proline' 0 C--N 1.331 -0.342 0 C-N-CA 122.71 2.273 . . . . 72.24 112.317 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 72.3 m -70.52 -43.37 69.77 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.225 1.41 . . . . 71.51 110.724 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.79 92.41 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.084 -1.01 . . . . 74.51 112.08 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.0 m -56.81 -45.63 82.15 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.534 0.607 . . . . 72.34 111.648 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.29 -50.41 65.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.308 1.225 . . . . 71.11 114.308 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.963 1.305 . . . . 64.32 112.729 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.34 -41.72 98.81 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.585 0.754 . . . . 75.11 109.689 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.39 -46.05 88.22 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 121.116 -0.99 . . . . 75.41 112.337 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.66 99.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 125.04 1.336 . . . . 74.43 110.761 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -72.38 -28.88 63.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 119.099 -0.476 . . . . 73.25 111.133 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.48 -46.22 64.18 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-N 120.124 1.329 . . . . 72.31 113.409 167.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -54.61 -48.0 72.73 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.719 1.378 . . . . 73.02 114.719 173.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.88 -32.3 73.53 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 124.006 0.922 . . . . 73.11 111.303 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.29 99.16 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 122.536 1.16 . . . . 61.21 112.008 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -68.38 -45.79 71.77 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.874 1.27 . . . . 74.22 114.358 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.03 -20.08 26.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 O-C-N 118.732 -2.48 . . . . 71.5 115.644 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.31 -40.25 95.7 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.278 1.031 . . . . 74.23 111.657 167.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 113.453 0.908 . . . . 63.13 113.453 -175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.07 151.57 46.84 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.179 2.192 . . . . 71.35 115.826 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.97 -0.45 48.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 113.642 -1.617 . . . . 75.32 112.587 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -133.39 155.67 49.05 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.226 -1.768 . . . . 74.42 106.226 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.66 39.97 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 118.443 -0.789 . . . . 71.34 110.956 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 150.73 68.59 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.331 2.02 . . . . 75.43 109.191 157.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -87.21 168.93 12.78 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 106.866 -1.531 . . . . 72.14 106.866 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.94 -26.99 69.08 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.271 -1.518 . . . . 74.23 113.1 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.9 -40.03 91.52 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.773 -1.204 . . . . 73.44 111.899 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.3 -43.91 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 C-N-CA 126.454 1.902 . . . . 73.34 113.34 -173.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.27 82.83 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.704 1.138 . . . . 73.33 112.62 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 m -77.33 -33.76 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 O-C-N 121.534 -0.729 . . . . 64.04 109.096 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.86 -41.17 99.61 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 121.652 -0.655 . . . . 73.34 113.859 -172.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.06 -38.03 89.6 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.741 1.271 . . . . 71.34 113.992 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.56 -51.96 63.12 Favored 'General case' 0 CA--C 1.478 -1.798 0 C-N-CA 124.778 1.231 . . . . 75.03 112.57 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 56' ' ' ALA . 25.5 mt -68.34 -40.83 81.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 113.981 -1.463 . . . . 75.13 111.318 -176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.09 81.45 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.383 -1.448 . . . . 73.55 114.161 174.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -90.48 18.85 5.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.94 -1.1 . . . . 74.33 112.191 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.266 1.952 0 O-C-N 119.587 -1.946 . . . . 75.52 114.108 179.26 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 N--CA 1.456 -0.701 0 CA-C-O 117.405 -1.165 . . . . 75.44 114.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.69 -45.17 83.84 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 121.252 1.842 . . . . 74.25 114.154 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.06 -32.18 64.87 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 121.148 -0.97 . . . . 75.43 111.291 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.62 87.87 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.63 -0.7 . . . . 71.11 112.715 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 10.4 t -60.94 -46.43 90.73 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.619 1.1 . . . . 72.02 108.275 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.98 -42.27 93.83 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.228 -1.545 . . . . 74.43 112.54 -171.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.05 -37.85 53.84 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.793 -1.192 . . . . 74.41 113.999 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.91 -39.33 81.2 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 127.164 2.186 . . . . 75.32 110.385 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 16.6 mt -86.32 -10.97 53.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.346 -0.843 . . . . 72.41 109.961 -175.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.2 47.09 14.86 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.547 1.939 . . . . 71.14 112.769 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.91 160.39 38.97 Favored Pre-proline 0 CA--C 1.511 -0.534 0 C-N-CA 125.061 1.344 . . . . 74.1 108.204 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.1 173.77 13.55 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.086 1.858 . . . . 73.11 113.871 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.62 -40.06 82.24 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 129.646 3.179 . . . . 74.52 112.653 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.43 64.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 128.499 2.719 . . . . 50.31 113.641 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 m -101.49 -26.13 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 120.833 -1.167 . . . . 73.42 112.084 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -66.26 -31.6 72.51 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.121 -1.612 . . . . 73.02 111.926 167.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.7 -19.58 61.38 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 113.646 0.98 . . . . 75.54 113.646 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.09 -39.0 90.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.456 -0.777 . . . . 72.23 113.071 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.9 t80 -60.71 -43.89 97.24 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.06 1.133 . . . . 72.22 114.06 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 45.5 p90 -72.29 -35.6 68.73 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.677 1.732 . . . . 74.4 115.677 176.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.03 -24.64 67.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.737 1.615 . . . . 71.4 113.52 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--N 1.349 0.551 0 C-N-CA 128.493 2.717 . . . . 71.22 111.654 178.589 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 CA--C 1.513 -0.468 0 CA-C-O 121.152 0.501 . . . . 74.51 110.088 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -90.94 131.96 36.24 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.031 0.932 . . . . 74.13 111.696 -161.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -59.44 -33.23 71.01 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.636 1.974 . . . . 75.35 113.705 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.5 -29.81 71.03 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 116.508 2.04 . . . . 71.41 116.508 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.63 85.51 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.009 0.822 . . . . 73.43 111.392 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.28 94.94 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.325 -1.484 . . . . 62.24 113.462 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -63.63 -41.24 98.29 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.389 1.076 . . . . 73.41 110.92 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 p -69.94 -40.46 78.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 121.275 -0.89 . . . . 72.35 111.425 172.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.6 mt -59.9 -45.93 94.51 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 O-C-N 119.374 -2.079 . . . . 61.34 113.007 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.39 -28.91 68.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 114.587 1.328 . . . . 74.43 114.587 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.424 ' SG ' HD21 ' A' ' 23' ' ' LEU . 43.8 t -66.41 -41.39 89.34 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 126.507 1.923 . . . . 74.43 114.171 173.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.0 -37.7 83.44 Favored 'General case' 0 C--N 1.367 1.333 0 O-C-N 118.917 -2.365 . . . . 75.31 112.192 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.26 -35.04 64.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.154 1.781 . . . . 72.23 115.368 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -82.74 -19.08 38.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.584 -0.698 . . . . 75.45 112.583 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mttm -111.14 37.44 2.84 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.075 1.75 . . . . 71.44 112.783 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 HD12 ' A' ' 62' ' ' LEU . 90.9 mt -84.42 -18.71 35.14 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 119.897 -1.752 . . . . 73.3 111.118 -177.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.18 -34.48 75.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.115 2.566 . . . . 70.53 109.651 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -65.2 -28.06 69.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 128.55 2.74 . . . . 74.34 111.791 179.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.505 HD12 HD21 ' A' ' 59' ' ' LEU . 68.9 mt -69.43 159.28 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 126.814 2.046 . . . . 73.01 112.098 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.07 131.13 43.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.806 -1.184 . . . . 74.14 111.793 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.29 -26.36 67.73 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.265 1.209 . . . . 75.12 114.265 -174.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.32 -34.62 66.72 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.172 1.389 . . . . 64.32 113.493 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.5 ptm -81.22 -12.43 59.15 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.73 -1.231 . . . . 72.44 112.254 177.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.28 32.0 20.62 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.041 2.536 . . . . 71.24 116.187 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.8 122.33 27.55 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.246 -1.534 . . . . 74.12 110.821 176.262 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -141.16 149.41 41.45 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.974 -1.491 . . . . 74.44 106.974 165.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.469 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.7 t60 -65.49 130.87 44.84 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.597 1.159 . . . . 73.44 111.313 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.49 -11.71 70.58 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 124.12 0.867 . . . . 74.43 115.051 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.71 26.87 8.58 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.685 1.243 . . . . 74.21 110.55 -172.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.98 83.71 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 114.42 1.267 . . . . 73.21 114.42 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.8 mtp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 119.644 1.111 . . . . 75.31 112.326 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.44 -44.99 70.17 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.281 0.845 . . . . 75.32 113.281 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.57 -47.83 84.47 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.672 1.989 . . . . 72.23 113.102 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 121.131 -0.981 . . . . 75.21 113.087 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.2 mtm -63.7 -36.33 83.5 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 114.037 1.125 . . . . 72.24 114.037 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.18 -27.65 68.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.673 -1.267 . . . . 72.05 112.504 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -94.18 13.61 22.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.659 1.583 . . . . 65.2 114.573 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.9 0.45 63.95 Favored Glycine 0 C--N 1.351 1.4 0 O-C-N 120.976 -1.078 . . . . 34.11 114.365 167.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.93 143.02 57.07 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 118.439 1.12 . . . . 73.14 111.365 163.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -81.85 170.55 15.53 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.621 -1.925 . . . . 71.22 108.164 167.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.62 -34.87 79.28 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.609 -1.307 . . . . 72.12 112.574 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.8 87.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.437 1.895 . . . . 73.42 112.542 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -67.96 -39.54 83.36 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.524 1.13 . . . . 71.22 112.282 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.4 86.61 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.694 0.798 . . . . 72.44 112.902 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -69.61 -29.04 66.46 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.825 -1.172 . . . . 71.14 111.742 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.78 -43.03 98.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.038 1.496 . . . . 74.41 115.038 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.43 -41.87 98.68 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 121.442 1.928 . . . . 74.33 112.343 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.89 -39.46 94.24 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.951 -1.093 . . . . 74.12 111.611 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.638 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.7 t70 -67.0 -41.23 87.07 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 115.085 1.513 . . . . 73.04 115.085 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.78 -44.8 91.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.454 1.101 . . . . 73.33 109.144 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -58.29 -50.64 72.9 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 123.396 0.678 . . . . 75.34 111.164 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.638 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.7 p80 -75.38 -27.98 59.33 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 117.715 -1.594 . . . . 75.21 109.38 -169.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.9 t -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.754 -1.566 . . . . 73.04 111.298 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.46 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.6 m -66.47 -32.61 74.09 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.505 1.298 . . . . 55.52 114.505 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.61 -24.71 66.87 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.727 1.211 . . . . 75.42 112.414 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -75.23 -40.17 59.27 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.212 1.805 . . . . 72.51 110.019 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 97' ' ' CYS . 26.1 m -96.24 -29.04 3.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.441 0.696 . . . . 75.02 111.378 -164.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.86 155.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 122.586 1.184 . . . . 75.14 113.583 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.9 m -66.75 123.52 20.34 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.827 -1.17 . . . . 73.13 111.682 164.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.41 132.14 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 0 C-N-CA 128.536 2.734 . . . . 70.14 103.729 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 t -112.64 128.15 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 106.265 -1.754 . . . . 75.23 106.265 177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.6 91.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.37 1.248 . . . . 64.11 114.37 171.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.75 -39.89 95.38 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.052 1.741 . . . . 53.23 113.567 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -130.13 98.6 20.91 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 117.619 -1.181 . . . . 72.22 109.212 -160.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.51 -13.9 38.5 Favored 'Trans proline' 0 C--N 1.326 -0.606 0 CA-C-N 123.908 2.432 . . . . 72.24 112.777 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.5 m -70.21 -44.81 67.87 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.999 1.319 . . . . 62.34 110.924 -174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.31 95.06 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.963 -1.086 . . . . 72.43 111.925 171.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.5 m -56.62 -46.55 80.87 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.267 0.485 . . . . 73.22 111.687 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.79 -48.42 71.83 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.61 -1.307 . . . . 70.23 113.805 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.18 79.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.223 1.409 . . . . 74.3 112.293 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -62.62 -41.38 98.98 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.481 0.712 . . . . 70.42 109.843 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.05 -46.18 88.7 Favored 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 121.278 -0.889 . . . . 65.03 112.544 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.85 99.66 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.576 1.15 . . . . 73.13 110.926 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -73.05 -28.94 62.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.294 -0.412 . . . . 73.11 110.832 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -69.79 -46.77 65.02 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 120.602 -1.311 . . . . 51.31 113.556 167.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -55.11 -47.63 74.72 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.073 1.509 . . . . 73.23 115.073 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.0 ttpp -62.78 -32.0 73.08 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-O 122.214 1.006 . . . . 75.13 111.075 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.03 99.84 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 122.688 1.232 . . . . 51.44 112.516 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.64 -46.83 71.32 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.164 1.786 . . . . 63.23 113.596 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' A' ' 120' ' ' LYS . 18.7 pt -67.29 -23.35 30.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 O-C-N 119.117 -2.24 . . . . 73.43 114.305 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.5 -42.33 98.64 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 124.717 1.207 . . . . 74.03 111.563 169.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -77.82 -23.01 49.16 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.286 0.847 . . . . 74.23 113.286 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.3 mt -66.64 153.97 41.75 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 127.544 2.338 . . . . 74.45 115.32 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.29 -0.12 48.23 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.121 1.368 . . . . 74.52 111.874 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 16.3 p-90 -132.64 155.64 48.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 106.81 -1.552 . . . . 74.23 106.81 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.82 119.09 39.95 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-O 118.455 -0.783 . . . . 73.34 111.202 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.1 152.76 67.68 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.52 2.146 . . . . 74.24 109.028 157.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -84.82 168.73 14.84 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 106.507 -1.664 . . . . 75.41 106.507 172.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -32.76 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.299 -1.5 . . . . 73.04 112.542 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.18 -39.93 88.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.582 0.753 . . . . 74.3 112.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -45.27 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 126.619 1.967 . . . . 75.11 112.152 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.55 82.99 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.329 0.862 . . . . 73.44 113.329 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.2 -30.01 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 C-N-CA 118.751 -1.18 . . . . 75.21 108.103 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.75 99.81 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 120.62 -0.8 . . . . 74.31 114.161 -172.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.53 -37.03 86.14 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.989 1.395 . . . . 75.42 113.629 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.83 -51.88 62.7 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.519 1.127 . . . . 62.41 112.688 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 56' ' ' ALA . 24.7 mt -68.27 -41.51 80.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.316 -1.311 . . . . 75.4 111.437 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.33 87.81 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 119.883 -1.761 . . . . 54.1 114.339 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.53 28.13 3.93 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.805 -1.184 . . . . 73.44 112.014 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.469 HG21 ' CE1' ' A' ' 70' ' ' HIS . 13.4 t . . . . . 0 C--O 1.264 1.841 0 O-C-N 119.508 -1.995 . . . . 65.32 113.792 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 CA-C-O 117.576 -1.093 . . . . 75.31 114.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -67.25 -42.83 83.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.465 1.939 . . . . 72.33 113.342 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.55 -31.79 67.39 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 72.24 112.191 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.39 93.56 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.075 -1.016 . . . . 74.23 112.682 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.48 -0.66 18.23 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.91 1.284 . . . . 50.33 113.709 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.9 -49.04 7.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.638 -1.914 . . . . 74.55 110.123 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.41 -37.85 36.2 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.256 -1.527 . . . . 74.44 114.321 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.7 -37.95 80.27 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 128.237 2.615 . . . . 74.43 110.265 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.68 -7.8 53.81 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.09 -1.414 . . . . 72.54 109.233 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 56.5 45.38 22.55 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 127.623 2.369 . . . . 75.23 113.547 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.92 158.77 41.48 Favored Pre-proline 0 C--N 1.349 0.576 0 C-N-CA 124.215 1.006 . . . . 64.24 109.004 -174.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.68 167.13 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.73 2.287 . . . . 74.14 113.836 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.98 -35.58 75.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.693 2.797 . . . . 60.4 109.126 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.22 -30.52 66.56 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 127.652 2.381 . . . . 74.11 114.38 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 m -99.58 -26.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 O-C-N 120.481 -1.387 . . . . 64.31 111.686 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -65.1 -29.53 70.4 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 118.474 -2.641 . . . . 62.12 112.173 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.55 -16.82 59.52 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 121.267 -0.896 . . . . 72.55 112.719 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -67.54 -29.15 68.47 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.0 -1.063 . . . . 72.22 111.427 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.36 -42.39 98.63 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.136 1.775 . . . . 75.42 114.612 166.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.07 -43.2 93.0 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.231 -1.543 . . . . 64.01 113.166 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -66.13 -25.02 66.78 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.297 1.839 . . . . 61.52 114.419 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--N 1.349 0.546 0 C-N-CA 126.776 2.031 . . . . 74.24 112.345 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.949 0.404 . . . . 74.45 111.622 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -83.79 134.61 34.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.167 0.987 . . . . 74.13 112.439 -162.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.02 -31.99 70.47 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 125.618 1.567 . . . . 72.32 113.756 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.9 -30.47 70.91 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 114.559 1.318 . . . . 63.52 114.559 171.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 118.107 0.412 . . . . 75.05 111.326 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.72 97.15 Favored Glycine 0 CA--C 1.487 -1.668 0 O-C-N 120.533 -1.354 . . . . 73.23 112.783 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.5 m -63.77 -40.42 96.65 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.88 0.872 . . . . 74.24 111.256 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.14 -42.88 85.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.128 -0.983 . . . . 71.42 111.712 171.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.71 -45.69 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 120.633 -1.292 . . . . 71.32 112.27 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.65 -28.11 67.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 114.661 1.356 . . . . 64.4 114.661 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.58 -42.88 99.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.84 1.656 . . . . 74.11 112.187 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -38.67 85.87 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 121.301 1.864 . . . . 73.12 113.739 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -56.37 -36.23 68.59 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 126.311 1.844 . . . . 73.54 115.076 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.89 -16.0 52.07 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.849 1.055 . . . . 73.23 113.849 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.4 mttm -116.14 45.49 1.75 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.414 -1.429 . . . . 61.14 112.167 -169.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD21 HD12 ' A' ' 62' ' ' LEU . 86.9 mt -91.66 -13.13 32.32 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 124.078 1.894 . . . . 75.42 110.263 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.27 -34.05 76.83 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 129.287 3.035 . . . . 72.32 110.473 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -68.18 -29.83 68.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 128.595 2.758 . . . . 73.43 110.89 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.514 HD12 HD21 ' A' ' 59' ' ' LEU . 61.1 mt -70.41 161.05 31.21 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.413 2.285 . . . . 64.22 110.636 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.06 138.09 45.69 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 120.378 -1.451 . . . . 73.34 112.778 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.47 -28.21 69.66 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.801 -1.187 . . . . 65.45 113.442 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -57.24 -37.44 72.29 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.095 1.758 . . . . 72.42 113.513 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.4 ptm -76.69 -14.77 59.93 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.857 -1.152 . . . . 70.21 112.317 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 m120 69.1 24.24 6.2 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 130.426 3.49 . . . . 75.21 117.002 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -79.01 123.78 27.63 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 119.562 -1.961 . . . . 74.24 112.238 179.562 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -141.01 158.61 43.69 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.344 -0.848 . . . . 75.43 109.258 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -67.11 132.33 47.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.802 0.841 . . . . 75.3 109.491 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.8 -13.49 42.57 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 121.1 -1.0 . . . . 74.51 114.273 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -90.47 15.35 10.89 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.795 1.638 . . . . 74.32 111.065 -171.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.8 76.15 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 127.43 2.292 . . . . 72.13 113.473 -169.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.3 mtt -59.9 -41.67 92.13 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.615 -1.303 . . . . 74.24 112.579 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.67 -42.45 24.73 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 123.863 1.792 . . . . 72.41 115.179 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 26.9 t80 -59.04 -44.83 91.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 111.841 -2.436 . . . . 74.3 113.014 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.32 85.28 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.751 -1.218 . . . . 53.44 113.138 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.9 mtm -62.93 -36.65 84.13 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.708 1.203 . . . . 73.03 113.432 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -60.87 -27.57 68.22 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.875 -1.141 . . . . 74.41 112.361 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 42.8 m170 -93.81 11.85 27.85 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.081 1.352 . . . . 74.12 114.236 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.44 2.59 63.53 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 120.727 -1.233 . . . . 73.34 114.638 169.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.92 144.5 56.2 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.646 1.223 . . . . 53.21 111.204 162.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.86 172.05 13.25 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.768 -1.833 . . . . 74.03 108.581 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -64.91 -31.81 73.22 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.452 -1.405 . . . . 75.35 112.95 -171.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.24 71.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.388 1.475 . . . . 73.34 112.408 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.05 -40.36 96.12 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.949 2.1 . . . . 72.21 113.102 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.59 88.86 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.828 1.251 . . . . 73.22 112.984 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -77.52 -27.82 51.87 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.683 0.793 . . . . 75.24 112.235 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -60.03 -42.26 94.01 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 114.764 1.394 . . . . 75.35 114.764 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.57 -41.64 99.06 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 120.929 1.695 . . . . 75.22 112.491 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.69 -39.52 93.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 120.99 -1.069 . . . . 72.45 111.684 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.624 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 33.4 t70 -66.24 -40.98 90.62 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.325 1.45 . . . . 74.32 114.858 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.94 -44.26 90.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 124.401 1.08 . . . . 75.03 109.843 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.14 -50.41 73.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 123.484 0.714 . . . . 72.01 111.13 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.624 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.2 p80 -73.53 -28.96 62.16 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 123.087 1.422 . . . . 75.43 109.585 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 t -65.53 -41.32 93.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.325 -1.761 . . . . 53.15 112.295 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.441 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.6 m -68.6 -35.65 77.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.543 1.312 . . . . 74.45 114.543 173.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.34 -29.42 68.88 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.79 1.236 . . . . 71.34 113.049 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -85.94 -19.48 30.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 122.773 0.429 . . . . 72.44 112.023 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -101.09 -31.2 3.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 O-C-N 121.402 -0.811 . . . . 71.31 111.314 -175.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.36 156.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.857 1.429 . . . . 73.54 114.857 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.5 m -68.35 126.68 30.37 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.956 -1.09 . . . . 71.41 112.315 164.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.8 mt -112.11 132.76 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 129.131 2.972 . . . . 73.22 103.709 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -114.19 128.34 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 105.81 -1.922 . . . . 73.15 105.81 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.43 90.02 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.44 1.274 . . . . 74.23 114.44 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.46 -38.39 90.87 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.462 1.505 . . . . 71.43 114.203 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -127.58 95.88 34.29 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-O 117.772 -1.109 . . . . 73.03 108.658 -162.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 -13.84 38.51 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 CA-C-N 123.772 2.383 . . . . 63.21 112.831 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.92 -44.18 70.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.004 1.322 . . . . 75.44 110.843 -175.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' CA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.77 -44.79 96.19 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 121.023 -1.048 . . . . 73.04 111.325 173.716 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 66.9 m -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.711 0.263 . . . . 74.24 111.711 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.7 tpt -65.92 -48.38 71.6 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.718 -1.239 . . . . 73.2 113.58 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -45.18 82.15 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.134 1.374 . . . . 72.43 112.333 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.67 -41.61 99.18 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.884 0.874 . . . . 75.14 109.801 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.31 -46.48 86.51 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.288 -0.882 . . . . 74.02 112.323 175.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.18 98.0 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.726 1.21 . . . . 74.11 111.112 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.2 ptm -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.1 -0.476 . . . . 74.42 111.051 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 47.9 t -69.31 -46.62 66.67 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 120.028 1.285 . . . . 75.03 113.468 167.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.19 -48.37 73.91 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 115.129 1.529 . . . . 72.24 115.129 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -63.85 -29.14 70.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-O 121.732 0.777 . . . . 63.32 111.916 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.36 96.71 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 122.544 1.164 . . . . 65.03 112.044 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.29 -46.32 73.94 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.645 1.578 . . . . 71.33 114.172 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.422 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.2 pt -67.26 -21.03 27.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 O-C-N 118.718 -2.489 . . . . 71.32 115.472 172.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -63.94 -39.78 94.93 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.174 -0.954 . . . . 74.21 111.601 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -77.45 -25.07 50.24 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.12 0.785 . . . . 70.01 113.12 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.8 mt -65.98 151.54 46.58 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.362 2.265 . . . . 75.32 115.282 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.69 0.08 45.0 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.744 -1.571 . . . . 71.41 112.789 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -132.63 154.87 49.65 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 105.791 -1.929 . . . . 74.13 105.791 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.13 38.18 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.448 -0.787 . . . . 75.31 111.147 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.55 153.57 65.2 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.358 2.039 . . . . 73.5 110.048 158.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.5 p -84.4 169.64 14.38 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 106.927 -1.508 . . . . 75.34 106.927 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -35.63 77.57 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.349 -1.47 . . . . 75.11 111.809 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -62.57 -26.06 68.39 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.367 1.067 . . . . 75.31 113.475 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.81 -46.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 126.58 1.952 . . . . 74.44 110.958 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.54 85.68 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.249 -1.532 . . . . 54.44 114.039 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.17 -29.28 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 O-C-N 120.722 -1.236 . . . . 72.22 108.24 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.02 -44.19 96.42 Favored Glycine 0 C--N 1.359 1.842 0 CA-C-O 119.779 -0.456 . . . . 74.53 113.237 -174.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.78 84.96 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 118.691 1.245 . . . . 71.42 113.447 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.53 -51.34 65.9 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.628 1.171 . . . . 72.13 112.827 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 68.2 mt -68.38 -38.43 81.35 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.457 -1.247 . . . . 75.03 111.754 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.451 -1.406 . . . . 71.44 114.521 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -96.67 33.36 1.86 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.2 -0.937 . . . . 72.54 111.74 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.261 1.676 0 O-C-N 119.93 -1.731 . . . . 73.22 114.472 178.704 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.456 -0.713 0 N-CA-C 114.472 0.912 . . . . 75.42 114.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.6 -42.61 51.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.602 1.092 . . . . 71.35 111.225 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.9 -32.05 65.08 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.319 -0.863 . . . . 72.05 111.722 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.75 96.4 Favored 'General case' 0 CA--C 1.503 -0.843 0 O-C-N 121.478 -0.764 . . . . 72.31 112.618 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.8 t -61.06 -46.03 92.32 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 108.282 -1.007 . . . . 61.12 108.282 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.15 -43.3 92.07 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.02 -1.675 . . . . 65.23 112.566 -172.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.63 -38.66 54.33 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 114.356 1.243 . . . . 70.43 114.356 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.63 -39.23 83.62 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 126.085 1.754 . . . . 75.12 110.653 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 15.6 mt -84.52 -11.97 55.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.215 -0.902 . . . . 74.12 110.111 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.6 47.4 13.29 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.852 2.061 . . . . 70.04 112.998 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.26 157.56 50.83 Favored Pre-proline 0 C--N 1.348 0.502 0 C-N-CA 124.698 1.199 . . . . 74.21 108.427 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 165.65 30.93 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.206 1.937 . . . . 62.42 113.138 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.22 -25.68 68.18 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 127.584 2.354 . . . . 73.41 110.257 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.86 69.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.378 1.871 . . . . 73.12 114.179 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.34 -24.92 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 120.763 -1.211 . . . . 74.41 111.233 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.85 -29.88 69.91 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 118.569 -2.582 . . . . 74.42 111.112 171.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -77.13 -16.64 59.09 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 121.319 -0.863 . . . . 71.13 112.163 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -67.55 -28.74 68.05 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.864 -1.148 . . . . 74.03 111.444 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.811 2.045 . . . . 75.4 114.367 166.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.54 -42.91 98.38 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.234 -1.541 . . . . 72.45 112.785 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -65.52 -29.47 70.11 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 126.549 1.939 . . . . 71.14 114.144 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.346 0.441 0 C-N-CA 127.593 2.357 . . . . 72.44 112.667 -179.576 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 CA--C 1.514 -0.405 0 CA-C-O 121.132 0.491 . . . . 74.11 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -88.09 132.5 34.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.152 0.981 . . . . 74.24 111.682 -164.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 126.259 1.824 . . . . 75.41 113.57 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.44 -31.77 72.53 Favored 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 115.637 1.717 . . . . 71.1 115.637 170.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.63 91.43 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 121.373 0.606 . . . . 62.22 110.911 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -39.93 97.6 Favored Glycine 0 CA--C 1.487 -1.684 0 O-C-N 120.773 -1.204 . . . . 72.53 112.678 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.67 -41.33 98.18 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.706 0.802 . . . . 74.04 111.19 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 p -68.88 -41.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 121.081 -1.012 . . . . 75.55 111.933 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.92 -46.02 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 O-C-N 119.858 -1.776 . . . . 72.42 112.294 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.57 -29.09 68.37 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.441 1.645 . . . . 74.14 115.441 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.98 -41.99 99.71 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 127.661 2.384 . . . . 73.3 112.904 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.19 -35.62 75.78 Favored 'General case' 0 C--N 1.366 1.322 0 CA-C-N 120.05 1.295 . . . . 70.22 113.852 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -56.5 -38.33 71.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.988 1.477 . . . . 73.42 114.988 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.95 -40.78 75.23 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 122.454 1.121 . . . . 73.41 112.521 169.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 69.1 mttm -89.24 42.68 1.1 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.155 1.782 . . . . 74.41 113.807 -170.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD21 HD12 ' A' ' 62' ' ' LEU . 85.1 mt -91.54 -16.55 27.0 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 123.736 1.731 . . . . 75.51 109.767 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -62.13 -34.6 76.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 128.105 2.562 . . . . 73.31 110.115 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -67.58 -28.86 68.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.53 2.732 . . . . 74.23 111.901 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD12 HD21 ' A' ' 59' ' ' LEU . 77.7 mt -69.88 157.6 37.11 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.599 1.959 . . . . 70.12 112.472 -173.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.4 131.2 43.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 121.031 -1.043 . . . . 71.4 111.552 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -60.81 -25.98 66.97 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.23 1.412 . . . . 74.5 113.974 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.5 -34.95 65.06 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 125.309 1.444 . . . . 64.53 113.43 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -76.09 -21.9 56.2 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.746 -1.221 . . . . 74.42 112.401 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 63.3 37.55 10.93 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.594 3.157 . . . . 72.54 117.921 -173.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.79 125.18 33.77 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.098 -1.626 . . . . 72.43 110.704 173.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.13 165.45 26.05 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 118.106 -1.437 . . . . 73.24 107.422 159.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.13 131.63 46.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.979 -1.701 . . . . 75.41 113.632 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.3 -12.0 70.73 Favored Glycine 0 C--N 1.348 1.22 0 C-N-CA 125.403 1.478 . . . . 74.24 116.718 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 19.53 20.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 120.841 2.321 . . . . 75.42 112.916 -160.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.87 66.96 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 127.486 2.314 . . . . 72.1 113.803 -168.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mtt -60.33 -38.76 84.76 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.994 1.27 . . . . 75.22 112.93 -175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.71 -44.71 32.32 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.234 0.827 . . . . 73.43 113.234 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 34.0 t80 -60.43 -44.09 96.13 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.662 2.385 . . . . 74.11 114.291 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.22 81.78 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 124.352 1.061 . . . . 74.04 113.1 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.4 -35.78 81.54 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 114.234 1.198 . . . . 72.55 114.234 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.94 -28.45 68.97 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.842 -1.161 . . . . 72.43 112.208 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.577 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 37.7 m170 -94.84 12.66 27.3 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 125.636 1.574 . . . . 72.53 114.171 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.61 0.64 64.47 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 120.948 -1.095 . . . . 64.15 114.337 168.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 143.39 55.85 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.513 1.157 . . . . 74.3 110.812 162.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -83.03 173.44 11.76 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.549 -1.969 . . . . 71.4 108.301 169.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.34 -32.23 73.75 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.248 -1.533 . . . . 71.42 112.864 -172.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.13 75.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.783 1.633 . . . . 71.33 112.194 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.23 -40.73 96.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.994 1.718 . . . . 73.44 112.974 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.36 89.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.292 1.037 . . . . 74.12 112.699 176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.11 -28.7 61.48 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.629 0.772 . . . . 73.51 111.819 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.8 -42.94 98.62 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 115.139 1.533 . . . . 72.13 115.139 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.13 -41.41 99.31 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 121.33 1.877 . . . . 74.53 112.275 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.09 -40.1 95.49 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.915 -1.116 . . . . 64.2 111.923 172.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.02 -42.6 94.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.294 1.438 . . . . 74.11 112.78 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.5 -45.03 94.2 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 124.525 1.13 . . . . 74.41 109.974 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.38 -55.39 35.35 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 121.865 -0.522 . . . . 72.21 111.638 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -70.93 -25.34 62.71 Favored 'General case' 0 N--CA 1.439 -1.023 0 O-C-N 120.677 -1.264 . . . . 73.43 112.054 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.76 -42.21 91.16 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 122.846 1.307 . . . . 73.0 112.666 170.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.441 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.9 m -68.05 -34.7 76.94 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.702 -1.249 . . . . 61.54 114.105 174.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.37 -29.07 68.69 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.092 1.357 . . . . 75.11 113.003 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -19.29 29.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.198 0.444 . . . . 75.4 112.198 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.54 -30.29 3.24 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 121.4 -0.813 . . . . 64.42 111.29 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.09 155.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 N-CA-C 114.876 1.436 . . . . 74.51 114.876 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -66.76 127.02 30.85 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 121.049 -1.032 . . . . 63.43 112.428 164.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -112.13 133.03 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.61 0 C-N-CA 129.445 3.098 . . . . 74.54 103.222 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -112.34 129.54 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.478 -2.045 . . . . 70.03 105.478 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.27 98.95 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 113.46 0.911 . . . . 74.41 113.46 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -77.22 -24.02 51.33 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.058 1.873 . . . . 71.35 116.058 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -133.91 97.78 15.08 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-O 117.869 -1.063 . . . . 71.42 109.385 -168.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -68.77 -13.59 37.29 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 CA-C-N 123.741 2.372 . . . . 74.13 112.704 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.2 m -70.4 -45.21 66.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 124.82 1.248 . . . . 64.42 111.188 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.405 1.082 . . . . 74.01 111.938 172.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.8 m -55.03 -47.51 74.63 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 123.823 0.849 . . . . 73.24 111.178 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -46.45 62.46 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.36 -1.463 . . . . 73.41 113.862 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.81 92.2 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.021 -1.675 . . . . 75.3 112.607 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.3 -41.61 98.65 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.725 0.81 . . . . 74.24 109.849 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.75 -47.03 85.3 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 121.345 -0.847 . . . . 74.34 112.422 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.05 98.42 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.342 1.457 . . . . 71.52 110.432 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.92 -31.28 68.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 119.384 -0.341 . . . . 75.44 110.59 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.8 t -70.11 -46.44 64.8 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 120.797 -1.189 . . . . 61.13 113.556 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.65 -47.77 76.1 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 114.751 1.389 . . . . 71.3 114.751 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.452 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.6 tptt -61.56 -33.17 73.4 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.804 1.241 . . . . 73.41 112.142 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.98 99.73 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.495 1.141 . . . . 64.22 112.501 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -67.28 -47.13 71.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.032 1.333 . . . . 72.24 114.239 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.452 HG12 ' HA ' ' A' ' 120' ' ' LYS . 17.4 pt -67.61 -22.41 28.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 O-C-N 118.989 -2.32 . . . . 72.24 114.359 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -42.88 99.67 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.918 1.287 . . . . 72.42 111.627 168.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -78.22 -23.46 47.43 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.483 0.92 . . . . 74.14 113.483 -171.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.0 mt -65.95 153.19 42.75 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.326 2.25 . . . . 75.21 115.138 -177.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.13 -0.06 50.5 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.026 1.33 . . . . 64.45 112.066 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.2 154.29 48.57 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 106.198 -1.779 . . . . 74.34 106.198 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.31 117.49 38.62 Favored Pre-proline 0 N--CA 1.445 -0.698 0 CA-C-O 118.525 -0.75 . . . . 70.52 111.213 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.61 148.03 65.13 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.26 1.973 . . . . 72.22 109.804 158.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.28 167.84 19.1 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.754 0.788 . . . . 73.32 109.112 164.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.57 -34.24 75.25 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.56 -1.337 . . . . 73.13 111.382 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -62.14 -26.49 68.35 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 123.887 0.875 . . . . 74.34 113.129 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -45.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 126.65 1.98 . . . . 70.12 111.588 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.32 82.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.49 -1.381 . . . . 71.31 114.078 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.1 -28.47 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 120.655 -1.278 . . . . 73.02 108.343 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.0 96.42 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 119.413 -0.659 . . . . 75.54 113.257 -176.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.19 77.56 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.161 1.481 . . . . 75.3 113.039 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.76 -55.97 24.48 Favored 'General case' 0 CA--C 1.478 -1.806 0 O-C-N 121.462 -0.774 . . . . 74.51 112.686 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 76.2 mt -66.98 -37.13 83.69 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.578 -0.737 . . . . 73.24 112.737 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.04 94.81 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.848 -1.158 . . . . 74.53 114.012 173.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 121.422 -0.799 . . . . 72.22 111.294 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--O 1.259 1.597 0 N-CA-C 115.467 1.655 . . . . 74.05 115.467 -176.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.518 2.947 0 N-CA-C 115.5 1.667 . . . . 63.0 115.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.71 -36.78 81.26 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.547 -1.345 . . . . 64.25 113.179 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -83.16 0.21 46.34 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.908 -1.12 . . . . 72.13 113.411 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.37 -46.07 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 114.603 -1.181 . . . . 74.0 110.156 166.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 68.1 mtt -68.67 -41.09 79.74 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.749 1.388 . . . . 74.44 114.749 -148.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -81.83 153.96 26.15 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 122.125 0.965 . . . . 75.22 111.582 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.96 -41.63 97.52 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.292 1.437 . . . . 60.53 112.923 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.5 ttp -99.83 129.52 45.94 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.703 -1.221 . . . . 74.34 107.703 170.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -142.43 155.0 45.06 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 105.378 -2.082 . . . . 65.42 105.378 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.5 mm -116.53 117.67 56.25 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 109.053 -0.721 . . . . 75.11 109.053 -167.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.83 -40.15 94.71 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.88 1.272 . . . . 72.54 113.411 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -82.51 2.63 31.97 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.147 1.166 . . . . 74.13 114.147 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.73 61.51 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 115.979 1.844 . . . . 55.21 115.979 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -60.19 -46.6 97.83 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-O 116.506 -1.711 . . . . 62.52 114.145 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.51 -25.28 35.26 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 124.967 2.81 . . . . 72.44 113.992 168.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.2 ttm -79.98 -41.52 25.76 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 118.83 0.741 . . . . 74.42 111.222 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -69.79 -33.13 71.95 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.163 0.985 . . . . 73.44 111.211 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.38 96.97 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.55 1.14 . . . . 73.31 112.151 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 t -60.15 -46.36 89.95 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 108.591 -0.892 . . . . 60.51 108.591 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.6 -42.79 93.39 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.03 -1.669 . . . . 73.5 112.517 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.92 -38.0 54.29 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.369 1.248 . . . . 75.24 114.369 175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.91 -39.16 80.67 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.67 1.988 . . . . 71.14 110.887 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 16.8 mt -85.21 -11.48 54.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.403 -0.817 . . . . 71.25 109.894 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.52 47.05 14.02 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.848 2.059 . . . . 75.32 112.907 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.38 157.0 50.41 Favored Pre-proline 0 C--N 1.347 0.493 0 C-N-CA 124.337 1.055 . . . . 64.31 109.171 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.33 166.66 28.36 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.455 2.104 . . . . 72.25 113.574 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -64.33 -24.51 67.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 128.296 2.638 . . . . 75.41 110.19 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.47 70.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 126.256 1.822 . . . . 72.42 113.613 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 m -102.1 -21.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 O-C-N 120.325 -1.485 . . . . 74.14 112.201 -171.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -69.08 -32.29 71.63 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.307 -1.496 . . . . 72.3 110.75 167.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -75.72 -17.94 59.76 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.611 -1.305 . . . . 74.43 112.612 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.11 -39.8 87.43 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.006 -1.059 . . . . 73.1 112.727 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -59.74 -40.46 88.16 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 126.502 1.921 . . . . 73.51 115.285 167.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -62.59 -43.9 97.65 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 120.183 -1.573 . . . . 73.33 113.542 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.98 -29.49 70.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.652 1.981 . . . . 72.01 114.545 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -57.3 -39.06 74.99 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 128.017 2.527 . . . . 75.52 112.727 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -67.3 -22.25 65.64 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.15 0.796 . . . . 72.4 113.15 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.04 127.55 31.77 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 121.653 0.739 . . . . 72.31 110.664 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -71.39 129.75 39.6 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.953 -1.717 . . . . 74.35 114.549 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.7 66.92 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 124.261 0.934 . . . . 73.41 113.631 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -71.34 135.43 47.33 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 118.78 1.29 . . . . 75.33 111.697 -169.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -86.71 78.28 9.15 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.636 -1.29 . . . . 75.43 113.244 -163.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -97.3 115.26 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.726 -1.213 . . . . 73.44 107.726 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p -120.82 0.61 10.36 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.733 1.213 . . . . 72.11 111.026 -173.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -85.59 131.49 34.35 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.882 0.873 . . . . 75.33 111.806 -163.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.84 -32.58 70.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.06 1.744 . . . . 74.0 113.354 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.64 -31.35 72.19 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.874 1.805 . . . . 75.14 115.874 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.61 89.05 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.738 0.699 . . . . 75.11 111.11 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.05 96.28 Favored Glycine 0 CA--C 1.487 -1.69 0 O-C-N 120.5 -1.375 . . . . 64.51 112.839 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.49 -41.56 98.54 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.112 0.965 . . . . 73.4 111.021 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.3 -40.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.225 -0.922 . . . . 74.43 112.178 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.78 -45.79 97.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 O-C-N 119.787 -1.821 . . . . 73.34 112.526 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.22 -29.1 67.86 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.999 1.481 . . . . 72.33 114.999 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.404 ' SG ' HD21 ' A' ' 23' ' ' LEU . 44.3 t -63.0 -42.47 99.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.583 2.353 . . . . 52.11 113.326 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.39 -37.56 81.2 Favored 'General case' 0 C--N 1.368 1.372 0 CA-C-N 120.366 1.439 . . . . 73.12 113.762 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.3 -37.29 69.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.332 1.605 . . . . 73.31 115.332 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -40.02 73.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 122.211 1.005 . . . . 75.54 112.857 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.92 38.48 1.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.255 1.822 . . . . 73.24 112.303 -168.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 62' ' ' LEU . 88.5 mt -85.97 -16.89 36.9 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 123.649 1.69 . . . . 64.03 109.501 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -61.15 -34.03 74.36 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 128.183 2.593 . . . . 75.12 110.024 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -28.27 67.32 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 129.13 2.972 . . . . 65.13 111.901 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.522 HD12 HD21 ' A' ' 59' ' ' LEU . 72.5 mt -69.45 159.85 32.49 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.873 2.069 . . . . 73.5 111.582 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -74.94 139.56 43.11 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.726 -1.234 . . . . 72.02 109.141 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.59 -27.32 67.64 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.983 1.105 . . . . 75.13 113.983 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -58.59 -34.22 70.84 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.692 -1.255 . . . . 73.44 113.699 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ptp -80.31 -11.19 59.74 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.795 -1.191 . . . . 70.14 112.395 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.54 23.33 11.8 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.204 3.002 . . . . 74.41 115.62 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -81.74 123.62 28.91 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 119.715 -1.866 . . . . 72.02 111.414 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -141.29 152.65 44.66 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.816 -1.179 . . . . 72.3 107.816 166.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -67.81 129.54 40.22 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.571 1.177 . . . . 73.54 113.503 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.65 -8.81 79.23 Favored Glycine 0 C--N 1.347 1.165 0 C-N-CA 124.545 1.069 . . . . 53.12 114.757 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -102.54 22.38 13.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.038 -1.272 . . . . 73.45 111.441 -170.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.15 81.84 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 114.533 1.309 . . . . 73.32 114.533 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.0 mtt -61.36 -40.51 94.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.436 1.016 . . . . 75.25 112.305 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -73.2 -44.61 59.46 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.575 0.75 . . . . 74.25 112.724 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.07 -47.5 85.61 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 126.656 1.983 . . . . 75.33 113.331 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.89 93.52 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 121.044 -1.035 . . . . 75.31 113.074 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.0 mtp -63.49 -36.84 85.09 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.693 1.197 . . . . 75.43 113.63 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.37 -27.74 68.73 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.865 -1.147 . . . . 73.12 112.485 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -94.23 13.59 22.89 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.738 1.615 . . . . 74.24 114.556 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.05 0.89 63.33 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.969 -1.082 . . . . 31.44 114.284 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 142.33 57.28 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 118.394 1.097 . . . . 63.24 111.329 163.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.05 169.38 16.77 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.391 -2.068 . . . . 74.31 107.803 168.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.78 -34.31 78.03 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.568 -1.333 . . . . 70.12 112.798 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.69 90.09 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.628 1.971 . . . . 63.41 112.346 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.98 -35.76 66.94 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 121.123 -0.986 . . . . 64.15 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.65 85.0 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.897 0.879 . . . . 74.43 112.909 175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.26 -28.23 66.14 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.776 -1.203 . . . . 74.31 112.394 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -42.43 97.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 115.014 1.487 . . . . 75.22 115.014 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.2 mt -63.43 -41.24 98.67 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 121.748 2.067 . . . . 73.43 112.644 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.07 -40.87 97.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.354 -0.841 . . . . 73.14 111.766 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.75 -42.59 97.81 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.573 -1.329 . . . . 75.21 112.328 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -44.75 93.16 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 C-N-CA 124.363 1.065 . . . . 62.31 110.406 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -58.47 -56.79 17.56 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 121.777 -0.577 . . . . 73.24 111.935 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -68.58 -29.35 67.87 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 121.27 -0.894 . . . . 74.54 110.824 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 t -66.74 -40.21 88.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-O 122.518 1.151 . . . . 74.31 113.336 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.452 ' HA ' HG23 ' A' ' 100' ' ' VAL . 18.5 m -68.32 -34.91 76.98 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.569 1.548 . . . . 71.01 114.452 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.26 -32.2 70.93 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.342 1.057 . . . . 72.15 111.347 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -83.66 -19.63 35.01 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.328 0.651 . . . . 70.25 111.797 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.2 m -100.48 -30.61 3.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.151 0 O-C-N 121.505 -0.747 . . . . 74.0 111.193 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.79 155.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 N-CA-C 114.64 1.348 . . . . 74.44 114.64 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.1 m -66.8 126.84 30.29 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.95 -1.094 . . . . 42.03 112.34 164.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.7 mt -112.63 132.78 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.641 0 C-N-CA 129.239 3.016 . . . . 73.13 103.675 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 t -114.41 128.69 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 N-CA-C 105.796 -1.928 . . . . 72.12 105.796 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.59 91.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.702 1.371 . . . . 75.42 114.702 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.14 -37.76 88.46 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.409 1.484 . . . . 73.53 114.593 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -127.5 92.93 41.9 Favored Pre-proline 0 C--N 1.348 0.52 0 CA-C-O 118.332 -0.842 . . . . 75.21 108.886 -162.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.12 -14.12 37.54 Favored 'Trans proline' 0 C--N 1.33 -0.404 0 C-N-CA 122.649 2.233 . . . . 74.52 112.609 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.55 -42.7 70.81 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.786 1.234 . . . . 62.33 110.575 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.4 ' CA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -62.05 -44.88 95.74 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 121.272 -0.892 . . . . 71.22 111.09 173.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.9 m -55.99 -46.29 78.73 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.72 0.267 . . . . 62.41 111.72 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.32 -48.75 69.31 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.743 -1.223 . . . . 73.52 113.929 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -44.66 82.63 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.388 1.475 . . . . 75.24 112.102 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.74 -42.01 99.46 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 123.73 0.812 . . . . 73.45 109.858 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.05 -47.23 83.88 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.569 -0.707 . . . . 74.53 112.422 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.77 97.55 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.605 1.162 . . . . 73.53 110.771 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -71.73 -29.61 64.71 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-O 119.205 -0.426 . . . . 73.24 110.51 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.78 -46.13 69.53 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 119.943 1.247 . . . . 61.0 113.365 167.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -54.49 -48.05 72.31 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.06 1.504 . . . . 73.42 115.06 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 123' ' ' ILE . 11.1 mmmm -63.49 -29.32 70.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.754 -0.591 . . . . 71.03 112.367 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.12 97.94 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.658 1.218 . . . . 73.13 111.78 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.95 -46.17 68.86 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.113 1.153 . . . . 71.04 114.113 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 120' ' ' LYS . 23.5 pt -67.01 -22.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 119.117 -2.239 . . . . 71.5 114.719 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.97 -39.98 94.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.452 1.101 . . . . 64.54 111.371 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -70.63 -28.81 65.11 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.139 0.975 . . . . 75.31 113.369 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.42 152.89 44.77 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 126.947 2.099 . . . . 73.12 115.275 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.34 0.09 53.16 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.848 1.259 . . . . 71.13 111.872 -176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -130.81 155.26 47.0 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.206 -1.405 . . . . 73.3 107.206 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.78 119.54 41.0 Favored Pre-proline 0 N--CA 1.443 -0.779 0 CA-C-O 118.49 -0.767 . . . . 71.31 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.77 152.15 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.513 2.142 . . . . 73.45 109.345 156.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.0 p -89.8 169.76 10.99 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 107.039 -1.467 . . . . 71.45 107.039 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.41 -24.12 67.7 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.355 -1.466 . . . . 73.25 113.478 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 119.922 -1.736 . . . . 74.22 112.381 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.94 -43.03 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 C-N-CA 126.099 1.76 . . . . 73.13 113.553 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.64 81.02 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.539 1.063 . . . . 73.2 112.581 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -35.91 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 121.504 -0.748 . . . . 75.24 110.047 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.19 99.71 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-O 119.018 -0.879 . . . . 72.25 114.022 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.12 -37.4 87.32 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.517 1.658 . . . . 74.12 113.661 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.04 -51.33 68.41 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 113.655 0.983 . . . . 74.35 113.655 171.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 56' ' ' ALA . 37.4 mt -69.39 -40.64 77.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.498 -1.228 . . . . 73.4 111.829 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.72 94.57 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.183 -1.573 . . . . 71.51 113.554 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -96.7 32.82 1.97 Allowed 'General case' 0 C--N 1.352 0.675 0 O-C-N 121.304 -0.872 . . . . 72.01 111.374 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.261 1.681 0 O-C-N 120.006 -1.684 . . . . 74.22 114.414 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.515 2.815 0 N-CA-C 114.81 1.411 . . . . 73.42 114.81 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -66.92 -45.17 78.73 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.623 -1.298 . . . . 74.3 113.408 -172.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -80.62 -2.08 44.99 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 122.746 1.26 . . . . 70.42 114.279 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.39 -46.21 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 125.287 1.435 . . . . 74.21 110.91 168.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.91 -42.09 90.62 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 113.884 1.068 . . . . 73.25 113.884 -146.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -140.31 142.78 35.62 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 104.428 -2.434 . . . . 74.03 104.428 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.19 145.58 55.62 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 122.007 0.908 . . . . 75.42 113.115 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -75.38 135.75 40.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 122.046 0.927 . . . . 73.03 113.116 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -124.36 159.71 29.75 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.971 -2.233 . . . . 72.14 104.971 165.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -100.6 104.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 106.423 -1.695 . . . . 71.22 106.423 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -146.58 156.19 43.04 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 104.871 -2.27 . . . . 74.12 104.871 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -84.15 50.01 1.76 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-O 123.285 1.517 . . . . 73.32 111.636 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.22 -41.51 96.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 117.905 2.557 . . . . 75.22 117.905 -169.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.84 -46.72 92.72 Favored Pre-proline 0 C--N 1.353 0.728 0 CA-C-O 116.418 -1.753 . . . . 65.13 113.914 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.41 -27.88 18.7 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 CA-C-N 124.969 2.81 . . . . 70.24 113.434 167.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 ttm -68.55 -44.24 74.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.255 1.389 . . . . 74.53 111.76 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.24 -33.99 72.31 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.13 0.972 . . . . 71.52 111.618 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.87 86.0 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.879 0.872 . . . . 65.42 111.773 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -71.68 -1.76 14.91 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 125.207 1.403 . . . . 73.11 114.561 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 -48.25 7.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 119.811 -1.806 . . . . 74.44 110.01 165.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.61 -35.22 30.33 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.636 -1.915 . . . . 75.24 114.593 -173.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.53 -38.16 77.18 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 128.325 2.65 . . . . 75.11 110.49 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.47 -9.19 51.0 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.224 -1.353 . . . . 64.51 109.187 -173.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.5 46.01 15.6 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.651 1.98 . . . . 73.34 112.924 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.82 159.11 41.96 Favored Pre-proline 0 C--N 1.351 0.654 0 C-N-CA 124.728 1.211 . . . . 73.44 110.078 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.7 166.41 29.4 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.635 2.223 . . . . 72.51 114.214 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.66 -29.61 70.82 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 129.003 2.921 . . . . 75.24 109.628 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.73 73.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 126.887 2.075 . . . . 64.04 114.386 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.6 m -97.41 -23.38 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 O-C-N 119.958 -1.714 . . . . 71.53 111.973 -172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -31.35 70.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.201 -1.562 . . . . 73.13 110.621 171.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.69 -17.06 59.34 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 121.093 -1.004 . . . . 72.43 112.35 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.66 -37.68 79.39 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 121.321 -0.862 . . . . 53.41 112.925 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -59.59 -40.72 88.36 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 125.276 1.43 . . . . 74.05 114.55 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.73 -41.22 88.26 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 119.731 -1.856 . . . . 65.5 113.655 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.15 -24.52 67.42 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.805 2.042 . . . . 71.5 114.162 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.64 -40.85 76.13 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 127.451 2.3 . . . . 74.35 112.409 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -76.82 -12.42 59.97 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.548 -0.72 . . . . 74.51 111.842 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -63.87 127.03 29.59 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 122.054 0.931 . . . . 71.11 111.952 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.21 132.76 42.47 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.188 -1.57 . . . . 74.3 110.599 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.61 68.7 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-O 119.397 -0.668 . . . . 72.42 113.25 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -95.56 138.74 32.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.258 1.529 . . . . 74.52 112.315 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -113.78 112.32 23.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.106 -1.072 . . . . 70.11 108.106 172.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.6 mm -98.97 122.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.274 -1.01 . . . . 72.43 108.274 171.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -117.93 -1.9 11.4 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.442 1.497 . . . . 74.51 111.521 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -85.39 129.92 34.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.31 -0.869 . . . . 55.21 111.288 -165.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -59.98 -31.4 69.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 126.394 1.877 . . . . 64.45 114.443 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -62.2 -29.72 70.58 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 115.055 1.502 . . . . 72.45 115.055 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.49 91.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.481 0.582 . . . . 74.53 111.401 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -37.98 94.29 Favored Glycine 0 CA--C 1.489 -1.563 0 O-C-N 120.062 -1.649 . . . . 43.35 113.083 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.4 m -63.55 -41.0 98.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.448 1.099 . . . . 73.32 111.044 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.65 -42.68 86.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 121.338 -0.851 . . . . 73.4 111.594 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.86 -46.35 93.9 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 120.961 -1.087 . . . . 72.23 112.561 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.31 -28.32 67.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.38 1.252 . . . . 65.12 114.38 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.8 t -62.75 -43.06 99.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.212 1.405 . . . . 71.24 112.326 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.8 -35.68 77.08 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 121.144 1.793 . . . . 72.14 113.326 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.66 -39.09 70.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 115.863 1.801 . . . . 74.21 115.863 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -70.22 -41.79 73.13 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 122.571 1.177 . . . . 74.04 111.57 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.6 mttm -92.07 49.47 1.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.28 1.432 . . . . 75.53 113.072 -169.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD21 HD12 ' A' ' 62' ' ' LEU . 86.1 mt -93.26 -17.73 23.3 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.593 1.664 . . . . 72.32 109.699 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -31.74 72.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 127.283 2.233 . . . . 75.43 109.743 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -68.21 -28.06 66.92 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.727 3.211 . . . . 75.22 111.8 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 59' ' ' LEU . 75.1 mt -69.74 158.29 35.7 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 126.991 2.117 . . . . 73.0 112.524 -173.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.97 130.25 40.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.212 -0.904 . . . . 75.54 111.102 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.77 -26.98 67.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 125.192 1.397 . . . . 72.43 114.016 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.02 -32.43 66.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 125.65 1.58 . . . . 71.31 114.212 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 ptp -82.16 -11.46 58.71 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.136 1.334 . . . . 75.33 111.728 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 63.94 28.01 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 128.898 2.879 . . . . 72.44 115.37 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -80.5 123.14 27.83 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 119.736 -1.853 . . . . 75.32 110.038 178.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -141.02 150.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 106.767 -1.568 . . . . 72.54 106.767 163.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.52 133.52 51.42 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.903 1.281 . . . . 72.34 111.836 -173.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.94 -12.68 63.21 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 123.641 0.639 . . . . 62.31 114.212 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -102.87 22.92 12.97 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.625 1.57 . . . . 75.43 110.407 -169.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.35 81.37 Favored 'General case' 0 CA--C 1.49 -1.361 0 C-N-CA 125.503 1.521 . . . . 73.12 114.045 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.3 mtp -61.16 -40.58 94.41 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 119.343 0.974 . . . . 71.41 112.516 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -70.95 -44.77 65.39 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.214 0.82 . . . . 71.4 113.214 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.51 -47.64 85.26 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.98 2.112 . . . . 75.01 113.143 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.58 91.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.138 0.975 . . . . 72.33 112.97 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.47 -35.67 81.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.807 1.243 . . . . 73.0 114.021 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -28.45 69.48 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 120.745 -1.222 . . . . 74.23 112.108 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.7 15.31 20.41 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.247 1.819 . . . . 75.4 114.418 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.42 -2.72 63.14 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 121.218 -0.926 . . . . 74.52 113.885 165.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.57 58.42 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 118.294 1.047 . . . . 75.23 111.929 165.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -81.33 170.44 16.01 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.342 -2.099 . . . . 70.31 108.628 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -65.01 -34.88 79.5 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.563 -1.336 . . . . 73.15 112.694 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.06 83.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.479 1.912 . . . . 75.42 112.335 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.6 -38.9 84.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.943 1.297 . . . . 74.14 112.267 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.618 0.97 . . . . 64.33 113.618 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -68.34 -29.54 68.3 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.585 -1.322 . . . . 74.4 111.767 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -60.6 -42.97 97.85 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.267 1.58 . . . . 75.15 115.267 170.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.46 -42.24 98.61 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.888 2.131 . . . . 73.33 112.022 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.71 -39.93 95.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.017 -1.052 . . . . 74.41 112.118 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.708 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 95.4 m-20 -67.02 -41.07 87.26 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 116.793 2.146 . . . . 72.12 116.793 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.69 -43.37 87.49 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 CA-C-N 120.016 1.28 . . . . 74.22 109.438 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD2' HD23 ' A' ' 139' ' ' LEU . 54.4 tttt -55.6 -51.64 66.47 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.546 0.572 . . . . 73.01 112.546 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.708 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 26.3 p80 -76.03 -26.17 56.38 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 120.035 -1.666 . . . . 75.31 110.734 -170.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 t -65.49 -40.86 93.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 112.353 -2.203 . . . . 74.4 113.045 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.44 ' HA ' HG23 ' A' ' 100' ' ' VAL . 19.7 m -69.89 -35.79 74.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.885 1.439 . . . . 73.13 114.885 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.63 -28.91 68.91 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.393 1.477 . . . . 75.33 112.888 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -85.3 -19.34 31.68 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.677 0.791 . . . . 73.51 112.001 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -102.58 -31.7 3.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 O-C-N 121.33 -0.856 . . . . 75.5 111.386 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -70.6 154.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.351 1.241 . . . . 74.14 114.351 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.6 m -66.42 126.01 27.48 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.79 -1.193 . . . . 65.14 112.146 164.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.9 mt -110.26 132.28 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.663 0 C-N-CA 128.845 2.858 . . . . 73.43 103.454 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.2 t -112.88 128.41 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 106.269 -1.752 . . . . 75.01 106.269 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.07 90.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.376 1.25 . . . . 75.33 114.376 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.456 1.502 . . . . 72.12 114.452 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.23 91.8 40.87 Favored Pre-proline 0 C--N 1.35 0.599 0 CA-C-O 118.054 -0.974 . . . . 75.52 109.728 -160.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.54 -13.46 40.0 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 122.898 2.399 . . . . 65.13 113.262 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.3 m -68.56 -43.66 76.14 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.272 1.029 . . . . 74.42 110.793 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.25 1.02 . . . . 73.33 110.896 173.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.3 m -56.39 -46.21 80.24 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.515 0.326 . . . . 75.32 111.428 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.8 tpp -65.7 -49.19 69.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.69 -1.256 . . . . 75.12 114.324 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -45.21 82.5 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.093 1.357 . . . . 71.34 112.19 -177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.022 0.929 . . . . 74.3 109.741 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.36 -46.75 85.12 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.27 -0.894 . . . . 74.21 112.506 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.84 99.89 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 125.051 1.34 . . . . 70.1 110.707 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.2 ptm -71.95 -30.35 65.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 119.141 -0.457 . . . . 64.34 110.794 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.7 t -68.75 -47.26 66.71 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.128 1.331 . . . . 73.02 113.566 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -55.81 -47.97 76.23 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 115.3 1.592 . . . . 73.42 115.3 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HA ' HG12 ' A' ' 123' ' ' ILE . 26.6 ttpp -61.73 -32.9 73.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.428 1.091 . . . . 75.14 111.496 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.66 98.29 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 122.339 1.066 . . . . 74.12 112.022 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.96 -45.84 73.08 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.475 1.51 . . . . 71.22 113.876 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 120' ' ' LYS . 16.7 pt -64.78 -23.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.169 -2.207 . . . . 74.23 114.564 173.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.96 -35.66 81.88 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 121.249 -0.907 . . . . 70.53 111.504 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -75.41 -25.17 57.33 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.34 -1.475 . . . . 72.43 112.541 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.91 154.07 42.69 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.446 2.299 . . . . 74.33 115.104 -171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 0.44 50.19 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.496 1.119 . . . . 63.43 111.688 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -131.31 153.78 49.22 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.297 -1.742 . . . . 73.42 106.297 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.29 118.5 37.6 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-O 118.473 -0.775 . . . . 74.12 111.219 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.92 148.16 63.44 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.412 2.075 . . . . 75.44 109.288 159.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.1 t -81.18 165.71 21.29 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.655 -0.869 . . . . 65.1 108.655 164.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.87 -32.87 73.26 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.784 -1.197 . . . . 74.22 111.394 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.653 0.781 . . . . 60.51 112.294 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.08 -44.76 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.578 1.951 . . . . 74.23 114.442 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.27 82.61 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 113.328 0.862 . . . . 75.25 113.328 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.33 -28.72 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.062 0 O-C-N 120.946 -1.096 . . . . 74.12 108.269 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.93 98.58 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 121.526 -0.734 . . . . 54.24 114.027 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -65.33 -35.32 80.63 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.829 1.315 . . . . 73.15 113.181 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.413 HD23 ' HD2' ' A' ' 94' ' ' LYS . 48.9 mt -64.0 -54.86 27.69 Favored 'General case' 0 CA--C 1.476 -1.897 0 C-N-CA 124.163 0.985 . . . . 73.12 111.822 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 56' ' ' ALA . 57.6 mt -67.19 -40.07 86.48 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.279 -0.873 . . . . 74.02 112.519 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.39 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.389 -1.444 . . . . 74.53 114.736 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.18 -25.34 42.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.788 -1.195 . . . . 71.23 111.865 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.4 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 24.3 m . . . . . 0 C--O 1.262 1.733 0 N-CA-C 115.613 1.709 . . . . 72.34 115.613 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.516 2.859 0 N-CA-C 117.269 2.322 . . . . 72.23 117.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -72.58 -34.7 67.61 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.717 -1.239 . . . . 74.34 112.988 -173.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.13 -1.24 52.39 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.372 1.082 . . . . 73.41 113.492 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.48 -45.64 77.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 114.43 -1.259 . . . . 75.22 110.296 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.4 mtp -67.58 -41.67 83.76 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.938 1.088 . . . . 75.22 113.938 -147.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -93.66 125.1 38.08 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.396 0.678 . . . . 75.44 110.208 -174.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.91 145.48 48.47 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.325 -0.86 . . . . 74.41 112.24 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -130.82 148.93 52.65 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.333 -0.988 . . . . 75.31 108.333 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.1 p -115.44 150.12 36.95 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 108.309 -0.997 . . . . 74.2 108.309 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.2 mt -111.06 117.11 54.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.311 -1.366 . . . . 75.13 107.311 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -66.1 -40.52 90.82 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.665 1.186 . . . . 74.15 113.442 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -82.81 7.34 15.42 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.437 1.095 . . . . 74.34 113.441 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.06 -18.54 61.31 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 125.585 1.554 . . . . 63.34 114.901 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.06 -46.03 96.29 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-O 116.259 -1.829 . . . . 73.0 114.316 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.41 -27.79 27.73 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 CA-C-N 125.354 2.948 . . . . 74.11 113.211 168.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -68.5 -43.96 75.74 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 74.23 112.268 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.12 -31.84 66.4 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 121.466 -0.771 . . . . 74.23 112.054 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.9 90.93 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 121.203 -0.936 . . . . 43.12 112.022 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.63 -0.82 14.02 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 125.142 1.377 . . . . 41.01 114.269 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -48.34 7.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 119.977 -1.702 . . . . 73.31 109.674 166.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -79.82 -36.87 36.24 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.952 -1.718 . . . . 72.35 114.544 -174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.24 -37.74 78.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 127.807 2.443 . . . . 74.2 110.368 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 -9.93 49.11 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.14 -1.391 . . . . 73.15 109.189 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 58.17 47.09 14.93 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.807 2.043 . . . . 73.33 113.304 -174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.63 158.52 45.09 Favored Pre-proline 0 C--N 1.347 0.496 0 C-N-CA 124.415 1.086 . . . . 75.23 109.553 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.78 166.27 30.14 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.616 2.211 . . . . 71.14 113.186 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -63.29 -29.99 71.21 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 128.013 2.525 . . . . 74.23 109.597 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.51 70.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 127.227 2.211 . . . . 71.23 113.265 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 m -97.38 -23.34 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 120.235 -1.541 . . . . 73.01 111.844 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.3 ptm -66.61 -33.3 75.36 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.334 -1.479 . . . . 74.2 112.082 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.41 -17.92 59.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.8 -1.188 . . . . 63.1 112.991 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.51 -37.4 78.23 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.162 -0.962 . . . . 72.41 112.958 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' HG12 ' A' ' 52' ' ' ILE . 24.7 t80 -59.56 -41.76 90.9 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.393 1.257 . . . . 75.12 114.393 169.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.26 -40.33 86.22 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 119.775 -1.828 . . . . 71.45 113.632 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -64.52 -23.19 67.19 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.806 2.043 . . . . 73.12 114.304 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -55.32 -40.29 70.97 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 127.081 2.152 . . . . 75.02 112.16 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -82.82 -8.95 59.54 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.808 0.843 . . . . 75.1 110.714 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -66.85 138.28 57.21 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.316 1.046 . . . . 73.34 112.112 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.08 135.97 41.18 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.139 -1.6 . . . . 73.35 110.994 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.92 -13.11 68.44 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-O 119.392 -0.671 . . . . 74.23 113.098 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -99.57 143.1 30.21 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 124.685 2.183 . . . . 74.35 116.498 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -122.92 133.79 54.38 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 111.62 -2.536 . . . . 72.12 105.412 164.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.5 mm -113.74 125.02 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 C-N-CA 128.311 2.644 . . . . 73.4 107.449 172.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -126.38 11.91 7.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 123.621 0.768 . . . . 74.12 110.915 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -87.88 131.32 34.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.786 1.235 . . . . 75.24 111.253 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.9 -32.79 71.07 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.508 1.923 . . . . 75.43 113.592 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.35 -30.48 71.21 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 115.943 1.831 . . . . 71.44 115.943 170.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.28 90.35 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.741 0.7 . . . . 75.44 111.493 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -38.98 96.55 Favored Glycine 0 CA--C 1.488 -1.641 0 O-C-N 120.397 -1.439 . . . . 74.31 113.262 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.24 -40.94 98.87 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.279 1.032 . . . . 64.44 111.189 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.16 -42.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.189 -0.944 . . . . 73.13 111.968 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.9 mt -60.08 -46.05 94.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 O-C-N 120.831 -1.168 . . . . 74.44 112.151 -173.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.88 -28.46 67.53 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.263 1.209 . . . . 72.22 114.263 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.91 -42.7 99.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.626 1.57 . . . . 73.41 112.094 175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -37.34 81.42 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 121.021 1.737 . . . . 75.02 113.809 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -55.6 -39.05 70.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 114.738 1.385 . . . . 75.2 114.738 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.95 -37.7 72.82 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.252 1.025 . . . . 73.33 112.927 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.8 mttm -98.04 33.58 2.11 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.84 1.656 . . . . 74.33 112.752 -168.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD21 HD12 ' A' ' 62' ' ' LEU . 95.5 mt -78.28 -29.49 47.95 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-O 123.377 1.561 . . . . 75.15 110.735 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.67 -14.72 54.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.037 1.335 . . . . 65.13 112.992 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -75.59 -27.31 58.48 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.162 1.785 . . . . 74.23 111.328 172.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 HD21 ' A' ' 59' ' ' LEU . 56.3 mt -68.42 159.97 30.56 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.865 2.466 . . . . 75.03 111.443 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -67.89 133.01 48.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.988 -1.07 . . . . 72.34 112.145 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -61.54 -26.64 68.07 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.59 -1.318 . . . . 65.15 113.828 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.71 -34.79 67.81 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.038 1.335 . . . . 73.23 113.464 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.25 -11.12 58.11 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.717 -1.239 . . . . 70.35 112.244 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 61.36 27.82 17.39 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.097 2.559 . . . . 74.01 116.534 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.61 121.55 26.48 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.976 -1.703 . . . . 75.22 111.113 178.392 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.0 151.26 45.33 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.495 -0.928 . . . . 75.13 108.495 166.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.82 129.43 39.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 122.498 1.142 . . . . 72.42 113.458 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.64 -8.59 76.72 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.344 1.45 . . . . 75.21 115.28 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.8 33.13 4.96 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.964 1.382 . . . . 65.44 110.579 -169.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.0 89.86 Favored 'General case' 0 CA--C 1.495 -1.172 0 O-C-N 120.902 -1.124 . . . . 63.01 113.877 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -60.37 -41.11 93.04 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.442 1.019 . . . . 74.11 113.077 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.72 -44.97 63.2 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 112.699 0.629 . . . . 74.33 112.699 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.69 -48.5 81.53 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.222 1.809 . . . . 74.34 113.306 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.38 97.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 120.991 -1.068 . . . . 72.5 113.094 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.12 -35.2 79.99 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 113.918 1.081 . . . . 72.11 113.918 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.05 -30.45 70.33 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.773 -1.204 . . . . 74.12 112.564 170.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -93.67 14.14 20.0 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.889 1.676 . . . . 75.35 114.64 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.36 -1.51 62.41 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.037 -1.04 . . . . 71.23 114.075 167.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 140.43 57.45 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.414 1.107 . . . . 72.53 111.37 164.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -81.53 170.12 16.28 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.419 -2.051 . . . . 75.44 108.125 169.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.68 -34.37 78.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.595 -1.316 . . . . 75.21 112.77 -173.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.65 83.95 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.457 1.903 . . . . 63.03 112.248 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -71.07 -36.03 72.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 121.213 -0.929 . . . . 63.23 112.458 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.828 0.823 . . . . 62.41 112.867 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.85 -27.61 64.98 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.831 -1.168 . . . . 74.2 112.631 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.62 -42.67 97.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.924 1.453 . . . . 74.35 114.924 169.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.57 -41.11 98.4 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.546 1.976 . . . . 70.34 112.654 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.28 -40.43 95.94 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.312 -0.867 . . . . 73.3 112.101 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.06 -42.36 97.04 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 120.377 -1.452 . . . . 71.54 112.588 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.33 -44.92 93.46 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 124.351 1.06 . . . . 74.14 110.333 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.3 -54.84 42.18 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 121.86 -0.525 . . . . 75.21 111.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -70.99 -25.98 62.94 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.642 -1.286 . . . . 75.12 111.938 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -65.74 -40.63 92.34 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.513 1.149 . . . . 72.54 112.906 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.443 ' HA ' HG23 ' A' ' 100' ' ' VAL . 21.2 m -68.65 -35.57 77.44 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 114.299 1.222 . . . . 74.52 114.299 173.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.36 -29.23 68.77 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.995 1.318 . . . . 74.42 113.095 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -86.61 -18.74 30.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.935 0.494 . . . . 75.23 112.133 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.443 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -101.5 -31.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 121.442 -0.786 . . . . 62.14 111.258 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -70.95 154.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.443 1.275 . . . . 71.34 114.443 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.2 m -66.93 126.66 29.81 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.929 -1.107 . . . . 74.5 112.254 165.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.5 mt -110.5 132.54 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.553 0 C-N-CA 129.149 2.98 . . . . 73.11 103.822 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 t -114.25 127.55 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 106.522 -1.658 . . . . 72.42 106.522 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.28 95.55 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.752 1.39 . . . . 75.23 114.752 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.42 -39.37 94.31 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.322 1.849 . . . . 74.35 112.718 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -131.36 96.61 21.18 Favored Pre-proline 0 C--N 1.349 0.544 0 CA-C-O 118.112 -0.947 . . . . 73.3 110.329 -160.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.08 -13.67 38.75 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 CA-C-N 123.135 2.155 . . . . 75.43 112.87 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -69.13 -44.67 71.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.703 1.201 . . . . 72.42 110.754 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.98 95.72 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.098 0.959 . . . . 73.33 111.368 172.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.6 m -56.44 -46.56 80.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 117.834 0.288 . . . . 74.34 111.576 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.98 -48.74 70.26 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.758 -1.214 . . . . 73.01 113.666 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.18 78.73 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.168 1.387 . . . . 75.44 112.87 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.46 -41.44 98.77 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.162 0.985 . . . . 74.02 109.298 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.02 -46.9 85.4 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 121.423 -0.798 . . . . 72.43 112.367 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.24 98.71 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.717 1.207 . . . . 53.12 110.946 -174.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.4 ptm -71.85 -29.02 63.95 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 119.093 -0.479 . . . . 71.04 111.151 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.8 -46.56 65.43 Favored 'General case' 0 C--N 1.37 1.472 0 CA-C-N 120.165 1.348 . . . . 74.34 113.684 166.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.037 1.495 . . . . 75.11 115.037 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HA ' HG12 ' A' ' 123' ' ' ILE . 57.9 tptt -63.41 -29.67 70.93 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 123.577 0.751 . . . . 70.24 112.338 176.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.02 99.74 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.479 1.133 . . . . 73.33 111.974 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.39 -45.99 71.2 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 114.645 1.35 . . . . 75.11 114.645 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.404 HG12 ' HA ' ' A' ' 120' ' ' LYS . 40.8 pt -67.87 -20.04 25.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 118.639 -2.538 . . . . 64.22 115.501 172.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.18 -40.44 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.147 0.979 . . . . 64.54 111.517 168.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 113.491 0.922 . . . . 74.0 113.491 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 mt -68.76 153.01 44.56 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.922 2.089 . . . . 63.05 115.504 -172.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.33 -0.31 54.35 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.979 1.312 . . . . 72.34 111.914 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -130.57 155.09 47.11 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 106.797 -1.557 . . . . 73.23 106.797 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.43 119.13 42.5 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-O 118.544 -0.741 . . . . 73.11 111.309 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -70.1 151.2 67.05 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.457 2.104 . . . . 71.34 109.028 155.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -88.71 168.92 12.1 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 106.832 -1.544 . . . . 63.25 106.832 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.63 -24.42 67.79 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.275 -1.516 . . . . 75.45 113.663 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.8 -41.35 97.63 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.508 -1.37 . . . . 75.03 112.125 172.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.05 -43.13 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 C-N-CA 126.349 1.86 . . . . 64.53 113.301 -171.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.86 80.38 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.602 1.092 . . . . 71.41 112.523 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.34 -32.5 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 O-C-N 121.503 -0.748 . . . . 73.44 109.307 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.72 99.75 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.161 -0.8 . . . . 72.54 113.88 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.29 -37.54 87.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.361 1.581 . . . . 72.31 113.797 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.58 -54.55 41.55 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 112.968 0.729 . . . . 74.15 112.968 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 69.6 mt -67.48 -38.68 84.77 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.233 -0.894 . . . . 61.31 112.457 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.15 96.3 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.844 -1.16 . . . . 75.42 113.75 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.79 -36.5 78.35 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.135 -0.978 . . . . 65.51 111.622 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.258 1.545 0 N-CA-C 114.959 1.466 . . . . 73.34 114.959 -176.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.515 2.797 0 N-CA-C 114.684 1.364 . . . . 74.01 114.684 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -64.51 -35.85 82.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.69 1.367 . . . . 75.53 114.69 -172.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.56 2.32 51.11 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 124.171 0.989 . . . . 64.04 113.559 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.5 -60.28 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 107.417 -1.327 . . . . 75.41 107.417 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.5 ptp 45.75 40.48 6.39 Favored 'General case' 0 N--CA 1.432 -1.335 1 C-N-CA 133.41 4.684 . . . . 73.2 115.541 -172.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -139.42 139.67 37.16 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 106.881 -1.526 . . . . 75.34 106.881 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -65.65 136.34 56.19 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.481 1.113 . . . . 75.41 112.181 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.5 mmm -128.87 148.58 50.91 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.207 -1.034 . . . . 64.51 108.207 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -144.73 171.87 13.8 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 106.127 -1.805 . . . . 74.11 106.127 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.56 134.69 29.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 124.564 1.146 . . . . 74.12 111.816 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -158.72 176.93 11.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 120.622 -1.299 . . . . 71.3 108.95 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -122.06 21.48 10.52 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.896 1.278 . . . . 63.54 110.462 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.57 42.33 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 115.716 1.747 . . . . 51.03 115.716 -168.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.18 -46.78 95.86 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.736 -1.602 . . . . 75.42 113.605 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.47 -29.22 31.33 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 CA-C-N 124.638 2.692 . . . . 74.52 113.935 168.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.1 ttt -70.1 -43.22 71.51 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.823 1.192 . . . . 72.34 112.164 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.49 -31.93 69.23 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 121.098 -1.001 . . . . 75.22 111.664 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.94 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.636 0.774 . . . . 61.33 112.983 170.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 95.4 m -60.26 -44.96 94.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.212 0.915 . . . . 71.43 110.32 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -43.01 93.73 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 119.777 -1.827 . . . . 74.14 111.904 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 114.762 1.393 . . . . 75.1 114.762 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.67 -39.6 88.99 Favored 'General case' 0 CA--C 1.487 -1.449 0 C-N-CA 126.759 2.023 . . . . 72.24 110.543 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 mt -83.74 -7.06 59.56 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.797 -1.092 . . . . 74.22 110.233 -177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.54 45.91 21.48 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.492 2.317 . . . . 71.03 113.479 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.73 158.28 44.04 Favored Pre-proline 0 C--N 1.35 0.618 0 C-N-CA 124.126 0.971 . . . . 73.04 109.375 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.37 166.69 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.503 2.135 . . . . 73.14 113.288 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.5 -30.68 71.45 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 128.421 2.689 . . . . 75.42 109.446 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.91 65.31 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 128.056 2.542 . . . . 64.3 113.485 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.2 m -101.65 -23.71 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.244 -1.382 . . . . 75.1 112.238 -172.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -66.83 -32.38 73.62 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.172 -1.58 . . . . 72.44 111.604 166.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.06 -21.89 61.45 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.38 -0.825 . . . . 74.32 112.915 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.08 -37.76 83.83 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.055 -1.028 . . . . 75.32 112.781 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.403 ' CD2' HG12 ' A' ' 52' ' ' ILE . 18.8 t80 -60.91 -44.09 97.65 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 114.28 1.215 . . . . 75.42 114.28 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.4 p90 -71.42 -34.41 70.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 119.604 -1.935 . . . . 74.2 116.018 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -63.15 -20.96 65.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.639 1.576 . . . . 64.12 114.729 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -57.74 -41.03 81.02 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.059 2.144 . . . . 74.22 111.678 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -80.78 -10.43 59.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.995 0.918 . . . . 73.33 111.963 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -64.97 132.9 50.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.733 0.813 . . . . 70.42 111.739 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.06 130.6 43.66 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.225 -1.547 . . . . 75.24 111.36 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.05 -3.8 82.75 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 121.574 -0.704 . . . . 63.41 114.416 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.07 136.22 36.81 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.418 1.609 . . . . 74.41 111.88 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -113.72 113.78 25.46 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.396 -0.965 . . . . 75.45 108.396 170.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -96.87 125.47 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.437 1.095 . . . . 73.13 108.337 170.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p -119.64 -4.25 10.29 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.802 1.241 . . . . 74.4 111.971 -174.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.84 133.78 34.31 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 124.003 0.921 . . . . 65.45 112.545 -163.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.01 -32.78 71.19 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.201 1.8 . . . . 75.53 113.464 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -62.96 -29.97 71.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 115.557 1.688 . . . . 73.24 115.557 170.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.08 89.48 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 118.704 0.684 . . . . 74.31 111.461 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.51 95.76 Favored Glycine 0 CA--C 1.49 -1.487 0 O-C-N 120.414 -1.429 . . . . 61.34 113.148 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.7 m -63.7 -41.5 98.11 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.13 0.972 . . . . 71.35 111.049 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.7 p -68.67 -42.04 82.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 121.21 -0.931 . . . . 72.25 111.553 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.5 mt -59.31 -45.34 93.3 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 120.396 -1.44 . . . . 72.14 112.7 -175.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.6 -28.92 68.16 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 114.073 1.138 . . . . 74.32 114.073 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.98 -43.39 98.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.335 1.454 . . . . 74.21 112.094 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.58 -38.05 86.13 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.104 1.775 . . . . 75.23 113.51 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -58.11 -36.01 72.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 115.855 1.798 . . . . 62.54 115.855 -174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.22 -42.59 72.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.864 0.84 . . . . 75.42 112.867 166.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.2 mttm -90.95 44.5 1.2 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.233 1.413 . . . . 71.43 113.383 -169.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD21 HD12 ' A' ' 62' ' ' LEU . 86.5 mt -90.43 -14.0 33.74 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.661 1.696 . . . . 74.14 109.31 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.39 -33.71 75.29 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.043 2.537 . . . . 70.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.59 -27.64 66.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.12 2.968 . . . . 74.1 111.809 -178.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 59' ' ' LEU . 71.2 mt -70.46 159.89 33.41 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.191 2.196 . . . . 74.23 111.45 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.5 141.42 41.27 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.727 -1.233 . . . . 74.34 109.497 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -60.74 -27.9 68.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.261 1.208 . . . . 75.02 114.261 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.48 -33.01 69.31 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.338 -1.476 . . . . 75.52 113.622 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.9 ptp -81.79 -12.25 58.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.814 -1.179 . . . . 74.31 112.819 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 62.29 26.42 15.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.086 2.555 . . . . 74.45 116.507 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -82.18 121.57 26.78 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 119.962 -1.712 . . . . 72.45 110.655 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.29 148.49 41.49 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.789 -1.56 . . . . 71.51 106.789 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.491 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.9 t60 -66.62 130.18 42.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.121 0.968 . . . . 70.4 110.865 -174.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -11.2 71.95 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 124.129 0.871 . . . . 60.13 114.898 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -103.0 24.51 10.65 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 118.708 1.254 . . . . 70.54 111.062 -171.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.76 81.73 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 114.657 1.354 . . . . 74.44 114.657 -173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 63.9 mtt -60.8 -39.58 89.44 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 119.201 0.909 . . . . 74.44 112.486 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -74.51 -44.52 50.96 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 113.303 0.853 . . . . 71.11 113.303 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.06 -47.29 86.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 126.808 2.043 . . . . 73.2 113.232 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.76 92.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 121.164 -0.96 . . . . 74.33 112.778 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.71 -34.31 77.59 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.804 1.242 . . . . 74.12 114.199 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.61 -32.62 71.75 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.927 -1.108 . . . . 72.41 112.019 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -93.98 14.15 20.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.902 1.681 . . . . 74.35 114.764 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.96 0.78 63.58 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 121.093 -1.004 . . . . 64.34 114.227 167.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.62 140.37 56.87 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.484 1.142 . . . . 64.1 110.841 162.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -82.79 172.21 13.11 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 119.537 -1.977 . . . . 73.3 108.279 169.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.99 -32.61 74.42 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.283 -1.511 . . . . 74.3 112.929 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.46 77.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.902 1.681 . . . . 75.1 112.118 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.68 -41.02 96.36 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.264 1.826 . . . . 64.31 113.436 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.76 84.83 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.015 0.746 . . . . 63.55 113.015 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -29.11 66.23 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.721 -1.237 . . . . 74.44 112.348 174.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -60.68 -42.7 97.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.391 1.626 . . . . 73.21 115.391 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.42 -40.95 98.56 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 121.886 2.13 . . . . 74.31 112.591 175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.51 -40.32 95.42 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.424 -0.797 . . . . 74.04 111.695 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.269 -1.519 . . . . 72.13 112.549 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.71 -45.44 94.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 124.403 1.081 . . . . 74.4 110.263 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -59.22 -53.47 57.96 Favored 'General case' 0 CA--C 1.49 -1.328 0 O-C-N 121.844 -0.535 . . . . 74.44 111.723 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -70.58 -29.58 66.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 121.173 -0.955 . . . . 64.15 109.912 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 t -66.11 -41.12 91.01 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.602 1.192 . . . . 61.34 112.801 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.3 m -67.88 -35.21 78.12 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.106 1.15 . . . . 61.04 114.106 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.24 -28.79 68.31 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.151 1.381 . . . . 63.12 113.009 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -87.59 -19.04 28.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.215 0.45 . . . . 75.13 112.215 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -100.98 -31.29 3.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 O-C-N 121.389 -0.819 . . . . 61.45 111.248 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -70.66 154.36 8.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 N-CA-C 114.613 1.338 . . . . 74.32 114.613 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.6 m -66.55 126.93 30.46 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.072 -1.018 . . . . 72.21 112.26 165.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.1 mt -111.66 132.57 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 129.089 2.956 . . . . 74.14 103.446 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -113.26 128.18 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.633 0 N-CA-C 105.946 -1.872 . . . . 75.05 105.946 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.443 1.275 . . . . 71.13 114.443 171.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -64.84 -38.2 90.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.414 1.486 . . . . 73.11 114.532 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -128.2 96.45 31.18 Favored Pre-proline 0 N--CA 1.447 -0.587 0 CA-C-O 117.769 -1.11 . . . . 75.21 109.04 -162.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.64 -13.59 37.54 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 CA-C-N 123.859 2.414 . . . . 74.12 112.785 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.05 -44.42 69.21 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 125.083 1.353 . . . . 64.21 110.863 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -44.96 96.1 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.302 1.041 . . . . 72.33 111.255 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 m -56.12 -46.65 79.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 117.963 0.347 . . . . 74.24 111.584 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.7 tpt -66.7 -47.94 70.82 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.751 -1.218 . . . . 71.1 113.572 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.53 79.33 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.738 1.615 . . . . 72.53 112.591 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.42 -41.76 98.93 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.027 0.931 . . . . 74.0 109.699 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.83 -46.48 87.72 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 121.513 -0.742 . . . . 74.51 112.385 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.02 99.7 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 124.931 1.292 . . . . 64.35 110.95 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.09 -29.1 62.69 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 119.075 -0.488 . . . . 73.32 110.812 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.8 t -69.35 -46.28 67.38 Favored 'General case' 0 C--N 1.37 1.462 0 CA-C-N 120.075 1.307 . . . . 73.24 113.363 166.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -54.96 -47.81 74.02 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.057 1.503 . . . . 74.43 115.057 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.06 -32.33 73.67 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.905 0.859 . . . . 60.11 110.997 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.63 99.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 122.679 1.228 . . . . 73.34 111.814 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.18 -46.03 71.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 114.723 1.379 . . . . 74.44 114.723 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 38.8 pt -67.45 -19.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 118.626 -2.546 . . . . 73.4 115.511 173.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.86 -40.69 96.23 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.303 1.041 . . . . 75.55 111.728 167.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -71.82 -27.8 63.16 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.862 0.865 . . . . 65.42 113.308 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.81 153.54 43.19 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.244 2.218 . . . . 73.43 115.332 -171.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.77 0.35 53.14 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.636 1.174 . . . . 73.54 111.615 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -131.03 155.24 47.2 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.421 -1.696 . . . . 75.4 106.421 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.46 120.3 36.56 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 118.305 -0.855 . . . . 74.53 110.651 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.9 150.79 67.85 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.384 2.056 . . . . 73.43 109.094 157.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -87.56 166.44 14.73 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 106.392 -1.707 . . . . 74.22 106.392 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.23 -21.1 66.7 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.0 -1.688 . . . . 71.32 114.373 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.5 -40.75 95.71 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.457 -1.402 . . . . 75.11 112.116 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.02 -43.91 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 126.529 1.932 . . . . 74.32 113.066 -173.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.49 83.13 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 119.265 0.938 . . . . 74.35 112.304 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 m -77.34 -33.33 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 O-C-N 121.433 -0.792 . . . . 75.51 109.259 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.93 99.49 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 121.615 -0.678 . . . . 72.21 113.731 -172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.28 -38.08 89.77 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.777 1.289 . . . . 74.23 113.834 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.55 -50.78 68.17 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.851 1.26 . . . . 74.21 112.717 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 56' ' ' ALA . 19.2 mt -68.28 -41.75 80.56 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.123 -1.398 . . . . 72.22 111.287 -176.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.54 81.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.657 -1.277 . . . . 75.3 113.922 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.25 19.34 8.24 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.831 -1.168 . . . . 74.22 112.74 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.491 HG21 ' CE1' ' A' ' 70' ' ' HIS . 7.4 t . . . . . 0 C--O 1.266 1.944 0 O-C-N 119.18 -2.2 . . . . 73.34 113.613 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.518 2.925 0 N-CA-C 115.383 1.623 . . . . 71.31 115.383 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.52 -33.05 74.73 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 115.697 1.74 . . . . 72.53 115.697 -169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -105.23 16.79 25.12 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.518 0.727 . . . . 73.4 111.734 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.72 -59.4 3.34 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 108.599 -0.889 . . . . 71.33 108.599 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 mtt -66.45 -42.29 87.85 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 113.317 0.858 . . . . 74.53 113.317 -154.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -132.77 137.99 47.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.718 -2.697 . . . . 75.33 103.718 169.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -63.72 -42.36 97.93 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 114.381 1.252 . . . . 73.12 114.381 -171.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.1 mtp -110.27 122.51 47.84 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.915 -1.142 . . . . 71.45 107.915 167.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -75.86 -39.5 56.46 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 121.717 -0.615 . . . . 72.34 112.306 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -131.96 150.73 34.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.169 0.988 . . . . 74.42 109.261 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -162.93 175.59 11.03 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 104.848 -2.279 . . . . 73.24 104.848 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.62 -40.4 87.44 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.609 2.364 . . . . 74.44 111.801 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.28 69.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 116.896 2.184 . . . . 61.11 116.896 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -61.63 -46.55 93.66 Favored Pre-proline 0 C--N 1.356 0.852 0 CA-C-O 116.501 -1.714 . . . . 74.3 114.257 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.52 -27.9 32.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 124.953 2.805 . . . . 75.35 113.324 167.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.5 ttt -69.98 -43.87 70.58 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.691 1.132 . . . . 74.13 111.558 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.38 -31.21 65.37 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.492 1.117 . . . . 73.15 112.09 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.99 98.63 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.306 1.043 . . . . 75.4 112.802 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.2 m -60.35 -44.4 95.59 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.302 -0.874 . . . . 75.33 110.308 175.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 119.735 -1.853 . . . . 75.31 112.196 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -77.29 -40.87 42.96 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 114.826 1.417 . . . . 72.44 114.826 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.9 -39.27 88.66 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 125.182 1.393 . . . . 75.02 111.273 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.9 mt -83.57 -9.29 59.02 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.96 -1.018 . . . . 75.23 110.436 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.53 48.37 12.07 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.529 2.332 . . . . 74.03 113.003 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -119.3 158.35 48.89 Favored Pre-proline 0 C--N 1.347 0.475 0 C-N-CA 124.665 1.186 . . . . 74.52 109.231 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.94 166.61 29.23 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.614 2.21 . . . . 71.34 113.465 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -62.71 -29.82 70.95 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 128.172 2.589 . . . . 65.04 109.712 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.96 65.14 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.948 2.499 . . . . 71.13 113.43 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 m -102.48 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 C-N-CA 118.449 -1.3 . . . . 73.03 112.054 -173.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.8 ptm -66.08 -31.84 72.94 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 120.28 -1.512 . . . . 74.22 111.506 166.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.7 pp0? -73.39 -21.83 60.41 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 121.544 -0.723 . . . . 74.0 112.939 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -61.07 -38.03 84.76 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 121.143 -0.973 . . . . 74.24 112.652 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -60.78 -43.75 97.69 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 114.348 1.24 . . . . 73.24 114.348 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 43.8 p90 -72.04 -34.47 68.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 119.579 -1.951 . . . . 73.15 116.244 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -63.4 -20.95 65.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.871 1.668 . . . . 74.41 114.75 170.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.6 -42.0 82.36 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 127.306 2.242 . . . . 75.42 111.541 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.27 -14.03 59.6 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.079 0.952 . . . . 63.42 111.992 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.49 132.6 50.4 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.095 0.958 . . . . 63.31 112.215 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -65.64 129.71 40.71 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.225 -1.547 . . . . 75.52 111.137 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.95 82.35 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 121.356 -0.84 . . . . 73.13 114.4 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -95.72 136.67 35.83 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.354 1.577 . . . . 74.03 111.93 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -115.86 114.75 25.14 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.326 -0.99 . . . . 72.34 108.326 170.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.1 mm -96.89 126.19 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 124.749 1.22 . . . . 72.3 108.757 170.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -121.59 1.73 10.08 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.348 1.059 . . . . 72.43 111.506 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.69 132.72 34.46 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.189 -0.944 . . . . 72.45 112.232 -164.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.12 -32.79 71.34 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.037 1.735 . . . . 75.2 113.63 -173.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.02 -29.79 71.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 115.811 1.782 . . . . 74.34 115.811 170.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.38 87.64 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.658 0.663 . . . . 75.21 111.497 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.42 95.65 Favored Glycine 0 CA--C 1.491 -1.468 0 O-C-N 120.378 -1.451 . . . . 73.42 113.109 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.1 m -63.84 -42.06 97.69 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.295 1.038 . . . . 75.33 110.915 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 O-C-N 121.224 -0.923 . . . . 75.12 111.796 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.7 -45.92 93.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 O-C-N 120.29 -1.506 . . . . 74.44 112.992 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.15 -29.08 68.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.319 1.229 . . . . 70.45 114.319 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.3 t -64.48 -41.17 96.64 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.874 1.67 . . . . 74.45 112.715 173.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -40.03 90.99 Favored 'General case' 0 C--N 1.365 1.264 0 CA-C-N 122.348 2.34 . . . . 75.21 112.989 172.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.7 -36.46 69.68 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 125.581 1.552 . . . . 62.44 114.466 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.23 -20.32 48.55 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.58 -0.7 . . . . 74.41 112.635 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 96.5 mttt -109.46 32.01 5.33 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.174 1.79 . . . . 71.25 112.931 -171.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 HD12 ' A' ' 62' ' ' LEU . 96.4 mt -77.36 -26.62 52.15 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 119.87 -1.769 . . . . 73.12 111.068 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -64.1 -16.53 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.095 1.358 . . . . 74.35 112.734 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -76.18 -26.68 56.43 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.641 1.576 . . . . 74.11 110.752 174.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.504 HD12 HD21 ' A' ' 59' ' ' LEU . 57.7 mt -69.3 160.02 32.02 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.239 2.215 . . . . 72.34 110.336 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.49 138.5 47.06 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.546 -1.346 . . . . 70.32 109.85 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -60.59 -27.32 67.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.274 1.213 . . . . 74.11 114.274 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.41 -33.62 69.85 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.436 -1.415 . . . . 74.23 113.434 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.4 ptm -79.42 -16.84 55.51 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.861 -1.149 . . . . 75.34 112.413 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 62.95 31.49 16.15 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.813 2.845 . . . . 71.21 117.127 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD13 HD21 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.93 122.51 27.34 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.898 -1.751 . . . . 73.25 111.026 175.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -141.49 156.84 45.71 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 72.32 107.222 167.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -69.03 134.57 49.61 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.771 1.272 . . . . 65.3 112.337 -174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.49 63.73 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.078 -0.965 . . . . 64.43 114.753 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.36 18.52 15.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 125.873 1.669 . . . . 65.33 112.25 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.05 79.88 Favored 'General case' 0 CA--C 1.495 -1.17 0 C-N-CA 125.191 1.397 . . . . 75.44 113.802 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.08 -38.82 87.6 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.487 1.039 . . . . 75.45 112.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.27 -44.74 35.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 113.354 0.872 . . . . 73.32 113.354 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.13 -44.87 96.67 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.479 2.312 . . . . 74.43 113.594 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.98 79.84 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.89 -1.132 . . . . 73.14 113.103 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.38 -35.88 81.86 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 114.39 1.256 . . . . 74.32 114.39 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -61.08 -28.26 68.95 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.868 -1.145 . . . . 73.52 112.344 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.85 14.96 21.64 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.883 1.673 . . . . 75.54 114.536 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.72 62.35 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 121.122 -0.986 . . . . 51.33 113.855 166.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 143.33 56.86 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.307 1.054 . . . . 74.33 111.843 165.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -81.2 171.21 15.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.711 -1.868 . . . . 70.25 108.366 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.4 -33.87 76.86 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.647 -1.283 . . . . 73.34 112.749 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 126.091 1.756 . . . . 71.32 112.586 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 mmt -71.72 -35.97 70.35 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.247 1.019 . . . . 61.32 111.941 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.0 88.36 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.319 1.448 . . . . 75.31 113.001 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -24.53 50.42 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.534 0.733 . . . . 64.22 112.116 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -60.81 -42.06 96.92 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.659 1.355 . . . . 73.43 114.659 171.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.79 -41.94 99.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.038 1.745 . . . . 73.41 112.242 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.08 -40.53 96.45 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.803 -1.186 . . . . 73.41 112.112 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.72 -42.63 97.9 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.486 -1.384 . . . . 75.12 112.645 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.38 -45.41 93.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.08 0 C-N-CA 124.557 1.143 . . . . 73.53 110.387 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -58.31 -56.21 25.07 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 122.851 0.46 . . . . 74.03 111.752 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -66.03 -32.99 74.78 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 123.732 0.813 . . . . 74.43 109.734 -173.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.71 -41.72 91.98 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.915 1.34 . . . . 63.01 112.983 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.45 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.1 m -67.53 -34.6 77.43 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 114.532 1.308 . . . . 71.1 114.532 173.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.65 -32.48 70.49 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.238 1.415 . . . . 74.32 111.128 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -85.3 -19.44 31.52 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.817 0.447 . . . . 74.22 111.935 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.3 m -100.35 -29.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 121.385 -0.822 . . . . 73.42 111.354 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -71.27 155.07 7.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 114.971 1.471 . . . . 71.04 114.971 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 90.6 m -66.66 126.8 30.09 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.071 -1.018 . . . . 73.13 112.365 164.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.8 mt -112.23 132.42 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.619 0 C-N-CA 129.045 2.938 . . . . 74.1 103.822 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.74 128.15 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 N-CA-C 105.866 -1.902 . . . . 73.23 105.866 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.93 93.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.854 1.428 . . . . 74.32 114.854 170.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.25 -39.83 94.75 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.98 1.712 . . . . 60.44 113.402 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -127.66 92.37 43.0 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 118.256 -0.878 . . . . 72.31 108.759 -161.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -69.01 -14.06 37.74 Favored 'Trans proline' 0 C--N 1.331 -0.371 0 C-N-CA 122.652 2.235 . . . . 73.44 112.535 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.82 -43.33 72.26 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.917 1.287 . . . . 73.4 110.457 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -45.22 94.75 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.183 -0.948 . . . . 75.25 110.974 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -56.1 -46.12 79.19 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 111.71 0.263 . . . . 75.01 111.71 175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.1 tpt -66.29 -48.23 71.08 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.809 -1.182 . . . . 72.34 113.707 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -44.75 79.7 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.807 1.643 . . . . 73.23 112.581 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.48 -41.92 99.13 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.071 0.949 . . . . 74.13 109.467 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.0 -46.8 85.93 Favored 'General case' 0 CA--C 1.494 -1.179 0 O-C-N 121.773 -0.579 . . . . 75.24 112.173 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.96 99.16 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.663 1.185 . . . . 64.22 110.978 -174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -72.65 -28.64 62.85 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.16 -0.448 . . . . 74.1 110.87 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.8 t -69.9 -46.34 65.65 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-N 119.954 1.252 . . . . 55.32 113.383 166.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -55.05 -47.93 74.13 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 114.975 1.472 . . . . 74.31 114.975 173.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.436 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.6 ttpp -62.64 -31.76 72.69 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 124.11 0.964 . . . . 71.32 111.377 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.84 99.69 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 122.541 1.162 . . . . 75.21 112.338 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -67.6 -46.61 72.09 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.939 1.296 . . . . 75.42 114.22 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.436 HG12 ' HA ' ' A' ' 120' ' ' LYS . 17.2 pt -66.75 -22.57 29.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 119.11 -2.244 . . . . 72.45 114.258 175.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.3 -41.46 98.53 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.854 1.262 . . . . 64.43 111.891 168.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -75.49 -25.25 57.16 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.38 0.882 . . . . 74.42 113.38 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -67.04 152.83 45.05 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 127.256 2.222 . . . . 72.34 115.319 -175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.87 0.35 53.29 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.859 1.264 . . . . 64.34 111.93 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.9 p-90 -129.46 154.46 46.96 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 106.663 -1.606 . . . . 73.12 106.663 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.84 42.55 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-O 118.618 -0.706 . . . . 51.41 111.396 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.36 147.44 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.381 2.054 . . . . 74.41 109.756 157.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.42 168.71 18.04 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 121.613 0.72 . . . . 72.22 109.277 165.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.71 -32.38 72.58 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.658 -1.276 . . . . 73.25 111.632 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.178 0.991 . . . . 70.41 111.989 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.15 -45.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 127.054 2.142 . . . . 75.22 111.569 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.5 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.468 -1.395 . . . . 74.12 114.053 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.84 -29.74 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.217 0 O-C-N 120.597 -1.315 . . . . 72.12 108.184 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.35 98.3 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.141 -0.811 . . . . 71.35 114.087 -174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -35.47 79.24 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.517 1.658 . . . . 72.05 112.845 177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.11 -51.17 69.0 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 113.312 0.856 . . . . 73.44 113.312 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 56' ' ' ALA . 28.9 mt -68.43 -40.38 81.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.741 -1.118 . . . . 70.43 111.948 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.38 89.32 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.244 -1.535 . . . . 74.33 113.348 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -95.03 27.16 3.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.588 -0.695 . . . . 54.3 111.74 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.261 1.69 0 O-C-N 119.694 -1.879 . . . . 71.32 114.511 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.52 3.028 0 N-CA-C 115.678 1.733 . . . . 71.31 115.678 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -86.77 118.64 26.3 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.776 -1.202 . . . . 71.34 109.923 -168.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 58.63 20.37 7.63 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 130.28 3.432 . . . . 70.32 114.782 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.05 -46.21 26.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 C-N-CA 125.178 1.391 . . . . 64.33 110.096 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.5 mtp -67.84 -40.93 83.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 113.994 -1.457 . . . . 74.23 113.288 -150.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -118.81 165.15 14.38 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.41 1.084 . . . . 73.51 111.253 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.49 128.21 56.21 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.99 -1.115 . . . . 73.05 107.99 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptp -154.97 156.0 35.23 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.784 -1.191 . . . . 73.45 107.784 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -130.92 5.38 4.56 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.949 -0.469 . . . . 74.13 110.624 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -112.43 123.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 108.176 -1.046 . . . . 75.44 108.176 -170.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -62.82 -34.4 77.23 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.639 1.576 . . . . 63.45 112.798 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -75.28 -3.96 36.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 125.03 1.332 . . . . 72.33 113.654 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.16 90.77 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.998 2.221 . . . . 71.05 116.998 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -48.0 90.17 Favored Pre-proline 0 C--N 1.36 1.04 0 CA-C-N 120.316 1.416 . . . . 73.35 112.905 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.55 -28.99 25.58 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 CA-C-N 124.116 2.506 . . . . 73.11 114.746 167.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 93.1 mtp -65.4 -43.36 90.87 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.9 2.136 . . . . 75.02 114.589 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.37 -31.88 69.32 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.846 -1.159 . . . . 73.05 111.336 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.47 89.2 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 113.877 1.065 . . . . 74.41 113.877 168.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.6 m -60.08 -43.81 95.22 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.437 1.017 . . . . 73.32 110.181 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.28 -43.08 92.55 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 119.488 -2.008 . . . . 72.42 112.691 -175.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -77.45 -39.27 47.29 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.693 1.368 . . . . 74.44 114.693 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.19 -40.01 84.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 126.672 1.989 . . . . 74.43 110.496 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.9 mt -87.07 -10.19 53.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.325 -0.852 . . . . 72.24 110.214 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.07 48.02 13.73 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.449 1.9 . . . . 72.51 113.142 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.07 158.09 47.05 Favored Pre-proline 0 C--N 1.347 0.489 0 C-N-CA 124.952 1.301 . . . . 74.41 108.316 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.51 165.96 31.08 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.477 2.118 . . . . 71.34 113.394 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.2 -30.56 71.17 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 128.256 2.622 . . . . 75.41 109.457 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.78 68.43 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.601 2.36 . . . . 73.14 113.738 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 m -99.91 -24.65 4.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.381 -1.449 . . . . 75.11 112.039 -173.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.7 ptm -65.21 -32.28 73.87 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.435 -1.416 . . . . 64.32 111.54 167.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -75.17 -22.52 58.01 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.581 -0.7 . . . . 74.33 112.391 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.03 -37.54 82.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.07 -1.019 . . . . 75.3 113.004 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CD2' HG12 ' A' ' 52' ' ' ILE . 16.5 t80 -60.41 -46.15 91.05 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 113.996 1.109 . . . . 74.11 113.996 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 40.2 p90 -71.75 -32.77 68.05 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 115.618 1.71 . . . . 72.31 115.618 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.19 -12.45 40.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 115.526 1.676 . . . . 70.22 115.526 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -59.3 -42.0 90.31 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.01 1.324 . . . . 73.51 109.941 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -68.67 -23.63 64.42 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 125.574 1.55 . . . . 74.14 112.869 -173.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -62.15 130.73 46.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.94 1.296 . . . . 75.15 112.157 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.74 136.39 54.18 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.92 -1.738 . . . . 70.42 112.545 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.15 -6.4 83.58 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 121.444 -0.785 . . . . 53.23 113.435 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.17 132.35 41.68 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.169 1.485 . . . . 71.02 111.419 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.47 116.24 28.53 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.676 -1.231 . . . . 72.34 107.676 169.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.34 122.28 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 124.101 0.96 . . . . 72.54 109.218 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p -122.87 -3.4 8.66 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.714 1.206 . . . . 60.22 112.108 -173.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -83.61 134.42 34.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.022 0.929 . . . . 73.41 112.093 -165.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.62 -33.03 70.98 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.184 1.793 . . . . 73.21 113.671 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.754 1.761 . . . . 72.14 115.754 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.47 89.15 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.689 0.677 . . . . 74.43 111.471 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.25 95.54 Favored Glycine 0 CA--C 1.489 -1.557 0 O-C-N 120.283 -1.511 . . . . 74.4 113.1 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.2 m -63.92 -41.74 97.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.316 1.046 . . . . 73.4 110.856 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -68.1 -42.06 84.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 121.087 -1.008 . . . . 63.12 111.919 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 33' ' ' PHE . 52.2 mt -59.95 -45.47 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 120.354 -1.466 . . . . 71.24 112.911 -174.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.35 -28.34 67.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 114.688 1.366 . . . . 75.44 114.688 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.83 -42.56 99.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.849 1.66 . . . . 72.15 112.295 173.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.05 -38.58 83.22 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-N 121.061 1.755 . . . . 61.23 113.662 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -57.81 -35.05 70.33 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 126.007 1.723 . . . . 73.13 115.394 -174.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.34 -11.17 55.24 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.178 0.807 . . . . 72.41 113.178 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.5 mttm -118.19 37.92 3.86 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.285 1.434 . . . . 74.54 111.948 -173.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD21 HD12 ' A' ' 62' ' ' LEU . 91.4 mt -82.01 -27.06 33.3 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 123.893 1.806 . . . . 74.3 110.66 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.34 -15.37 57.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 126.2 1.8 . . . . 71.24 112.803 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.5 mt -75.99 -27.51 57.46 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.196 1.798 . . . . 73.22 111.446 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 HD21 ' A' ' 59' ' ' LEU . 57.5 mt -69.57 160.56 31.3 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.657 2.383 . . . . 72.45 111.076 -173.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.9 126.05 28.56 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.041 -1.037 . . . . 74.44 111.056 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.31 -25.88 67.42 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.378 1.471 . . . . 74.42 113.583 -171.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.82 -32.26 63.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.977 2.111 . . . . 75.41 113.966 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 ptp -81.98 -8.41 59.67 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.043 1.292 . . . . 73.1 112.335 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 m120 62.49 27.9 16.5 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 128.303 2.641 . . . . 64.44 116.191 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.18 121.26 25.91 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 120.138 -1.602 . . . . 71.23 110.673 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -136.35 161.01 36.99 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 105.097 -2.186 . . . . 63.32 105.097 168.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -68.26 145.39 54.29 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.002 -1.11 . . . . 74.35 108.002 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 -48.3 4.03 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 120.446 -1.409 . . . . 71.35 115.005 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.59 50.33 1.98 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.594 1.557 . . . . 75.53 109.35 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.69 95.92 Favored 'General case' 0 CA--C 1.485 -1.549 0 C-N-CA 126.112 1.765 . . . . 72.53 111.462 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -61.15 -41.47 96.79 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.013 0.435 . . . . 72.23 112.004 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.32 -45.31 66.48 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 113.48 0.919 . . . . 72.33 113.48 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.67 -48.19 82.91 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.475 1.91 . . . . 71.22 112.98 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.15 94.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.241 1.016 . . . . 74.3 112.94 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.15 -36.26 83.02 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.134 1.161 . . . . 72.41 114.134 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.57 -27.5 68.67 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 120.655 -1.278 . . . . 74.43 112.309 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.11 13.53 24.98 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.875 1.67 . . . . 70.34 114.707 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.83 0.02 62.49 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 121.0 -1.062 . . . . 71.03 114.271 167.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 141.38 57.71 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.445 1.123 . . . . 74.52 111.193 163.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -81.51 169.98 16.46 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.467 -2.021 . . . . 74.13 108.115 169.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.61 -34.9 79.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.601 -1.312 . . . . 71.2 112.74 -173.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.627 1.971 . . . . 74.4 112.374 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -72.21 -36.13 69.08 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.175 0.99 . . . . 74.43 112.403 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.853 0.861 . . . . 71.45 113.311 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.85 -28.46 66.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.737 -1.227 . . . . 75.32 112.423 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.75 -42.0 96.54 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.964 1.468 . . . . 73.2 114.964 170.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.09 -41.97 99.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.72 2.054 . . . . 74.33 112.387 175.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.87 -39.99 95.51 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.711 -1.243 . . . . 72.41 112.007 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.73 -42.93 97.83 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.527 -1.358 . . . . 52.44 112.706 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.87 -45.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.072 0 C-N-CA 124.423 1.089 . . . . 73.41 110.329 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -59.09 -53.8 54.29 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.795 -0.566 . . . . 75.33 111.672 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.1 -29.14 64.91 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.2 -0.938 . . . . 70.34 110.013 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -43.71 86.69 Favored 'General case' 0 C--N 1.361 1.091 0 CA-C-O 122.615 1.198 . . . . 74.04 111.814 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.451 ' HA ' HG23 ' A' ' 100' ' ' VAL . 10.3 m -65.56 -32.1 73.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 114.222 1.193 . . . . 73.43 114.222 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.08 -25.68 67.12 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.067 1.347 . . . . 75.42 112.394 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -75.82 -40.35 55.08 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.075 1.75 . . . . 75.01 109.895 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 97' ' ' CYS . 24.8 m -95.48 -29.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 C-N-CA 123.387 0.675 . . . . 74.2 111.398 -164.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.03 155.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.629 1.204 . . . . 73.52 113.96 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.4 m -66.67 122.78 18.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.926 -1.109 . . . . 72.04 111.673 164.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.1 mt -104.58 131.79 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.592 0 C-N-CA 128.558 2.743 . . . . 72.42 103.602 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -113.24 128.11 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 106.123 -1.806 . . . . 75.41 106.123 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.65 91.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.438 1.273 . . . . 73.12 114.438 171.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.88 -39.89 95.24 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.009 1.724 . . . . 52.23 113.563 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -129.89 96.13 26.91 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.827 -1.082 . . . . 64.21 109.077 -160.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.47 -13.69 38.07 Favored 'Trans proline' 0 C--N 1.329 -0.499 0 CA-C-N 123.768 2.381 . . . . 64.24 112.779 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.41 -44.57 71.13 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.144 1.378 . . . . 73.54 110.919 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -45.44 94.22 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.352 1.061 . . . . 74.43 111.667 172.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -56.29 -46.37 79.8 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.196 0.453 . . . . 71.43 111.429 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 tpt -66.52 -48.98 68.05 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.662 -1.274 . . . . 74.3 114.0 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -45.05 80.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.08 1.352 . . . . 75.53 112.588 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.45 -41.34 98.67 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.068 0.947 . . . . 73.54 109.6 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.85 -46.79 86.25 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 121.321 -0.862 . . . . 74.51 112.595 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.26 97.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 123.949 0.9 . . . . 65.34 110.87 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.0 ptm -69.85 -29.71 67.02 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 118.852 -0.594 . . . . 75.53 112.071 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.61 -46.97 67.9 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 120.521 1.509 . . . . 74.44 113.754 166.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -55.92 -48.58 75.43 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 115.239 1.57 . . . . 63.12 115.239 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HA ' HG12 ' A' ' 123' ' ' ILE . 42.8 mmtm -67.42 -22.85 65.5 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.375 -0.828 . . . . 64.43 111.988 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.52 91.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.347 1.07 . . . . 63.32 112.575 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -67.37 -45.37 76.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.894 1.278 . . . . 64.11 114.253 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 120' ' ' LYS . 16.3 pt -66.53 -22.14 29.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 119.529 -1.982 . . . . 73.12 114.451 174.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.477 1.111 . . . . 72.14 111.828 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -71.05 -27.49 63.69 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.263 1.025 . . . . 75.52 113.239 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.1 mt -68.57 153.28 44.06 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.287 2.235 . . . . 75.13 115.111 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.13 0.9 52.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.591 1.156 . . . . 72.34 111.775 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -130.11 155.33 46.37 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.096 -1.446 . . . . 75.33 107.096 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.15 118.94 41.48 Favored Pre-proline 0 N--CA 1.444 -0.771 0 CA-C-O 118.602 -0.713 . . . . 63.32 111.499 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.36 154.01 65.7 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.504 2.136 . . . . 74.01 108.951 155.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -85.46 169.03 14.03 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 106.429 -1.693 . . . . 72.13 106.429 173.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.51 -33.25 73.5 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.265 -1.522 . . . . 74.32 112.285 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.59 -41.46 94.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 123.767 0.827 . . . . 64.01 112.256 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -44.72 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 C-N-CA 126.467 1.907 . . . . 75.21 112.982 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.48 86.68 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.362 0.875 . . . . 62.22 113.362 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.37 -29.14 14.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 120.59 -1.318 . . . . 75.13 107.681 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.35 -41.48 98.13 Favored Glycine 0 C--N 1.357 1.731 0 O-C-N 121.329 -0.857 . . . . 75.41 114.238 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.19 -37.47 87.6 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.844 1.322 . . . . 61.31 113.03 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.95 -51.92 62.13 Favored 'General case' 0 CA--C 1.477 -1.843 0 C-N-CA 124.892 1.277 . . . . 75.13 113.056 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 56' ' ' ALA . 51.9 mt -69.17 -39.02 79.0 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.817 -1.083 . . . . 75.33 112.063 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.39 98.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 119.963 -1.711 . . . . 53.33 113.319 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -91.91 34.58 1.0 Allowed 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.802 -1.186 . . . . 71.13 111.853 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.262 1.731 0 O-C-N 119.774 -1.829 . . . . 74.3 114.377 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 N--CA 1.516 2.853 0 N-CA-C 117.397 2.369 . . . . 72.5 117.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -72.85 -44.02 61.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.63 1.172 . . . . 74.24 112.047 -170.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.52 -6.59 49.32 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 114.679 1.363 . . . . 75.02 114.679 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.5 -46.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 125.745 1.618 . . . . 74.11 110.706 169.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.8 mtt -68.34 -42.71 78.87 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.624 0.972 . . . . 73.22 113.624 -147.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -105.19 119.34 38.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 107.234 -1.395 . . . . 73.42 107.234 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -148.46 -29.4 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 113.544 0.942 . . . . 75.5 113.544 -175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.9 mtm -79.74 150.72 30.72 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.225 -1.547 . . . . 74.13 112.212 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p 75.03 -9.58 1.35 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.157 2.583 . . . . 75.11 116.56 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.05 130.05 34.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 121.083 -1.011 . . . . 73.41 112.539 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -149.71 164.97 33.8 Favored 'General case' 0 C--N 1.353 0.717 0 O-C-N 120.797 -1.19 . . . . 75.31 109.278 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.78 -33.6 73.22 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.348 1.859 . . . . 74.23 110.245 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.01 68.1 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 116.044 1.868 . . . . 73.03 116.044 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -65.52 -46.66 69.04 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-O 116.628 -1.654 . . . . 74.51 114.109 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.33 -28.15 33.47 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 CA-C-N 124.894 2.784 . . . . 72.31 113.341 164.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ttt -69.4 -43.06 74.21 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.973 1.26 . . . . 75.11 112.397 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.46 -31.02 66.69 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.331 1.052 . . . . 75.24 112.04 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.75 98.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.01 0.924 . . . . 70.31 111.738 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -74.19 0.02 15.36 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.328 1.451 . . . . 75.12 113.875 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -87.71 -48.66 7.69 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.238 -2.164 . . . . 74.13 109.733 163.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.49 -37.03 37.72 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.202 -1.561 . . . . 74.51 114.456 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.54 -38.65 81.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 127.01 2.124 . . . . 74.34 110.825 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.51 -9.53 54.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 113.991 -1.459 . . . . 74.34 109.277 -173.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.55 46.63 14.55 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.662 1.985 . . . . 72.4 113.081 -176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.86 157.43 48.29 Favored Pre-proline 0 C--N 1.348 0.539 0 C-N-CA 124.541 1.137 . . . . 62.42 108.869 -175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -75.31 167.09 27.49 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.539 2.159 . . . . 73.11 113.217 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.59 -25.65 68.06 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.676 2.39 . . . . 61.03 110.003 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.15 68.86 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.651 1.98 . . . . 65.12 113.776 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 m -102.93 -23.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 120.54 -1.35 . . . . 75.34 112.051 -172.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -67.91 -31.68 71.63 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.115 -1.616 . . . . 64.43 110.574 167.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.64 -21.68 61.05 Favored 'General case' 0 C--N 1.361 1.073 0 O-C-N 121.431 -0.793 . . . . 73.23 112.627 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.11 -37.57 83.23 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.124 -0.985 . . . . 75.51 112.78 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.46 -43.88 96.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.276 1.213 . . . . 73.42 114.276 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.3 p90 -72.33 -33.96 67.72 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 116.476 2.028 . . . . 72.31 116.476 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -63.53 -21.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.275 1.83 . . . . 74.13 114.629 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.9 -40.33 76.07 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 127.355 2.262 . . . . 75.44 111.464 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -79.42 -10.05 59.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.764 0.826 . . . . 75.12 111.911 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -64.49 125.9 26.12 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 121.104 -0.997 . . . . 74.35 111.91 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -69.9 132.72 46.42 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.158 -1.589 . . . . 74.33 111.254 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -9.81 71.37 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 121.82 -0.55 . . . . 73.24 113.438 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -98.15 138.14 35.88 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 119.088 1.444 . . . . 72.33 112.293 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -112.34 124.26 52.08 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 122.84 1.305 . . . . 74.43 107.541 166.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -104.17 125.2 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 125.22 1.408 . . . . 74.44 107.35 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -123.95 0.24 8.53 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.461 1.104 . . . . 74.23 111.259 -172.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -87.69 133.33 33.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.904 0.882 . . . . 63.44 112.13 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.63 -31.45 70.64 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.077 1.751 . . . . 74.43 113.834 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.2 -31.34 71.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 115.399 1.629 . . . . 72.13 115.399 169.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.709 0.766 . . . . 63.45 110.804 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.27 99.35 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 120.975 -1.078 . . . . 74.2 114.04 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.81 -41.32 97.92 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.799 1.239 . . . . 50.32 111.382 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.9 -41.51 87.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 121.11 -0.993 . . . . 75.44 112.315 171.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.75 -46.19 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 O-C-N 120.669 -1.27 . . . . 71.02 112.889 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.27 -28.53 67.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.423 1.268 . . . . 71.4 114.423 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.33 -42.87 99.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.889 1.676 . . . . 65.24 112.387 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.09 -37.11 81.54 Favored 'General case' 0 C--N 1.369 1.417 0 CA-C-N 121.088 1.767 . . . . 74.55 113.814 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -58.18 -36.05 72.48 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 115.818 1.784 . . . . 62.25 115.818 -174.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -70.69 -42.1 71.12 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 113.356 0.873 . . . . 70.03 113.356 165.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.8 mttm -89.96 46.59 1.37 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.41 -1.431 . . . . 72.23 113.851 -169.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 62' ' ' LEU . 84.7 mt -92.79 -12.59 30.84 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 123.54 1.638 . . . . 74.53 109.394 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.14 -28.18 69.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 127.434 2.294 . . . . 74.12 110.459 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -74.65 -23.76 58.71 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.947 2.499 . . . . 75.4 111.486 -177.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.507 HD12 HD21 ' A' ' 59' ' ' LEU . 64.6 mt -76.18 160.6 29.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.855 2.462 . . . . 74.43 110.826 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.76 146.98 32.04 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.429 -1.419 . . . . 73.4 111.052 -172.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.64 -30.28 70.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.758 1.392 . . . . 75.32 114.758 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -58.59 -35.45 72.43 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.106 -1.621 . . . . 75.02 113.506 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.34 -17.63 58.1 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.948 -1.095 . . . . 72.04 112.905 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 64.42 27.07 13.58 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.803 2.841 . . . . 73.1 116.569 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.37 120.46 24.99 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.865 -1.772 . . . . 73.11 110.34 178.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.13 147.22 38.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.223 -1.769 . . . . 75.21 106.223 168.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.492 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.3 t60 -65.78 129.68 40.63 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.279 1.032 . . . . 74.24 111.125 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.59 -11.23 72.21 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 124.146 0.879 . . . . 71.33 114.96 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.69 25.42 9.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.805 1.302 . . . . 75.53 110.651 -172.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.11 83.06 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 124.758 1.223 . . . . 74.14 114.276 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.6 mtm -61.05 -39.02 88.26 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.761 1.164 . . . . 72.44 112.42 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.84 -45.31 44.05 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 112.985 0.735 . . . . 72.33 112.985 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -61.52 -45.1 95.62 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.352 1.861 . . . . 74.22 113.025 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.78 83.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 121.207 -0.933 . . . . 73.34 112.697 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.1 mtm -63.53 -37.46 87.39 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 114.501 1.297 . . . . 73.4 114.501 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -61.5 -27.1 68.34 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.806 -1.184 . . . . 64.24 112.49 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.25 14.66 21.56 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.591 1.556 . . . . 72.33 114.6 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.35 -2.56 61.09 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 121.106 -0.996 . . . . 65.14 113.844 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 143.52 56.02 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.465 -1.021 . . . . 73.35 111.663 165.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -80.97 170.99 15.55 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 119.508 -1.995 . . . . 62.03 108.418 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.19 -34.63 78.52 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.588 -1.32 . . . . 71.22 112.683 -172.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.5 80.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.136 1.774 . . . . 71.31 112.59 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.49 -36.37 73.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.954 -1.092 . . . . 75.23 111.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.44 88.46 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.179 1.392 . . . . 73.1 112.818 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -75.49 -25.66 57.51 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.717 0.807 . . . . 75.52 111.915 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -42.05 97.05 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.81 1.411 . . . . 73.15 114.81 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.77 -41.83 99.41 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 121.239 1.836 . . . . 73.03 112.333 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.094 -1.004 . . . . 71.4 111.822 172.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.74 -42.66 97.82 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.458 -1.401 . . . . 72.13 112.57 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.42 -45.14 93.8 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 124.458 1.103 . . . . 74.13 110.17 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.89 -56.41 22.62 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 121.862 -0.524 . . . . 65.22 112.046 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -68.32 -29.16 67.85 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.46 -0.775 . . . . 73.31 110.91 -174.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.0 t -66.74 -40.07 88.17 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 122.533 1.158 . . . . 62.33 113.337 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.452 ' HA ' HG23 ' A' ' 100' ' ' VAL . 18.5 m -69.27 -34.64 75.06 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.22 1.408 . . . . 74.42 114.424 172.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.35 -32.11 70.95 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.065 -1.022 . . . . 74.4 111.601 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -83.33 -20.4 34.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.537 0.735 . . . . 74.15 111.721 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.16 -29.51 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 121.495 -0.753 . . . . 74.14 111.169 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 157.18 6.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 114.692 1.367 . . . . 73.45 114.692 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 m -70.53 127.74 33.74 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.975 -1.078 . . . . 73.41 112.22 164.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.3 mt -110.98 132.48 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.687 0 C-N-CA 129.847 3.259 . . . . 75.41 103.201 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.0 t -115.6 128.17 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 106.153 -1.795 . . . . 75.13 106.153 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.75 96.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 114.727 1.38 . . . . 73.01 114.727 173.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.38 -38.78 92.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.225 1.81 . . . . 75.22 112.978 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.63 89.93 42.13 Favored Pre-proline 0 C--N 1.349 0.554 0 CA-C-O 118.699 -0.667 . . . . 61.32 109.98 -158.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -69.35 -13.16 35.23 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.742 2.295 . . . . 75.32 112.73 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.65 -44.36 78.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.994 1.318 . . . . 74.51 110.482 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.14 95.45 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.156 0.982 . . . . 75.43 111.822 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.2 m -56.58 -46.45 80.79 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 112.935 0.716 . . . . 75.22 112.935 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -46.69 74.12 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 117.392 2.367 . . . . 74.43 117.392 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -44.61 88.0 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.238 -1.539 . . . . 74.11 112.784 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.97 -41.7 99.62 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.902 0.881 . . . . 73.32 109.695 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.42 -46.52 85.98 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 121.603 -0.685 . . . . 73.21 112.061 175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.825 1.25 . . . . 73.31 110.837 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -72.64 -27.38 62.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.309 -0.377 . . . . 72.44 110.96 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.86 -46.75 56.85 Favored 'General case' 0 C--N 1.369 1.45 0 O-C-N 120.73 -1.231 . . . . 75.34 113.466 166.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.64 -47.39 76.72 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 114.879 1.436 . . . . 72.5 114.879 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -62.46 -33.15 74.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 121.979 0.895 . . . . 71.53 110.856 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 122.478 1.132 . . . . 64.53 111.703 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -67.64 -46.23 73.03 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 115.279 1.585 . . . . 75.52 115.279 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.1 pt -67.48 -21.2 27.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 118.596 -2.565 . . . . 73.53 115.453 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -61.78 -41.23 97.46 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.751 1.22 . . . . 75.42 111.612 168.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -76.02 -24.42 55.24 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 121.742 0.782 . . . . 74.51 113.103 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.86 154.05 42.71 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.419 2.288 . . . . 64.45 115.508 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -84.05 0.17 49.3 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.994 1.318 . . . . 75.12 111.836 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -134.79 155.98 49.66 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.237 -1.764 . . . . 72.15 106.237 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.39 37.75 Favored Pre-proline 0 N--CA 1.444 -0.767 0 CA-C-O 118.504 -0.76 . . . . 71.13 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.58 151.79 70.12 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.623 2.215 . . . . 74.51 109.532 157.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.3 p -84.46 168.86 15.1 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.968 -1.493 . . . . 72.2 106.968 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.52 -29.34 70.49 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.277 -1.515 . . . . 74.5 113.09 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.32 -38.4 83.59 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.988 0.915 . . . . 72.32 111.858 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -45.38 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 C-N-CA 127.474 2.309 . . . . 74.3 111.144 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.58 84.72 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.416 -1.427 . . . . 74.41 113.966 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.35 -30.19 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 C-N-CA 118.298 -1.361 . . . . 74.42 109.101 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -43.04 99.18 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-O 119.273 -0.737 . . . . 74.12 114.219 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.35 79.79 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.446 1.623 . . . . 74.43 113.038 178.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 52.2 mt -63.39 -51.11 67.18 Favored 'General case' 0 CA--C 1.474 -1.952 0 C-N-CA 124.721 1.209 . . . . 74.44 112.434 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 56' ' ' ALA . 35.3 mt -70.03 -40.9 74.91 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.281 -1.327 . . . . 74.04 111.706 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.82 92.18 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 120.267 -1.521 . . . . 75.12 114.094 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.92 29.62 3.0 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.835 -1.166 . . . . 73.24 111.496 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.492 HG21 ' CE1' ' A' ' 70' ' ' HIS . 13.1 t . . . . . 0 C--O 1.265 1.88 0 O-C-N 119.761 -1.837 . . . . 72.45 113.474 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.518 2.967 0 N-CA-C 115.162 1.541 . . . . 75.52 115.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.69 74.43 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.272 1.582 . . . . 75.12 115.272 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -95.43 8.11 44.21 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.307 -0.871 . . . . 75.43 112.759 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.4 t -104.88 -57.52 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 105.564 -2.013 . . . . 73.41 105.564 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 75.9 mtm 68.85 -40.43 0.44 Allowed 'General case' 0 N--CA 1.434 -1.229 1 C-N-CA 133.195 4.598 . . . . 73.22 112.68 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -66.2 157.08 32.3 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 116.03 1.863 . . . . 75.13 116.03 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.91 -40.67 87.76 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.199 1.799 . . . . 73.4 114.873 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -143.98 166.11 25.88 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.526 -0.734 . . . . 71.21 110.881 -166.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.2 t -130.16 155.97 45.34 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 105.919 -1.882 . . . . 75.52 105.919 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -111.02 129.86 65.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.139 0.976 . . . . 65.14 108.475 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -77.63 164.26 25.49 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 114.297 1.221 . . . . 65.45 114.297 -171.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.67 -39.0 76.09 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.343 2.657 . . . . 75.55 112.567 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.55 69.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 117.091 2.256 . . . . 74.1 117.091 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.05 -45.81 91.46 Favored Pre-proline 0 C--N 1.356 0.859 0 CA-C-O 116.241 -1.837 . . . . 74.13 114.564 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.91 -27.35 37.0 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 125.272 2.918 . . . . 74.53 112.881 167.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ttt -72.16 -42.77 65.55 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.596 1.089 . . . . 73.43 111.741 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.41 -32.26 69.81 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.179 0.992 . . . . 70.35 112.07 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.77 96.27 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 121.171 -0.956 . . . . 75.44 111.956 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.57 -2.27 16.42 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.907 1.283 . . . . 72.33 114.455 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.16 -49.11 7.99 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.426 -2.046 . . . . 74.43 110.378 163.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.67 -36.92 36.99 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.206 -1.559 . . . . 75.1 114.65 -173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.43 -37.94 79.39 Favored 'General case' 0 CA--C 1.495 -1.148 0 C-N-CA 127.59 2.356 . . . . 75.04 110.351 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.64 -9.57 49.12 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.206 -1.361 . . . . 73.24 109.376 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.15 46.51 15.89 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.802 2.041 . . . . 64.41 113.268 -175.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.94 156.89 49.63 Favored Pre-proline 0 C--N 1.348 0.525 0 C-N-CA 124.232 1.013 . . . . 75.42 108.912 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.27 166.5 28.75 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.49 2.127 . . . . 75.22 113.719 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.75 -25.69 68.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.723 2.409 . . . . 74.41 110.343 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.22 69.18 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 126.333 1.853 . . . . 74.42 114.418 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.15 -26.52 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 118.741 -1.184 . . . . 75.33 110.935 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -64.91 -28.3 69.44 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 118.551 -2.593 . . . . 74.13 111.239 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.494 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -74.18 -18.62 60.74 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-O 122.004 0.907 . . . . 72.41 113.197 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -72.6 -30.05 64.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 121.365 -0.834 . . . . 73.1 110.842 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' HG12 ' A' ' 52' ' ' ILE . 14.6 t80 -63.32 -45.48 91.13 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 114.015 1.117 . . . . 74.53 114.015 172.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.4 p90 -71.47 -34.27 70.04 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.127 -1.608 . . . . 75.01 115.137 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.48 -17.25 64.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.201 1.4 . . . . 65.13 114.442 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -58.13 -41.6 84.01 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.885 2.074 . . . . 73.22 110.973 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -81.71 -8.82 59.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.78 0.832 . . . . 72.53 111.357 -171.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -64.51 131.21 46.44 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 123.773 0.829 . . . . 63.52 111.459 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.87 135.42 51.06 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.715 -1.866 . . . . 70.31 112.874 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -12.84 66.91 Favored Glycine 0 C--N 1.352 1.457 0 O-C-N 121.579 -0.7 . . . . 74.41 112.996 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -88.02 134.85 33.65 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.856 1.328 . . . . 75.22 112.173 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.64 119.94 38.46 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 123.27 1.509 . . . . 64.13 108.963 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.1 123.67 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 125.082 1.353 . . . . 74.33 107.881 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -126.71 5.28 6.72 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.453 1.101 . . . . 74.43 111.375 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -87.05 134.47 33.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.384 1.073 . . . . 74.34 111.86 -167.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -59.76 -32.7 70.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.505 1.922 . . . . 70.23 113.533 -173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.01 -30.13 71.36 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 116.502 2.038 . . . . 72.05 116.502 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.84 89.23 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 118.612 0.642 . . . . 73.22 111.359 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.19 97.13 Favored Glycine 0 CA--C 1.488 -1.606 0 O-C-N 120.513 -1.367 . . . . 72.13 112.949 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.317 1.047 . . . . 74.34 110.977 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.31 -42.44 84.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 O-C-N 121.278 -0.888 . . . . 74.32 111.95 172.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.8 mt -60.12 -45.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.76 -1.213 . . . . 74.43 112.418 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.89 -28.47 67.54 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.917 1.451 . . . . 74.43 114.917 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.44 -41.17 96.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.135 1.774 . . . . 74.22 112.695 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.61 -38.75 85.74 Favored 'General case' 0 C--N 1.367 1.338 0 CA-C-N 122.405 2.366 . . . . 74.41 112.782 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.35 -36.87 66.77 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 126.051 1.74 . . . . 74.33 114.404 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.81 -18.43 44.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.234 -0.916 . . . . 74.41 112.144 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 65.7 mttm -112.67 33.52 4.93 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.037 1.735 . . . . 72.1 112.707 -175.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 HD12 ' A' ' 62' ' ' LEU . 96.5 mt -78.75 -23.8 45.17 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 119.889 -1.757 . . . . 75.41 110.692 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.96 -25.56 67.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 126.766 2.026 . . . . 71.25 111.359 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -70.13 -28.97 65.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.405 2.282 . . . . 75.41 111.55 176.777 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.505 HD12 HD21 ' A' ' 59' ' ' LEU . 66.1 mt -68.86 161.56 28.37 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.961 2.104 . . . . 74.31 112.833 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -63.75 131.43 47.85 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.087 -1.008 . . . . 73.54 112.64 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.91 -27.28 69.26 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.623 -1.298 . . . . 72.0 113.306 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.22 -35.05 69.2 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.711 -1.243 . . . . 75.34 113.396 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.19 -12.72 59.11 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.618 -1.301 . . . . 74.01 112.708 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 62.08 27.02 16.31 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.976 2.51 . . . . 75.13 116.45 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.13 122.53 27.47 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.01 -1.681 . . . . 74.05 111.453 178.231 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.58 144.76 36.02 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.59 -2.004 . . . . 75.05 105.59 165.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.96 138.64 54.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.692 1.711 . . . . 75.41 115.152 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.95 -12.31 69.46 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 112.594 -2.094 . . . . 73.15 114.725 -172.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 31.16 6.36 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.861 1.331 . . . . 72.34 110.985 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.11 88.72 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.341 1.237 . . . . 71.34 114.341 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.0 mtp -61.7 -40.42 94.96 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 119.606 1.094 . . . . 72.42 112.768 -175.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.23 -44.87 67.69 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 113.038 0.755 . . . . 73.45 113.038 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.54 -48.14 83.1 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.789 2.035 . . . . 74.3 113.047 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.05 94.18 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.074 -1.016 . . . . 71.42 113.331 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.9 -35.15 79.71 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.908 1.077 . . . . 73.52 113.908 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.21 -28.19 68.97 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.76 -1.213 . . . . 73.23 112.631 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.81 14.15 22.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 125.915 1.686 . . . . 74.15 114.529 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.89 -1.54 63.41 Favored Glycine 0 C--N 1.35 1.357 0 O-C-N 121.128 -0.982 . . . . 51.32 114.075 167.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.19 140.69 58.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 118.472 1.136 . . . . 74.12 111.581 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -80.99 169.82 17.03 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 119.525 -1.984 . . . . 74.44 108.169 168.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -34.81 79.21 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.605 -1.309 . . . . 75.14 112.62 -172.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.7 86.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.362 1.865 . . . . 63.25 112.538 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -68.07 -39.25 83.0 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.482 1.113 . . . . 75.54 112.341 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.21 87.41 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 123.651 0.78 . . . . 72.23 112.985 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.54 -28.4 65.97 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.869 -1.144 . . . . 74.4 111.976 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.05 -43.0 99.54 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 115.314 1.598 . . . . 71.34 115.314 170.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.35 -41.62 98.86 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 121.622 2.01 . . . . 75.13 112.181 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.99 -39.97 95.33 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.756 -1.215 . . . . 74.02 112.006 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.09 -42.42 96.95 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.35 -1.468 . . . . 50.12 112.549 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.66 -45.28 94.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 124.513 1.125 . . . . 75.43 109.925 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -59.76 -53.81 53.66 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 121.787 -0.57 . . . . 72.52 111.61 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.01 -24.88 59.63 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 120.738 -1.226 . . . . 74.21 111.476 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -64.92 -43.86 91.43 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-O 122.715 1.245 . . . . 73.4 111.714 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.453 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.6 m -66.96 -32.25 73.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.669 1.359 . . . . 73.42 114.669 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.49 -26.55 67.98 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 125.174 1.389 . . . . 74.32 112.312 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -77.37 -42.84 34.91 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.08 1.752 . . . . 75.34 110.164 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 97' ' ' CYS . 21.1 m -83.9 -34.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.367 0.667 . . . . 72.42 112.391 -171.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.43 155.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 122.726 1.25 . . . . 75.03 114.103 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -67.14 123.57 20.66 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.882 -1.136 . . . . 74.44 111.718 164.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -104.39 132.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 C-N-CA 128.822 2.849 . . . . 74.23 103.767 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -112.68 128.21 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 N-CA-C 106.103 -1.814 . . . . 71.11 106.103 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.3 89.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.245 1.202 . . . . 73.51 114.245 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -64.25 -38.08 89.78 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.778 1.631 . . . . 73.4 114.583 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -130.56 98.89 19.42 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-O 117.58 -1.2 . . . . 63.14 109.15 -162.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.77 -13.97 38.1 Favored 'Trans proline' 0 C--N 1.326 -0.629 0 CA-C-N 124.048 2.482 . . . . 75.35 112.628 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.2 -45.13 67.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.102 1.361 . . . . 72.51 110.909 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -45.09 96.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.922 -1.111 . . . . 72.5 112.007 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -56.72 -46.38 81.32 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.444 0.565 . . . . 72.4 111.733 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.82 -48.77 70.58 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.712 -1.242 . . . . 74.13 113.82 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -45.45 78.03 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.817 1.247 . . . . 70.41 112.847 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.36 -41.11 98.34 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.027 0.931 . . . . 65.1 109.375 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.02 -46.8 85.88 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.472 -0.767 . . . . 74.4 112.564 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.26 99.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 124.381 1.072 . . . . 70.24 111.072 -173.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -71.09 -29.48 65.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.025 -0.534 . . . . 73.35 111.674 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.4 t -69.58 -46.67 65.81 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-N 120.383 1.447 . . . . 72.14 113.7 166.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -55.63 -48.07 75.56 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.029 1.492 . . . . 72.44 115.029 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.446 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.2 tptt -62.01 -31.8 72.23 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.628 1.171 . . . . 62.43 112.344 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.63 98.43 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.249 1.023 . . . . 75.01 112.189 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.19 -46.27 71.12 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.17 1.388 . . . . 75.42 114.259 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 120' ' ' LYS . 15.3 pt -66.17 -22.57 30.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.07 -2.269 . . . . 74.12 114.39 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.58 -37.24 85.41 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.546 1.138 . . . . 73.15 111.752 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.28 -26.21 58.59 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.986 0.914 . . . . 74.1 112.664 -174.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.9 151.23 46.83 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.478 2.311 . . . . 75.42 115.483 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -84.59 0.03 51.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.748 -1.569 . . . . 64.32 112.563 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -131.02 154.99 47.6 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.47 -1.678 . . . . 74.1 106.47 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.64 117.68 42.16 Favored Pre-proline 0 N--CA 1.443 -0.806 0 CA-C-O 118.508 -0.758 . . . . 74.53 111.333 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.07 146.85 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.26 1.973 . . . . 63.5 108.901 155.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.5 t -79.69 165.44 22.84 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.822 -0.807 . . . . 75.21 108.822 164.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -30.83 71.48 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.815 -1.178 . . . . 74.12 112.31 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.82 -42.08 92.7 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 112.673 0.62 . . . . 75.11 112.673 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 134' ' ' VAL . 2.3 p -84.42 -44.69 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 126.482 1.913 . . . . 73.34 114.163 174.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.342 -0.849 . . . . 73.34 113.109 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.14 -28.58 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.139 0 O-C-N 120.925 -1.109 . . . . 73.43 108.346 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.8 99.78 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.934 -0.925 . . . . 74.44 113.878 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.98 -36.95 86.07 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.417 1.609 . . . . 73.43 113.242 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 59.5 mt -62.52 -51.56 66.92 Favored 'General case' 0 CA--C 1.481 -1.689 0 N-CA-C 113.369 0.877 . . . . 74.52 113.369 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 56' ' ' ALA . 46.6 mt -69.58 -40.06 76.94 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 114.862 -1.063 . . . . 74.53 111.439 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.28 94.22 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.126 -1.609 . . . . 73.0 113.466 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -95.93 32.99 1.77 Allowed 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.004 -1.06 . . . . 75.42 111.363 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.025 -1.672 . . . . 74.21 114.506 179.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 115.312 1.597 . . . . 71.34 115.312 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -69.29 -35.73 76.31 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.93 1.292 . . . . 73.22 112.782 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -75.09 -9.23 58.34 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 122.853 1.311 . . . . 74.44 114.47 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.86 -45.79 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 113.346 -1.752 . . . . 73.13 110.558 170.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 68.4 mtt -67.29 -40.83 86.12 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 114.818 1.414 . . . . 75.22 114.818 -148.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.23 129.4 35.87 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.683 0.793 . . . . 73.31 112.384 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -62.97 -43.78 97.84 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.24 1.416 . . . . 74.52 114.687 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mmt -94.05 123.79 37.64 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.242 -0.911 . . . . 75.55 109.309 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.2 t -150.63 177.78 9.72 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.959 -1.497 . . . . 73.44 106.959 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 tt -120.46 139.27 48.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 124.595 1.158 . . . . 73.32 108.549 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -64.23 -19.3 65.27 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 125.132 1.373 . . . . 73.45 113.803 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.91 -31.31 69.71 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.161 2.184 . . . . 54.22 111.12 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.0 69.52 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 116.623 2.083 . . . . 64.0 116.623 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -64.58 -46.82 77.2 Favored Pre-proline 0 C--N 1.353 0.718 0 O-C-N 120.536 -1.353 . . . . 73.34 113.199 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.38 -26.93 40.75 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 CA-C-N 124.077 2.492 . . . . 73.02 114.747 166.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.2 mtp -64.77 -43.67 92.49 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.079 1.763 . . . . 75.13 113.567 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.35 -31.51 67.45 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 121.035 -1.04 . . . . 75.3 111.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.08 94.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 113.329 0.863 . . . . 74.03 113.329 168.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.3 m -60.21 -44.19 95.35 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.334 0.97 . . . . 73.22 110.345 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -59.3 -42.94 92.51 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 119.638 -1.914 . . . . 73.43 112.627 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.22 -39.74 47.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.549 1.314 . . . . 75.43 114.549 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.59 -39.7 85.02 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 127.589 2.356 . . . . 75.21 110.209 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -87.7 -6.44 58.21 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.104 -0.953 . . . . 74.11 110.231 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.49 46.22 21.03 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.309 2.244 . . . . 74.54 113.634 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.01 158.2 44.69 Favored Pre-proline 0 C--N 1.349 0.583 0 C-N-CA 124.55 1.14 . . . . 75.42 108.95 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.5 167.11 27.89 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.536 2.157 . . . . 74.32 113.418 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.34 -33.42 73.6 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.063 2.545 . . . . 71.25 109.415 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.41 64.58 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.84 2.456 . . . . 75.52 113.784 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 m -100.0 -26.47 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 120.631 -1.293 . . . . 72.41 111.989 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.2 ptm -65.36 -34.19 77.73 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.551 -1.343 . . . . 73.22 112.282 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -71.49 -22.64 61.77 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.256 1.027 . . . . 73.43 111.88 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.21 -32.81 72.33 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.189 0.996 . . . . 63.35 110.782 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.19 -47.36 86.47 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 113.703 1.001 . . . . 74.34 113.703 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 44.6 p90 -71.68 -30.43 65.68 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 120.068 -1.645 . . . . 75.5 114.704 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.87 -5.01 14.58 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 114.494 1.294 . . . . 75.44 114.494 171.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.69 -41.85 91.64 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 124.827 1.251 . . . . 73.11 109.468 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -79.44 -11.07 59.92 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.734 0.814 . . . . 74.34 111.581 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -63.45 130.78 45.87 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.68 1.192 . . . . 74.54 111.761 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.18 134.55 51.94 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.923 -1.736 . . . . 74.22 113.039 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.54 -12.92 65.39 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.654 -0.654 . . . . 75.31 113.069 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -88.37 133.62 34.04 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.083 1.442 . . . . 74.21 112.046 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.17 123.7 50.26 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.758 1.266 . . . . 74.42 107.793 164.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.27 123.01 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 C-N-CA 123.949 0.9 . . . . 73.33 108.615 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -124.03 1.23 8.59 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.133 0.973 . . . . 74.33 111.83 -170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -87.99 134.54 33.71 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.061 0.944 . . . . 72.43 112.394 -168.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -60.13 -32.81 71.36 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.274 1.829 . . . . 75.22 113.677 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.63 -31.69 72.59 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.71 1.744 . . . . 75.23 115.71 169.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.16 -41.92 89.51 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.952 0.882 . . . . 73.51 110.479 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -41.07 99.91 Favored Glycine 0 CA--C 1.492 -1.395 0 C-N-CA 124.466 1.032 . . . . 62.15 113.76 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.87 -41.51 95.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.178 0.991 . . . . 65.14 111.456 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.2 -41.22 86.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 120.913 -1.117 . . . . 75.04 112.153 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mt -59.06 -45.84 92.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 O-C-N 120.311 -1.493 . . . . 74.2 113.362 -176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.03 -29.18 68.91 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 114.367 1.247 . . . . 71.41 114.367 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.1 t -62.42 -42.36 99.39 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.137 1.375 . . . . 73.32 112.131 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -38.05 83.35 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-N 121.042 1.746 . . . . 73.45 114.322 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -58.45 -37.74 76.06 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 115.035 1.495 . . . . 71.24 115.035 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 -41.83 77.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.115 0.959 . . . . 73.32 112.81 167.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.7 mttm -92.02 43.95 1.15 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.573 -1.329 . . . . 75.53 113.526 -169.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 62' ' ' LEU . 88.3 mt -89.35 -23.36 22.25 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 123.494 1.616 . . . . 71.35 109.75 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.79 -15.78 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.12 1.368 . . . . 54.43 112.397 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -73.83 -25.88 60.31 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.613 1.965 . . . . 73.24 111.928 172.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 59' ' ' LEU . 62.2 mt -75.11 162.34 28.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.395 2.278 . . . . 64.33 110.83 -172.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.01 142.51 41.84 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 120.646 -1.284 . . . . 71.34 112.909 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -63.38 -28.98 70.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.88 -1.138 . . . . 64.13 113.736 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.61 -36.83 72.29 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.541 -1.35 . . . . 61.05 113.009 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -80.8 -11.52 59.59 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.888 -1.132 . . . . 74.04 112.737 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 62.4 25.67 15.31 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 128.033 2.533 . . . . 72.3 116.546 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.75 122.51 27.76 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 119.959 -1.713 . . . . 73.54 111.119 178.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -142.12 154.55 44.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.155 -1.794 . . . . 63.25 106.155 167.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -72.36 139.63 48.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.746 1.26 . . . . 74.04 112.704 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.61 -14.33 64.28 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 115.833 1.093 . . . . 70.21 115.833 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -115.98 45.14 1.79 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.036 1.418 . . . . 73.34 109.4 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.82 90.63 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 124.742 1.217 . . . . 74.4 113.248 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.69 -40.6 95.57 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 119.686 1.13 . . . . 74.41 112.57 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.26 -44.95 74.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.195 0.813 . . . . 64.51 113.195 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.67 -49.17 78.57 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.137 1.775 . . . . 75.53 113.342 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 124.59 1.156 . . . . 70.13 112.996 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 96.5 mtp -63.93 -36.03 82.61 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 113.822 1.045 . . . . 75.22 113.822 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -61.21 -27.8 68.69 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.655 -1.278 . . . . 74.23 112.595 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.26 13.66 20.6 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 125.668 1.587 . . . . 70.14 114.458 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.94 -0.58 62.62 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 121.039 -1.038 . . . . 74.33 114.251 167.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.42 57.73 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.498 1.149 . . . . 63.55 111.721 164.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -81.34 168.41 18.43 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.494 -2.004 . . . . 72.3 107.875 168.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.07 -35.19 80.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.653 -1.279 . . . . 70.14 112.663 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.81 84.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.221 1.808 . . . . 53.44 112.265 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -70.15 -36.67 74.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.964 -1.085 . . . . 75.14 112.397 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.03 88.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.247 0.832 . . . . 71.51 113.247 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -68.75 -27.64 66.09 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.772 -1.205 . . . . 72.44 112.253 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.96 -42.29 97.99 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 115.152 1.538 . . . . 73.34 115.152 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.04 -41.84 99.61 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 121.641 2.019 . . . . 70.0 112.264 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.03 -40.64 96.77 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.036 -1.04 . . . . 71.03 111.878 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.53 -42.84 98.41 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 120.544 -1.347 . . . . 70.34 112.526 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.39 -45.61 93.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.406 1.083 . . . . 73.22 110.293 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.92 -56.91 16.15 Favored 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 122.106 -0.371 . . . . 71.31 111.989 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 98' ' ' GLU . 91.2 m-70 -68.6 -29.51 68.06 Favored 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 121.424 -0.798 . . . . 75.3 110.865 -174.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -66.42 -43.08 86.71 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.246 1.022 . . . . 73.01 112.219 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.451 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.3 m -65.55 -32.06 73.44 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.096 1.358 . . . . 73.05 114.657 174.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' HA ' ' A' ' 95' ' ' HIS . 40.5 mt-10 -61.09 -29.62 69.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.021 -1.049 . . . . 70.43 111.359 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -70.65 -41.34 72.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.795 2.438 . . . . 74.22 110.098 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 97' ' ' CYS . 26.4 m -94.55 -28.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 115.675 -0.693 . . . . 70.13 111.156 -164.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.6 157.09 6.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-O 122.78 1.276 . . . . 75.31 113.738 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -69.34 124.07 22.87 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.814 -1.179 . . . . 74.21 111.757 164.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.4 mt -104.47 131.93 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 0 C-N-CA 129.413 3.085 . . . . 74.51 103.52 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.34 127.7 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 N-CA-C 106.427 -1.694 . . . . 64.21 106.427 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.58 94.43 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.762 1.393 . . . . 74.35 114.762 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.81 -39.08 93.39 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.317 1.847 . . . . 74.4 112.797 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.55 97.95 18.73 Favored Pre-proline 0 C--N 1.349 0.565 0 CA-C-O 118.103 -0.951 . . . . 72.42 110.857 -159.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.17 -13.7 36.63 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 CA-C-N 123.549 2.303 . . . . 74.31 112.918 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.37 -45.52 72.56 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.04 1.336 . . . . 64.44 110.898 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -45.51 93.68 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.353 1.061 . . . . 74.43 112.609 168.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 m -57.39 -46.41 83.48 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.163 0.892 . . . . 73.15 112.81 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -46.83 75.5 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 117.667 2.469 . . . . 75.23 117.667 169.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -44.58 84.03 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.23 -1.544 . . . . 74.12 112.717 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.75 -41.29 99.13 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.847 0.859 . . . . 75.32 109.385 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.63 -46.8 84.06 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 121.427 -0.795 . . . . 75.44 112.521 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.67 97.56 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.608 1.163 . . . . 71.33 111.038 -174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.0 ptp -67.77 -31.96 72.21 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.015 -0.539 . . . . 72.11 111.482 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -70.69 -46.61 62.83 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 120.246 1.384 . . . . 73.24 113.68 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.75 -48.4 75.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.967 1.469 . . . . 70.22 114.967 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -63.88 -29.63 70.79 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.637 0.732 . . . . 70.33 112.201 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.3 99.11 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 122.335 1.064 . . . . 74.34 111.882 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -67.76 -46.22 72.68 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 125.363 1.465 . . . . 74.55 114.72 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.1 pt -66.77 -21.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 O-C-N 118.542 -2.599 . . . . 74.51 115.78 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.11 -37.89 89.0 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.004 0.921 . . . . 74.02 111.625 168.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -76.17 -25.16 54.98 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 121.416 -0.802 . . . . 74.34 112.952 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.19 153.09 44.44 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.215 2.206 . . . . 73.24 115.178 -174.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -0.17 54.44 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.756 1.222 . . . . 70.14 111.758 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -131.01 154.88 47.71 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 106.771 -1.566 . . . . 74.23 106.771 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.97 118.2 42.86 Favored Pre-proline 0 N--CA 1.443 -0.793 0 CA-C-O 118.57 -0.729 . . . . 74.54 111.352 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.46 152.39 70.83 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.582 2.188 . . . . 74.33 108.849 156.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.6 p -83.2 167.59 17.57 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 106.419 -1.697 . . . . 70.42 106.419 172.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.6 -31.54 72.4 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.252 -1.53 . . . . 74.54 112.526 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -60.65 -40.28 91.46 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.385 -0.822 . . . . 51.32 112.493 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.37 -45.08 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 C-N-CA 126.266 1.827 . . . . 74.43 112.285 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.21 84.21 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 113.275 0.842 . . . . 74.15 113.275 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.94 -27.8 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.081 0 C-N-CA 118.667 -1.213 . . . . 75.41 108.715 175.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.44 99.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.091 -0.838 . . . . 71.12 113.784 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -64.92 -36.34 84.06 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.216 1.508 . . . . 74.01 113.451 174.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . 0.267 59.4 mt -62.51 -53.53 53.33 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 121.366 -0.834 . . . . 72.45 112.87 172.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 56' ' ' ALA . 62.0 mt -68.6 -39.7 80.76 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 114.808 -1.087 . . . . 74.3 112.637 -177.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.61 92.37 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.275 -1.515 . . . . 71.41 113.34 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.03 34.72 1.68 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.349 -0.845 . . . . 75.32 111.272 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.261 1.677 0 O-C-N 119.978 -1.701 . . . . 71.13 114.289 178.486 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 115.817 1.784 . . . . 74.23 115.817 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -86.78 117.35 25.47 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.716 -1.24 . . . . 64.41 110.016 -166.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 58.03 24.25 10.92 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 129.98 3.312 . . . . 75.05 113.72 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.46 -49.67 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 CA-C-O 121.755 0.788 . . . . 70.25 109.515 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.8 mtm -75.45 -37.52 60.29 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 122.954 1.359 . . . . 64.33 109.357 -151.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -153.38 170.56 20.39 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 102.859 -3.015 . . . . 74.11 102.859 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -105.41 121.26 43.55 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.507 -0.923 . . . . 75.5 108.507 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.5 ptm -159.59 162.67 35.36 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.155 -1.424 . . . . 73.23 107.155 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -143.77 152.91 41.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.726 -1.953 . . . . 75.11 105.726 166.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.33 134.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 124.388 1.075 . . . . 74.04 111.993 -177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -155.99 -174.7 5.07 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.855 -1.153 . . . . 72.3 108.202 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -67.03 -15.74 63.91 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.791 1.774 . . . . 74.41 115.791 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.49 72.69 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 116.646 2.091 . . . . 73.52 116.646 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.76 -46.99 88.41 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-O 116.528 -1.701 . . . . 73.34 114.124 -174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.01 -27.58 29.86 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 124.859 2.771 . . . . 71.41 113.702 165.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.2 tpp -70.41 -42.5 71.56 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.949 1.249 . . . . 74.24 112.059 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.21 -32.94 71.07 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.42 1.088 . . . . 74.33 111.81 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.06 95.42 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 121.226 -0.921 . . . . 74.23 111.694 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.0 m -70.5 -1.12 9.92 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.541 1.536 . . . . 75.55 114.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -47.77 7.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 119.618 -1.926 . . . . 75.43 110.1 164.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -79.53 -36.73 38.0 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.564 -1.96 . . . . 73.2 114.599 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -59.35 -38.0 79.28 Favored 'General case' 0 CA--C 1.493 -1.224 0 C-N-CA 128.006 2.522 . . . . 73.33 110.308 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.77 -7.19 57.63 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.214 -1.357 . . . . 74.41 109.255 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.13 46.04 19.69 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.205 2.602 . . . . 71.12 113.52 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.37 160.57 35.48 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 124.537 1.135 . . . . 72.35 110.56 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.0 163.73 37.89 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.582 2.188 . . . . 71.13 113.387 170.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.99 -25.84 68.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.575 2.75 . . . . 65.22 109.862 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.07 77.63 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.092 1.757 . . . . 74.32 113.14 174.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 m -83.08 -34.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 O-C-N 120.262 -1.524 . . . . 71.14 112.598 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -68.5 -31.78 71.29 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 119.835 -1.791 . . . . 71.3 111.542 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.55 -16.53 60.25 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 121.187 -0.946 . . . . 73.23 112.366 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.9 -37.71 80.2 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.362 -0.836 . . . . 71.21 112.578 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.61 -40.62 92.49 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.052 1.13 . . . . 74.52 114.052 169.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -65.36 -42.34 92.89 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 119.769 -1.832 . . . . 74.44 113.642 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -65.16 -24.99 67.55 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.127 2.171 . . . . 75.13 114.483 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.4 -40.16 74.19 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.597 2.359 . . . . 74.42 111.887 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -79.46 -10.75 59.86 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.716 0.806 . . . . 73.14 111.998 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -63.75 130.8 45.71 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 121.274 -0.891 . . . . 70.41 112.018 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.79 130.57 43.4 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.248 -1.533 . . . . 72.34 111.546 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.71 -12.2 70.38 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 121.685 -0.635 . . . . 52.03 113.832 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -86.79 135.29 33.41 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.155 1.478 . . . . 75.13 112.944 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.29 119.38 38.71 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 123.143 1.449 . . . . 73.43 109.043 167.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.0 mm -101.82 123.23 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 124.743 1.217 . . . . 75.12 108.467 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p -126.88 10.74 7.07 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.007 1.323 . . . . 71.42 110.042 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -86.12 126.94 34.57 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.319 1.048 . . . . 72.23 108.742 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.66 -34.73 71.55 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.493 1.917 . . . . 72.13 113.056 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.06 -24.03 65.02 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 117.986 2.587 . . . . 73.44 117.986 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.79 68.44 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 119.762 1.165 . . . . 73.52 109.078 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.22 99.28 Favored Glycine 0 CA--C 1.492 -1.381 0 C-N-CA 124.807 1.194 . . . . 64.22 114.648 169.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.9 -37.45 81.73 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 119.183 1.492 . . . . 73.41 111.79 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.88 -41.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 O-C-N 121.119 -0.988 . . . . 64.31 112.052 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.0 mt -59.77 -46.82 93.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 O-C-N 120.419 -1.426 . . . . 70.21 112.748 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 pp -68.4 -27.21 66.02 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 114.81 1.411 . . . . 64.41 114.81 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.58 -44.62 93.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.928 1.291 . . . . 75.52 111.994 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.92 -38.2 90.02 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 121.492 1.951 . . . . 73.43 113.274 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -57.89 -36.69 72.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 115.363 1.616 . . . . 65.45 115.363 -174.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.32 -41.75 63.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.833 0.825 . . . . 74.52 112.455 167.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.8 mttm -91.28 48.39 1.49 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.618 -1.301 . . . . 72.14 113.479 -169.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD21 HD12 ' A' ' 62' ' ' LEU . 83.9 mt -94.25 -10.63 32.3 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.714 1.721 . . . . 75.33 108.98 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.2 -32.47 73.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 128.122 2.569 . . . . 72.55 109.701 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -69.17 -28.07 66.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.224 3.01 . . . . 73.35 111.519 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD12 HD21 ' A' ' 59' ' ' LEU . 73.6 mt -71.75 158.92 35.25 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.399 2.28 . . . . 73.32 111.642 -175.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.71 148.73 28.82 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 120.832 -1.167 . . . . 53.33 110.369 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -61.25 -31.78 71.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.33 1.233 . . . . 74.23 114.33 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.19 -29.47 68.72 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.635 -1.291 . . . . 72.35 114.335 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ptp -84.55 -6.94 59.41 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.704 1.138 . . . . 74.23 112.343 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.3 m120 65.57 16.89 10.72 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.794 2.838 . . . . 74.14 116.129 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -85.26 122.76 29.91 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.953 -1.717 . . . . 72.51 110.976 -176.219 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -140.5 151.3 44.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.565 -1.642 . . . . 75.3 106.565 165.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.466 ' HE1' ' CG2' ' A' ' 143' ' ' THR . 10.9 t60 -65.47 132.85 49.97 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.168 0.987 . . . . 73.5 111.03 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.72 58.94 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.21 0.91 . . . . 74.22 114.77 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -100.92 23.64 10.38 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.228 1.411 . . . . 74.3 111.392 -167.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.95 78.84 Favored 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 125.677 1.591 . . . . 74.23 114.136 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 65.4 mtt -60.87 -39.62 89.89 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.866 0.757 . . . . 72.22 112.415 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -75.24 -44.37 46.47 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.538 0.735 . . . . 74.32 112.893 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.91 -47.78 84.37 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.074 2.149 . . . . 64.15 113.212 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.18 95.65 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 121.127 -0.983 . . . . 65.25 112.98 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.77 -36.52 84.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.189 0.996 . . . . 73.13 113.607 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -61.61 -28.46 69.38 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.825 -1.172 . . . . 73.23 112.596 172.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.59 13.74 23.19 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.739 1.616 . . . . 74.44 114.775 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.6 1.34 64.0 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.017 -1.052 . . . . 74.25 114.346 167.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.25 140.96 57.39 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.487 1.144 . . . . 64.51 111.006 163.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -82.77 171.59 13.79 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.756 -1.84 . . . . 73.03 108.396 170.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.87 -32.71 74.54 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.393 -1.442 . . . . 74.23 112.903 -171.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.8 -45.81 73.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.778 1.631 . . . . 72.42 112.249 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -64.37 -40.93 96.82 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.427 1.891 . . . . 73.41 113.377 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.97 88.09 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.919 0.866 . . . . 74.51 112.841 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -27.52 61.83 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.567 -1.333 . . . . 74.2 111.99 175.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -43.13 98.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.466 1.654 . . . . 75.22 115.466 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.28 -40.94 98.8 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.866 2.121 . . . . 74.42 112.168 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.18 -40.45 96.13 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.987 -1.071 . . . . 71.25 112.008 172.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.54 ' HA ' ' HD2' ' A' ' 95' ' ' HIS . 39.0 t70 -65.02 -40.26 94.62 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.122 1.369 . . . . 73.11 113.867 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.39 -45.84 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 120.616 -1.303 . . . . 70.54 110.469 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -66.67 -44.5 81.63 Favored 'General case' 0 CA--C 1.492 -1.259 0 C-N-CA 118.569 -1.252 . . . . 75.03 109.023 -171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 92' ' ' ASP . 2.4 p80 -64.73 -34.79 79.14 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.812 1.292 . . . . 73.0 108.382 -171.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 t -66.08 -39.76 90.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.334 -1.757 . . . . 75.03 112.248 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.452 ' HA ' HG23 ' A' ' 100' ' ' VAL . 36.1 m -69.72 -36.83 76.22 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.209 1.189 . . . . 73.03 114.209 169.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.43 -32.49 71.41 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.665 -1.272 . . . . 55.44 112.118 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -82.93 -20.08 36.01 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.617 1.167 . . . . 72.13 111.758 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 97' ' ' CYS . 30.8 m -100.85 -32.13 3.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 O-C-N 121.492 -0.755 . . . . 72.22 111.248 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -69.78 154.22 8.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 122.811 1.291 . . . . 70.42 114.36 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -66.7 126.34 28.68 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.911 -1.118 . . . . 61.12 112.093 165.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.9 mt -111.32 132.46 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 C-N-CA 129.298 3.039 . . . . 74.13 103.317 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 t -115.45 127.72 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 105.926 -1.879 . . . . 73.42 105.926 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.42 91.84 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.404 1.261 . . . . 73.34 114.404 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -64.9 -37.89 89.16 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.532 1.533 . . . . 71.14 114.309 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -128.56 92.24 41.27 Favored Pre-proline 0 C--N 1.35 0.614 0 CA-C-O 118.017 -0.992 . . . . 64.31 109.565 -163.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.87 -13.54 38.77 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.635 2.224 . . . . 75.23 112.676 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.79 -44.13 78.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.125 1.37 . . . . 70.05 110.733 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.7 95.54 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.575 1.15 . . . . 64.44 111.138 173.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 79.3 m -56.45 -46.87 80.1 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 112.658 0.614 . . . . 74.52 112.658 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -46.78 76.53 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 116.579 2.066 . . . . 74.3 116.579 171.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -45.06 87.97 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.465 -1.397 . . . . 73.43 112.875 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.23 -41.82 99.16 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.009 0.923 . . . . 73.11 109.828 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.94 -46.8 86.04 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 121.628 -0.67 . . . . 75.53 112.161 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.91 98.91 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.885 1.274 . . . . 54.44 110.414 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -73.86 -28.89 61.81 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.761 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.9 t -70.22 -46.12 65.14 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.678 -1.264 . . . . 74.34 113.422 166.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.409 ' CD1' HD12 ' A' ' 139' ' ' LEU . 72.7 t80 -55.0 -47.45 74.65 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 115.255 1.576 . . . . 74.43 115.255 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HA ' HG12 ' A' ' 123' ' ' ILE . 33.3 ttpt -61.56 -33.15 73.35 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-O 122.077 0.942 . . . . 75.53 110.951 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 122.481 1.134 . . . . 71.25 112.118 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.82 -46.15 69.37 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 125.084 1.354 . . . . 74.02 114.467 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 120' ' ' LYS . 18.6 pt -66.33 -22.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 O-C-N 119.139 -2.226 . . . . 74.55 114.29 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.77 -40.85 96.6 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.697 1.199 . . . . 65.12 111.683 169.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -72.02 -27.49 62.76 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.927 0.891 . . . . 75.21 113.218 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 mt -68.16 152.09 46.01 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 127.055 2.142 . . . . 75.22 115.389 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -87.34 1.02 54.53 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.875 1.27 . . . . 73.35 111.754 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -130.48 154.84 47.35 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 106.521 -1.659 . . . . 75.24 106.521 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.34 118.65 43.48 Favored Pre-proline 0 N--CA 1.445 -0.702 0 CA-C-O 118.551 -0.738 . . . . 74.21 111.66 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.5 153.87 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.505 2.137 . . . . 61.04 108.803 155.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -84.22 168.18 15.97 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 106.27 -1.752 . . . . 75.41 106.27 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.97 -33.36 74.15 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.235 -1.54 . . . . 71.44 112.471 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -60.4 -40.68 91.79 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.419 -0.801 . . . . 72.22 112.277 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 134' ' ' VAL . 0.7 OUTLIER -85.37 -45.26 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 126.278 1.831 . . . . 63.42 112.881 176.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.35 -47.07 85.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 121.399 -0.813 . . . . 52.14 113.007 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.25 -29.87 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 119.02 -1.072 . . . . 72.35 108.663 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.78 99.56 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 121.53 -0.731 . . . . 70.13 114.047 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -64.24 -38.27 90.43 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.583 1.191 . . . . 74.2 113.208 174.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 119' ' ' PHE . 43.9 mt -64.71 -50.45 66.9 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.438 1.095 . . . . 75.55 113.315 173.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 52.6 mt -67.81 -39.37 83.98 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.934 -1.03 . . . . 62.24 111.735 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.04 95.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 114.584 1.327 . . . . 72.12 114.584 171.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -98.15 38.29 1.34 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.607 -1.308 . . . . 72.52 112.106 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.466 ' CG2' ' HE1' ' A' ' 70' ' ' HIS . 15.2 t . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.544 -1.972 . . . . 74.14 112.916 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.414 ' H2 ' HG22 ' A' ' 4' ' ' VAL . 72.7 m . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 116.202 1.927 . . . . 75.41 116.202 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -87.28 118.07 26.46 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.707 -1.245 . . . . 74.15 110.188 -169.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 59.15 19.62 7.6 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 129.854 3.261 . . . . 71.54 114.596 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.414 HG22 ' H2 ' ' A' ' 1' ' ' SER . 83.5 t -76.11 -45.98 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 C-N-CA 125.737 1.615 . . . . 62.52 110.707 175.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.9 mmm -65.79 -41.53 91.85 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.197 -1.365 . . . . 72.41 113.587 -146.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -125.17 127.78 47.34 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 104.742 -2.318 . . . . 74.34 104.742 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.82 135.56 54.1 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 114.038 1.125 . . . . 75.04 114.038 -170.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -77.81 152.28 33.56 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.154 0.978 . . . . 73.23 112.494 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -139.04 154.32 48.21 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.453 -2.425 . . . . 73.13 104.453 168.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -125.75 -33.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 114.532 1.308 . . . . 73.03 114.532 -161.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -80.07 144.36 33.21 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 119.521 -1.987 . . . . 72.14 114.207 -165.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -62.92 -23.89 67.59 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 116.008 1.855 . . . . 75.33 116.008 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.28 -24.43 62.15 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 115.326 1.602 . . . . 71.44 115.326 172.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.1 -44.48 84.44 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-O 116.386 -1.768 . . . . 75.11 114.148 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -67.96 -27.26 36.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 CA-C-N 125.085 2.852 . . . . 72.53 113.472 168.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.9 mtp -68.81 -43.41 75.66 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.372 1.442 . . . . 75.1 112.569 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.23 -31.56 67.71 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 121.335 -0.853 . . . . 75.35 111.992 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.62 92.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.237 1.015 . . . . 73.3 112.565 173.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.0 m -75.73 -0.15 19.86 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.29 . . . . 70.12 113.239 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.77 -48.38 8.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 119.425 -2.047 . . . . 75.45 109.869 164.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -81.18 -36.14 30.53 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.071 -1.643 . . . . 74.43 114.367 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.43 -38.25 80.18 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 127.158 2.183 . . . . 73.44 110.919 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.23 -9.52 52.7 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 113.865 -1.516 . . . . 63.11 109.215 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.24 46.82 15.14 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.965 2.106 . . . . 73.11 113.226 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.27 157.07 47.99 Favored Pre-proline 0 C--N 1.347 0.461 0 C-N-CA 124.467 1.107 . . . . 72.34 108.702 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.07 167.02 27.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.423 2.082 . . . . 74.21 113.103 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.08 -24.76 67.82 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.361 2.664 . . . . 71.52 109.985 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.98 69.65 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 126.987 2.115 . . . . 75.52 113.637 175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.59 -24.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 118.642 -1.223 . . . . 73.04 111.735 -171.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -67.56 -30.45 70.08 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.158 -1.589 . . . . 64.12 110.892 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -73.66 -21.08 60.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.795 0.807 . . . . 63.03 112.176 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.18 -38.17 85.56 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.284 -0.885 . . . . 72.11 112.585 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.2 t80 -59.93 -44.24 94.45 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 114.304 1.224 . . . . 75.02 114.304 174.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 46.5 p90 -72.37 -33.91 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 116.349 1.981 . . . . 74.33 116.349 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.32 -19.98 65.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.922 1.689 . . . . 64.43 114.91 169.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -57.44 -41.14 79.88 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.135 2.174 . . . . 73.35 111.252 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -76.52 -12.93 60.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.41 1.084 . . . . 73.24 111.805 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -63.67 127.61 32.13 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 121.926 0.87 . . . . 75.23 112.517 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.79 130.51 43.02 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 120.254 -1.529 . . . . 73.32 110.901 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.03 -7.85 76.28 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 119.486 -0.619 . . . . 62.03 113.779 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -96.38 137.29 35.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.555 1.677 . . . . 72.21 112.822 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.43 125.28 53.09 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.922 1.344 . . . . 74.55 107.647 165.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.27 123.07 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 125.244 1.417 . . . . 74.35 107.483 166.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.1 p -121.27 1.61 10.24 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.98 1.312 . . . . 65.23 110.9 -172.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -90.1 132.4 35.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.052 0.941 . . . . 74.44 111.642 -165.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.26 -32.52 71.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.711 1.604 . . . . 72.2 113.9 -174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -62.18 -29.12 70.14 Favored 'General case' 0 CA--C 1.493 -1.238 0 N-CA-C 115.597 1.703 . . . . 75.34 115.597 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.08 86.58 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 118.702 0.683 . . . . 74.44 112.085 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.95 92.96 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 120.154 -1.591 . . . . 74.14 113.17 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.9 m -63.55 -41.76 98.41 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.478 1.111 . . . . 65.42 110.73 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.11 -42.32 84.93 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 121.445 -0.784 . . . . 63.44 111.831 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.3 mt -59.87 -46.2 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 O-C-N 120.701 -1.249 . . . . 73.32 112.966 -174.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.29 -29.16 68.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 113.711 1.004 . . . . 71.42 113.711 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.04 -41.68 99.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.912 1.685 . . . . 42.14 112.56 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.09 -37.28 79.48 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 121.241 1.837 . . . . 74.22 113.857 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -55.46 -38.29 68.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.043 1.497 . . . . 75.01 115.043 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.06 -38.59 79.15 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.042 0.925 . . . . 74.03 113.247 170.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.1 mttm -97.68 33.47 2.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.19 1.796 . . . . 75.33 112.743 -167.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD21 HD12 ' A' ' 62' ' ' LEU . 95.0 mt -77.98 -31.08 50.54 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 120.163 -1.586 . . . . 74.52 111.154 -177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.34 -14.96 55.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.129 1.372 . . . . 65.23 113.138 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.3 mt -76.02 -27.62 57.43 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.034 1.734 . . . . 70.2 111.716 172.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 HD12 HD21 ' A' ' 59' ' ' LEU . 62.6 mt -67.81 163.29 22.13 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.0 2.52 . . . . 75.24 112.203 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.45 122.1 15.42 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.192 -0.942 . . . . 74.32 111.769 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.164 1.386 . . . . 64.4 113.733 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -55.92 -34.91 66.03 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 125.117 1.367 . . . . 75.13 113.616 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 ptp -79.41 -15.47 57.78 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 120.695 -1.253 . . . . 73.15 111.788 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 61.23 34.35 18.76 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.289 2.636 . . . . 70.43 116.428 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.88 122.28 27.02 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.205 -1.559 . . . . 73.51 110.925 176.776 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.45 150.42 43.8 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.22 -1.03 . . . . 72.42 108.22 165.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.38 129.52 40.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 122.375 1.083 . . . . 74.43 113.437 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 -10.99 73.15 Favored Glycine 0 C--N 1.35 1.327 0 C-N-CA 125.193 1.377 . . . . 74.23 115.469 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.39 24.41 12.18 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.191 1.496 . . . . 65.34 111.759 -169.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.79 84.0 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 114.256 1.206 . . . . 50.43 114.256 -171.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.82 -40.51 93.05 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.444 1.02 . . . . 71.12 112.38 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -73.62 -44.5 56.89 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 113.297 0.851 . . . . 72.53 113.297 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.38 -46.96 88.1 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 127.081 2.152 . . . . 62.5 113.076 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.95 90.67 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.946 -1.096 . . . . 71.41 113.732 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 72.8 mtm -63.6 -35.46 80.59 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 113.986 1.106 . . . . 71.24 113.986 173.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.29 -27.3 68.38 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.797 -1.189 . . . . 74.24 112.439 172.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -95.87 14.15 24.39 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.905 1.682 . . . . 62.53 114.867 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.98 -0.12 64.17 Favored Glycine 0 C--N 1.35 1.327 0 O-C-N 121.002 -1.061 . . . . 72.43 114.004 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 140.96 58.13 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.292 1.046 . . . . 74.32 111.23 163.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -81.99 171.77 14.03 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.583 -1.948 . . . . 74.12 107.957 168.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.02 -34.23 77.54 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.504 -1.372 . . . . 72.32 112.566 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.9 83.56 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.693 1.997 . . . . 72.13 112.822 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -67.78 -38.99 84.1 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.484 1.113 . . . . 72.34 112.012 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.07 83.29 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.723 0.773 . . . . 73.32 112.691 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -69.53 -29.52 67.14 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.86 -1.15 . . . . 75.4 112.136 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.13 -43.47 98.83 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 115.451 1.649 . . . . 74.43 115.451 170.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.84 -41.37 97.84 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 121.584 1.993 . . . . 64.35 112.324 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.32 -40.37 97.13 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.976 -1.078 . . . . 73.11 111.892 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.38 -42.73 96.0 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.295 -1.503 . . . . 64.45 112.497 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.42 -45.28 93.7 Favored 'Isoleucine or valine' 0 C--N 1.362 1.133 0 C-N-CA 124.861 1.264 . . . . 75.3 109.95 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HG3' HD11 ' A' ' 115' ' ' LEU . 68.3 tttt -59.4 -51.98 67.6 Favored 'General case' 0 CA--C 1.487 -1.476 0 O-C-N 121.714 -0.616 . . . . 73.11 111.826 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.549 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 88.6 m-70 -74.94 -26.61 59.73 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 120.854 -1.154 . . . . 60.42 111.075 -175.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -67.58 -41.47 84.07 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 114.504 1.298 . . . . 72.11 114.504 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.457 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.2 m -67.28 -41.24 85.82 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 115.289 1.589 . . . . 75.34 115.289 169.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.549 ' CG ' ' HA ' ' A' ' 95' ' ' HIS . 1.3 pp20? -69.08 -17.51 63.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.366 -1.459 . . . . 64.21 113.94 -171.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -86.82 -21.43 26.45 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.417 0.687 . . . . 72.3 112.781 173.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 97' ' ' CYS . 32.6 m -97.34 -28.09 3.77 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 O-C-N 120.785 -1.197 . . . . 74.34 111.667 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -69.94 157.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 N-CA-C 115.147 1.536 . . . . 72.21 115.147 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.0 m -67.57 127.66 33.56 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.341 1.067 . . . . 64.44 112.532 164.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.8 mt -114.17 132.52 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.67 0 C-N-CA 129.782 3.233 . . . . 73.12 103.099 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 t -115.09 127.98 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 105.758 -1.941 . . . . 73.41 105.758 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.43 92.22 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 114.546 1.313 . . . . 74.23 114.546 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -65.3 -37.78 88.21 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.577 1.551 . . . . 52.01 114.623 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -125.92 96.65 37.05 Favored Pre-proline 0 C--N 1.349 0.556 0 CA-C-O 117.811 -1.09 . . . . 74.22 108.368 -163.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.56 -12.59 33.61 Favored 'Trans proline' 0 C--N 1.33 -0.443 0 CA-C-N 123.843 2.408 . . . . 71.41 112.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.6 m -74.0 -43.5 57.82 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.009 1.324 . . . . 74.32 110.458 -173.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -44.18 97.5 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.983 -1.073 . . . . 74.4 111.401 173.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.9 m -54.55 -46.98 73.74 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.61 0.764 . . . . 74.44 111.11 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.21 -47.91 63.52 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.63 -1.293 . . . . 74.33 114.227 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.38 81.57 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.489 1.515 . . . . 71.41 112.717 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.91 -41.47 97.94 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.955 0.902 . . . . 73.11 109.334 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.4 HD11 ' HG3' ' A' ' 94' ' ' LYS . 1.9 tm? -63.78 -46.22 86.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.441 -0.787 . . . . 72.24 112.934 174.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.35 98.66 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 124.651 1.18 . . . . 74.43 110.909 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 15.8 ptp -69.38 -30.91 69.0 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 118.999 -0.524 . . . . 75.12 111.118 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.0 t -71.11 -46.12 62.32 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 120.218 1.372 . . . . 73.2 113.24 168.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -54.6 -48.53 72.05 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 114.883 1.438 . . . . 75.32 114.883 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 123' ' ' ILE . 29.0 tptp -62.75 -30.61 71.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.352 1.061 . . . . 75.02 112.487 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.492 1.139 . . . . 74.02 112.397 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -68.23 -46.35 70.78 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.87 1.268 . . . . 60.55 114.139 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 120' ' ' LYS . 17.1 pt -66.74 -22.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 119.178 -2.201 . . . . 72.25 114.082 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.22 -41.44 98.39 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 124.661 1.184 . . . . 71.44 111.898 168.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.3 -25.35 57.85 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 113.282 0.845 . . . . 75.15 113.282 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.6 mt -67.04 152.57 45.54 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.305 2.242 . . . . 75.14 115.225 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.93 1.06 53.9 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.866 1.266 . . . . 74.12 111.747 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -129.24 154.87 46.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 106.616 -1.624 . . . . 73.11 106.616 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.32 118.64 39.52 Favored Pre-proline 0 N--CA 1.445 -0.709 0 CA-C-O 118.444 -0.789 . . . . 71.44 111.444 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.71 147.57 63.5 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.466 2.11 . . . . 64.52 109.165 156.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.1 t -80.43 167.31 20.34 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 109.026 -0.731 . . . . 74.24 109.026 164.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.74 -33.36 73.91 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.799 -1.188 . . . . 75.33 111.822 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -59.27 -41.48 88.98 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.59 0.756 . . . . 74.01 112.134 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.77 -44.63 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 C-N-CA 126.678 1.991 . . . . 71.32 114.492 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.69 -47.89 79.37 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.591 0.96 . . . . 75.32 113.591 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 m -79.17 -28.63 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 120.751 -1.218 . . . . 74.31 108.232 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.13 -44.14 97.64 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.105 -0.83 . . . . 61.22 114.299 -173.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.107 1.453 . . . . 72.2 113.217 175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.06 -55.29 30.54 Favored 'General case' 0 CA--C 1.478 -1.826 0 O-C-N 121.663 -0.648 . . . . 64.24 112.61 170.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 72.7 mt -67.14 -40.58 86.76 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.652 -0.704 . . . . 73.11 112.725 -176.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.61 84.42 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.505 -1.372 . . . . 73.41 113.704 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.19 0.84 55.59 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 121.309 -0.869 . . . . 73.33 111.935 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.26 1.616 0 O-C-N 120.526 -1.359 . . . . 74.25 113.025 177.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.518 2.953 0 N-CA-C 115.501 1.667 . . . . 73.21 115.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.69 -43.98 97.42 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.123 1.769 . . . . 73.33 114.027 -168.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.34 5.65 48.43 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.063 0.945 . . . . 75.13 113.338 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.61 -62.34 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 122.939 1.352 . . . . 74.54 108.117 -170.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.8 mtp 51.05 42.74 28.9 Favored 'General case' 0 N--CA 1.43 -1.446 1 C-N-CA 131.868 4.067 . . . . 75.42 115.66 -174.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -104.54 172.26 6.89 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.598 1.666 . . . . 74.14 113.995 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.93 157.08 46.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 112.949 -1.932 . . . . 73.33 107.429 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.49 160.43 43.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 107.848 -1.167 . . . . 73.32 107.848 -175.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.2 p -85.17 164.48 18.09 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 122.019 0.914 . . . . 63.52 112.412 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.7 pt -97.69 -0.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 113.884 1.068 . . . . 75.21 113.884 -169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -148.01 -178.99 6.59 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.396 -1.44 . . . . 73.12 111.411 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -85.59 -3.26 58.82 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 125.91 1.684 . . . . 75.42 115.511 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.79 77.98 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 117.555 2.428 . . . . 73.43 117.555 -171.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -63.0 -45.96 86.91 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-O 116.58 -1.676 . . . . 73.51 114.348 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.61 -27.72 32.22 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 CA-C-N 124.768 2.739 . . . . 74.53 113.614 166.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.1 tpt -71.04 -42.63 69.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.592 1.087 . . . . 71.41 111.494 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.91 -32.36 69.28 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.587 1.155 . . . . 71.11 112.018 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.71 96.42 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.152 0.981 . . . . 74.11 113.027 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.7 m -60.37 -44.64 95.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.384 -0.822 . . . . 73.54 110.377 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.41 -43.28 93.05 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.908 -1.745 . . . . 74.2 111.756 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.56 -40.46 42.33 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.849 1.426 . . . . 74.31 114.849 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.76 -39.47 88.88 Favored 'General case' 0 CA--C 1.486 -1.505 0 C-N-CA 126.705 2.002 . . . . 63.03 110.574 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.5 mt -82.87 -7.44 59.66 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.816 -1.084 . . . . 71.52 110.393 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 57.1 45.28 21.1 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.545 2.338 . . . . 73.35 113.362 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.57 158.0 46.29 Favored Pre-proline 0 C--N 1.351 0.638 0 C-N-CA 124.059 0.944 . . . . 73.1 109.497 -173.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.96 166.06 30.02 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.264 1.976 . . . . 74.44 113.443 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.06 -26.43 68.55 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 128.316 2.646 . . . . 74.51 109.93 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.89 72.13 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.279 1.832 . . . . 72.24 113.837 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.5 m -99.57 -22.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 O-C-N 120.196 -1.565 . . . . 72.12 111.974 -172.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.86 -31.91 72.06 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 120.094 -1.629 . . . . 75.21 111.089 169.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -76.21 -16.83 59.76 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.069 -1.019 . . . . 74.41 112.711 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.74 -38.0 80.52 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.316 -0.865 . . . . 74.25 112.641 169.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.28 -41.58 93.65 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.502 1.297 . . . . 75.52 114.502 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -66.48 -41.46 88.94 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 119.916 -1.74 . . . . 74.41 113.364 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -65.15 -25.5 67.77 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.985 1.714 . . . . 75.41 114.334 171.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.29 -40.08 77.07 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.789 2.035 . . . . 75.24 111.845 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.22 -9.44 59.57 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.466 0.706 . . . . 74.32 112.805 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.19 133.36 54.18 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 121.269 -0.895 . . . . 74.22 109.791 171.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.84 118.09 9.17 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.262 -1.524 . . . . 64.44 113.194 -163.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 -2.54 81.29 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 124.596 1.093 . . . . 62.24 115.228 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -69.03 135.42 50.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.36 1.58 . . . . 72.0 113.26 -168.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -88.74 78.74 7.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 120.754 -1.216 . . . . 74.54 113.96 -164.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -88.92 119.11 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.967 0.889 . . . . 72.5 109.678 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p -121.85 -2.93 9.21 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 125.051 1.34 . . . . 64.51 111.345 -175.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -85.55 131.65 34.32 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 124.149 0.98 . . . . 71.4 112.324 -160.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -59.29 -32.86 70.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 126.889 2.076 . . . . 71.43 113.131 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -63.07 -31.48 72.62 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 116.185 1.92 . . . . 74.32 116.185 170.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.35 90.25 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.762 0.71 . . . . 65.13 111.072 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -38.38 95.52 Favored Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.33 -1.481 . . . . 62.55 113.106 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.51 -41.44 98.53 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.702 0.801 . . . . 62.14 110.86 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -68.27 -41.89 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 O-C-N 121.281 -0.887 . . . . 75.33 112.046 172.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.03 -45.84 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 O-C-N 120.818 -1.177 . . . . 72.14 111.94 -173.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 pp -68.39 -27.91 66.64 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 114.399 1.259 . . . . 73.35 114.399 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.31 -43.16 99.48 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.637 1.575 . . . . 63.53 112.171 174.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.08 -36.84 80.72 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 120.894 1.679 . . . . 74.11 113.433 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -55.16 -38.91 68.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.487 1.515 . . . . 63.25 114.878 -175.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.32 -36.6 71.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 122.223 1.011 . . . . 73.41 112.641 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.0 mttm -97.57 32.86 2.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.883 1.673 . . . . 73.34 112.631 -167.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 62' ' ' LEU . 95.0 mt -79.52 -28.63 41.33 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 119.966 -1.709 . . . . 74.3 110.87 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.88 -14.92 57.26 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.997 1.319 . . . . 71.44 112.851 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -74.71 -27.15 60.26 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.297 1.839 . . . . 65.01 111.645 172.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 59' ' ' LEU . 55.1 mt -69.86 164.55 23.49 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 127.854 2.462 . . . . 71.04 110.941 -174.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -66.2 135.17 54.13 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.722 -1.236 . . . . 72.23 110.255 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.13 -27.77 68.63 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.18 -0.95 . . . . 74.31 112.89 173.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.79 -34.05 72.51 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.561 -1.337 . . . . 75.2 113.39 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.5 ptm -81.71 -11.28 59.11 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.955 -1.09 . . . . 73.54 112.213 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 60.8 29.83 19.27 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.172 2.589 . . . . 71.21 116.322 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.461 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.99 121.9 27.11 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.19 -1.569 . . . . 75.22 110.926 175.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -139.41 153.12 47.55 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.284 -1.006 . . . . 72.45 108.284 164.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.34 128.06 34.69 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.473 1.13 . . . . 64.11 113.039 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.33 -10.7 72.88 Favored Glycine 0 C--N 1.347 1.185 0 C-N-CA 125.301 1.429 . . . . 52.2 115.175 -174.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.68 26.67 9.69 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.045 1.423 . . . . 72.25 112.029 -167.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.24 85.75 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.572 1.323 . . . . 74.52 114.572 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mtm -61.15 -39.79 91.4 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.236 0.926 . . . . 73.24 112.735 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -72.9 -44.69 60.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 121.749 0.785 . . . . 74.12 113.064 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.91 -46.6 89.98 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 127.399 2.279 . . . . 71.12 113.321 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.71 99.35 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 120.212 -1.555 . . . . 73.35 112.92 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -37.91 89.09 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 114.81 1.411 . . . . 75.41 114.81 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.277 48.8 tptt -59.98 -34.44 73.3 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 125.892 1.677 . . . . 75.11 113.373 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -89.29 13.86 12.44 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.555 1.542 . . . . 74.13 115.043 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.2 0.54 61.49 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.997 -1.064 . . . . 72.34 114.113 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.39 49.05 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 118.295 1.047 . . . . 70.23 110.438 163.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -84.7 -177.68 6.66 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.721 -2.487 . . . . 74.2 110.875 161.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.16 -24.69 67.77 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.933 -1.03 . . . . 71.23 111.018 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.68 -43.79 30.06 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.456 1.122 . . . . 44.51 112.312 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 mtt -66.94 -39.65 87.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.727 1.611 . . . . 74.24 112.566 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.39 80.27 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.78 0.8 . . . . 70.43 113.03 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -31.08 70.83 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.138 -0.976 . . . . 72.1 111.759 174.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.35 -44.66 96.81 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 115.803 1.779 . . . . 71.5 115.803 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.1 mt -64.26 -41.15 97.08 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 121.884 2.129 . . . . 74.34 112.396 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.73 -39.96 95.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.927 -1.108 . . . . 75.2 111.876 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.33 -42.83 96.1 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.338 -1.476 . . . . 73.31 112.72 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.53 -45.28 94.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 C-N-CA 124.133 0.973 . . . . 73.54 110.09 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -59.39 -53.86 53.31 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 121.754 -0.591 . . . . 71.4 111.514 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -71.71 -27.63 63.15 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.127 -0.983 . . . . 72.35 110.254 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -66.14 -41.15 90.84 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 122.631 1.205 . . . . 73.05 112.667 172.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.449 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.9 m -67.76 -35.37 78.58 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.093 1.145 . . . . 73.45 114.093 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.12 -29.22 68.48 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.025 1.33 . . . . 72.14 113.051 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -87.07 -19.31 28.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 112.22 0.452 . . . . 74.52 112.22 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 97' ' ' CYS . 30.5 m -100.8 -30.9 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 121.34 -0.85 . . . . 65.43 111.173 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.29 155.57 7.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-O 122.785 1.279 . . . . 74.51 114.441 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 m -69.03 126.78 30.9 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.979 -1.076 . . . . 74.11 111.98 164.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.7 mt -110.0 132.22 58.85 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.666 0 C-N-CA 129.396 3.079 . . . . 71.43 103.253 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.5 t -112.88 128.51 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 N-CA-C 105.641 -1.985 . . . . 63.43 105.641 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.67 91.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.601 1.334 . . . . 55.1 114.601 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.4 -37.48 87.09 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 125.404 1.482 . . . . 65.13 114.733 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -128.5 92.1 41.84 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-O 118.365 -0.826 . . . . 74.21 109.032 -162.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -69.25 -13.69 36.39 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 122.735 2.29 . . . . 75.21 112.545 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -69.9 -43.43 71.78 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.819 1.248 . . . . 73.24 110.622 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -44.96 96.18 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.127 0.971 . . . . 74.02 110.929 172.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.6 m -55.92 -46.58 78.4 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 111.976 0.361 . . . . 74.11 111.976 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.6 tpt -66.58 -48.04 70.85 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.597 -1.315 . . . . 74.1 113.818 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -44.68 82.65 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.189 1.395 . . . . 71.12 112.806 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.45 -41.51 98.8 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.177 0.991 . . . . 75.11 109.442 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.98 -46.99 85.07 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 121.489 -0.757 . . . . 73.02 112.363 174.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.23 98.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.953 1.301 . . . . 75.54 111.146 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -71.5 -29.35 64.7 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 119.188 -0.434 . . . . 74.35 110.982 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -70.22 -46.44 64.5 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 119.921 1.237 . . . . 63.23 113.489 167.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.17 -47.12 75.63 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 114.877 1.436 . . . . 72.32 114.877 174.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 123' ' ' ILE . 76.2 tttt -61.68 -34.23 75.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.429 1.092 . . . . 75.15 111.163 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.53 99.02 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.531 1.158 . . . . 74.12 112.014 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.93 -46.66 70.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 115.144 1.535 . . . . 74.42 115.144 173.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' A' ' 120' ' ' LYS . 16.5 pt -66.48 -22.16 29.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 119.034 -2.291 . . . . 74.12 114.435 174.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.58 -40.63 95.46 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.966 1.306 . . . . 74.32 111.771 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -74.47 -25.3 59.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.911 0.884 . . . . 74.44 113.036 -173.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.1 mt -69.1 152.92 44.57 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.225 2.21 . . . . 73.31 115.282 -172.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.16 1.66 52.35 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.809 1.244 . . . . 62.12 111.363 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -131.18 155.29 47.29 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 106.763 -1.569 . . . . 74.4 106.763 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.91 118.93 41.96 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-O 118.576 -0.726 . . . . 70.34 111.034 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.68 152.32 69.68 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.436 2.091 . . . . 73.34 108.711 155.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 28.6 p -83.32 167.97 17.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 106.193 -1.781 . . . . 72.24 106.193 171.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -32.34 72.76 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.34 -1.475 . . . . 75.33 112.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.17 -40.03 88.52 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.621 0.768 . . . . 75.25 112.537 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.409 ' H ' HG12 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -88.57 -44.41 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.421 1.888 . . . . 72.34 112.084 178.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.29 79.9 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 113.479 0.918 . . . . 75.3 113.479 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.42 -27.43 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 C-N-CA 118.677 -1.209 . . . . 75.42 108.232 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.75 -43.04 99.54 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.088 -0.84 . . . . 60.33 114.114 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.52 -36.75 85.2 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.297 1.548 . . . . 74.25 113.699 174.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.03 -55.09 32.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 121.404 -0.81 . . . . 75.31 112.508 171.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 67.1 mt -67.42 -38.08 84.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.605 -0.725 . . . . 74.25 112.498 -175.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.82 96.14 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.1 1.148 . . . . 73.24 114.1 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.9 -32.81 65.6 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 121.167 -0.958 . . . . 63.13 111.612 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.259 1.59 0 N-CA-C 115.101 1.519 . . . . 73.5 115.101 -178.025 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.518 2.952 0 N-CA-C 115.672 1.73 . . . . 74.53 115.672 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -79.9 116.96 20.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.93 -1.106 . . . . 73.22 109.939 -166.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.52 29.19 3.84 Favored 'General case' 0 C--N 1.353 0.748 1 C-N-CA 132.25 4.22 . . . . 64.15 113.826 -168.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -98.35 -46.69 12.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 121.931 0.872 . . . . 75.54 109.296 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.6 ptp -70.01 -30.4 67.7 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 114.537 1.31 . . . . 74.21 114.537 -148.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.8 115.09 27.6 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.143 -1.058 . . . . 75.34 108.143 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -125.94 -27.95 3.25 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 114.325 1.232 . . . . 74.12 114.325 -171.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 tpt -115.01 132.2 56.68 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.043 -1.036 . . . . 74.4 108.394 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -87.69 161.98 17.34 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 121.958 0.885 . . . . 74.33 111.353 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.64 131.59 57.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 105.705 -1.961 . . . . 74.41 105.705 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -144.44 -174.17 4.24 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.102 -0.999 . . . . 73.31 109.59 -170.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -63.92 -21.0 66.27 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.611 1.708 . . . . 74.12 115.611 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.55 76.15 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 115.09 1.515 . . . . 75.51 115.09 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.28 -47.5 70.57 Favored Pre-proline 0 C--N 1.352 0.715 0 CA-C-O 117.061 -1.447 . . . . 72.34 113.085 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.7 -28.53 37.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 CA-C-N 124.221 2.543 . . . . 72.42 114.794 164.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -68.04 -42.59 80.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.847 1.658 . . . . 72.04 112.373 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.78 -30.45 65.57 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 120.667 -1.271 . . . . 74.43 111.978 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.76 99.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 113.323 0.86 . . . . 73.02 113.323 168.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 98.3 m -60.2 -43.57 95.83 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.958 -1.089 . . . . 62.11 110.309 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -43.57 89.92 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.726 -1.859 . . . . 74.53 112.246 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -77.56 -40.69 41.54 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 115.001 1.482 . . . . 74.5 115.001 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -60.28 -39.31 86.41 Favored 'General case' 0 CA--C 1.49 -1.352 0 C-N-CA 127.048 2.139 . . . . 73.41 110.452 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -86.02 -7.06 58.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.98 -1.009 . . . . 73.31 110.516 -177.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m120 56.52 46.21 20.98 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.002 2.121 . . . . 73.35 113.72 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.53 158.5 43.17 Favored Pre-proline 0 C--N 1.35 0.614 0 C-N-CA 124.659 1.184 . . . . 72.03 108.921 -174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.31 164.63 35.04 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.411 2.074 . . . . 74.43 113.527 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.11 -30.95 71.37 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 129.001 2.921 . . . . 73.32 109.249 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.25 71.44 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 127.498 2.319 . . . . 64.12 114.265 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -98.13 -24.67 4.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.163 -1.586 . . . . 65.21 112.261 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -32.99 73.95 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.171 -1.581 . . . . 75.31 110.369 170.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.1 pp0? -72.95 -19.61 61.21 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-O 121.96 0.886 . . . . 71.21 112.451 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.35 -38.29 88.94 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 113.951 1.093 . . . . 71.34 113.951 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.457 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.5 t80 -60.62 -46.04 91.77 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.087 1.143 . . . . 75.52 114.087 175.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.7 p90 -72.36 -32.66 66.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 115.271 1.582 . . . . 74.34 115.271 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.95 -14.62 60.58 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.935 1.457 . . . . 71.34 114.935 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.33 -41.01 83.64 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 125.431 1.492 . . . . 73.12 109.688 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -68.01 -21.22 65.05 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.7 1.6 . . . . 72.23 112.747 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -61.35 127.03 29.5 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.801 0.841 . . . . 74.23 110.996 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -67.71 123.57 20.88 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.512 -1.368 . . . . 72.43 112.383 -169.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.33 -5.24 84.98 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 119.344 -0.698 . . . . 61.41 114.448 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -83.54 132.86 34.9 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.714 1.757 . . . . 74.23 110.997 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -95.07 116.39 28.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 123.36 1.552 . . . . 75.54 110.397 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.48 119.34 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 124.154 0.982 . . . . 72.3 109.726 166.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -129.9 3.72 4.9 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 124.641 1.177 . . . . 62.43 111.093 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.34 133.83 33.98 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 121.341 -0.849 . . . . 72.34 111.821 -163.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.73 -33.47 71.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.278 1.831 . . . . 73.14 113.221 -173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.88 -29.04 70.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 116.541 2.052 . . . . 72.02 116.541 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.7 -42.29 83.42 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 118.947 0.794 . . . . 63.33 111.674 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.37 94.22 Favored Glycine 0 CA--C 1.494 -1.279 0 O-C-N 120.095 -1.628 . . . . 61.41 113.108 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.75 -42.18 97.89 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.814 1.246 . . . . 75.44 110.733 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.54 -42.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 121.343 -0.848 . . . . 75.11 111.654 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.457 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.5 mt -59.29 -45.59 93.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 O-C-N 120.271 -1.518 . . . . 71.43 113.094 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.94 -28.49 68.33 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 114.135 1.161 . . . . 73.33 114.135 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.27 1.428 . . . . 63.45 112.625 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.85 -36.72 79.86 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-N 121.031 1.742 . . . . 75.35 113.584 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -56.67 -38.3 72.02 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 115.353 1.612 . . . . 74.14 115.353 -175.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.91 -41.06 71.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 122.071 0.939 . . . . 74.14 112.913 168.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 96.8 mttt -91.72 45.19 1.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.559 -1.338 . . . . 75.3 113.453 -168.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 HD12 ' A' ' 62' ' ' LEU . 85.9 mt -91.47 -22.29 20.48 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 123.241 1.496 . . . . 73.24 109.722 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -16.75 63.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.978 1.311 . . . . 73.14 112.035 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -70.89 -27.94 64.18 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.753 2.021 . . . . 73.31 111.892 171.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD12 HD21 ' A' ' 59' ' ' LEU . 52.0 mt -75.39 160.7 29.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.334 2.254 . . . . 73.51 110.856 -172.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.66 144.05 34.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.815 -1.178 . . . . 61.45 109.915 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.07 -28.27 68.95 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.173 1.175 . . . . 74.13 114.173 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.2 -35.65 71.94 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.479 -1.388 . . . . 74.41 113.514 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.43 -17.37 56.47 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.777 -1.202 . . . . 75.14 112.747 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 65.94 24.37 11.17 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.453 2.701 . . . . 74.42 117.359 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.12 122.27 27.15 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.888 -1.758 . . . . 74.43 110.65 176.57 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -138.5 146.15 41.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.337 -1.357 . . . . 75.3 107.337 165.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -65.64 130.78 44.5 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.342 1.057 . . . . 73.33 111.006 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.86 -12.05 68.61 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 124.206 0.908 . . . . 55.14 114.955 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -102.15 22.36 13.35 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.694 1.247 . . . . 70.4 111.454 -171.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -42.96 80.72 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 124.78 1.232 . . . . 73.05 114.293 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.7 mtp -60.96 -37.83 83.79 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.042 -1.036 . . . . 73.14 112.638 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.2 -45.34 26.91 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.363 0.875 . . . . 63.33 113.363 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -60.53 -44.36 96.16 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.771 2.029 . . . . 74.43 113.736 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.05 -41.62 83.68 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.066 0.946 . . . . 75.32 112.563 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.91 -37.45 87.45 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.739 1.216 . . . . 72.44 113.895 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.74 -26.51 68.11 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.94 -1.1 . . . . 74.22 112.55 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -96.63 14.27 25.43 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 125.476 1.511 . . . . 71.41 114.757 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 0.91 64.13 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 120.959 -1.088 . . . . 64.4 114.411 166.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.23 141.94 57.1 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 118.573 1.186 . . . . 73.24 110.886 162.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -82.9 172.74 12.49 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 119.429 -2.044 . . . . 72.34 108.641 170.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.69 -31.82 73.21 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.413 -1.43 . . . . 74.2 112.857 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.27 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.443 1.497 . . . . 74.43 112.455 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.15 -40.48 96.23 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.051 2.14 . . . . 72.32 113.078 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.07 89.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.604 1.162 . . . . 74.24 112.855 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -76.59 -26.88 55.51 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.502 0.721 . . . . 74.22 112.367 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -60.13 -42.26 94.44 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.029 1.492 . . . . 75.22 115.029 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.64 -41.22 98.91 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 121.307 1.867 . . . . 75.45 112.544 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.93 -40.68 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.107 -0.996 . . . . 72.51 111.757 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.54 -42.59 95.64 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.312 1.445 . . . . 73.22 112.655 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.47 -44.65 93.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.107 0 C-N-CA 124.6 1.16 . . . . 75.14 110.115 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -57.53 -57.77 11.22 Favored 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 122.007 -0.433 . . . . 74.2 111.915 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HA ' ' HG3' ' A' ' 98' ' ' GLU . 91.6 m-70 -68.15 -29.71 68.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 O-C-N 121.348 -0.845 . . . . 72.43 111.116 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.7 t -66.19 -43.55 86.49 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 122.482 1.134 . . . . 61.14 111.914 172.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.432 ' HA ' HG23 ' A' ' 100' ' ' VAL . 7.8 m -66.09 -29.95 70.38 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 115.18 1.548 . . . . 62.2 115.18 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' HG3' ' HA ' ' A' ' 95' ' ' HIS . 41.6 mt-10 -61.5 -28.93 69.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.814 1.246 . . . . 74.12 111.015 -177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -74.56 -42.16 59.29 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 127.06 2.144 . . . . 74.31 109.514 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 97' ' ' CYS . 23.0 m -86.84 -32.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 123.134 0.574 . . . . 74.4 111.737 -168.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.7 157.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-O 122.833 1.302 . . . . 74.0 114.162 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 m -68.89 125.8 27.76 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.845 -1.159 . . . . 74.12 112.14 164.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.1 mt -107.82 132.12 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 129.169 2.988 . . . . 63.22 103.398 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.2 t -113.26 128.42 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.966 -1.864 . . . . 72.4 105.966 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.49 89.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.267 1.21 . . . . 75.13 114.267 171.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.36 -38.49 91.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 125.499 1.52 . . . . 74.12 114.292 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -128.63 98.62 24.76 Favored Pre-proline 0 N--CA 1.445 -0.686 0 CA-C-O 117.762 -1.114 . . . . 63.24 109.33 -162.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.5 -13.31 37.13 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 123.838 2.406 . . . . 74.45 112.873 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.86 -44.5 63.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.696 1.199 . . . . 61.11 111.046 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -44.83 96.62 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 120.91 -1.119 . . . . 74.14 111.817 172.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.2 m -55.06 -47.39 74.91 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.924 0.89 . . . . 73.04 110.952 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.8 tpt -69.51 -47.51 63.55 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.567 -1.333 . . . . 74.4 114.411 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.91 83.68 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.733 1.213 . . . . 74.41 112.478 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.1 -41.01 97.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 123.948 0.899 . . . . 74.24 109.432 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.95 -47.17 84.35 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 121.392 -0.817 . . . . 64.55 112.616 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.92 98.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.167 0.987 . . . . 74.13 111.014 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.18 -29.79 66.75 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 118.951 -0.547 . . . . 73.43 111.908 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.3 t -68.79 -46.49 68.57 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 120.635 1.561 . . . . 74.13 113.897 167.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.09 -48.08 74.04 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 114.689 1.366 . . . . 73.35 114.689 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 123' ' ' ILE . 28.9 mmmt -64.0 -28.11 69.58 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.659 0.784 . . . . 75.32 112.232 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.0 95.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-O 122.282 1.039 . . . . 65.12 112.222 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.57 -45.97 74.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.658 1.355 . . . . 63.11 114.658 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 120' ' ' LYS . 19.1 pt -66.73 -22.13 29.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 119.347 -2.096 . . . . 74.3 114.742 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.67 -40.49 95.11 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 124.668 1.187 . . . . 73.25 111.585 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -72.08 -27.07 62.43 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.273 1.029 . . . . 75.42 113.363 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -68.57 153.18 44.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.263 2.225 . . . . 72.24 115.228 -173.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.94 -0.77 55.36 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.811 1.244 . . . . 71.02 111.826 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -129.66 153.68 47.88 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 106.306 -1.738 . . . . 73.45 106.306 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.08 118.18 40.59 Favored Pre-proline 0 N--CA 1.444 -0.73 0 CA-C-O 118.481 -0.771 . . . . 65.33 111.242 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.0 154.02 63.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.387 2.058 . . . . 71.42 109.846 158.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -85.68 170.46 12.49 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 106.981 -1.488 . . . . 74.42 106.981 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.28 -32.73 72.56 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.274 -1.516 . . . . 73.41 112.483 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.19 -37.07 79.12 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.614 1.166 . . . . 72.04 112.297 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.05 -44.87 13.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.124 2.169 . . . . 70.35 111.138 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.2 81.08 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.426 -1.421 . . . . 74.42 114.207 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.38 -28.21 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 120.315 -1.491 . . . . 75.24 108.896 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.14 96.97 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 119.394 -0.67 . . . . 74.2 114.526 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.53 68.65 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 119.411 1.606 . . . . 72.04 113.219 178.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.18 -59.95 4.07 Favored 'General case' 0 CA--C 1.474 -1.975 0 C-N-CA 123.612 0.765 . . . . 75.42 111.124 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 74.0 mt -65.83 -37.17 85.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.938 0.718 . . . . 75.35 112.938 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.77 92.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.833 1.42 . . . . 75.23 114.833 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -80.06 -30.3 39.35 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.588 -1.32 . . . . 60.32 110.893 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 75.3 m . . . . . 0 C--O 1.259 1.57 0 N-CA-C 115.864 1.802 . . . . 70.24 115.864 -175.828 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.519 2.978 0 N-CA-C 115.275 1.583 . . . . 72.15 115.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -63.96 -34.57 78.28 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.473 -1.392 . . . . 65.33 114.281 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -86.02 0.81 52.43 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 114.299 1.222 . . . . 75.02 114.299 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.04 -49.89 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 124.329 1.052 . . . . 70.01 109.332 -175.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 114.737 1.384 . . . . 74.44 114.737 -150.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -127.51 163.13 24.8 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-O 123.827 1.775 . . . . 74.22 114.836 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.71 -37.15 86.6 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 112.093 -2.321 . . . . 71.13 114.375 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtm -132.2 141.56 49.12 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 106.516 -1.661 . . . . 71.12 106.516 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p -95.62 -26.51 15.72 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.264 0.626 . . . . 74.15 112.334 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.67 121.19 66.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.752 0.821 . . . . 63.52 108.847 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -134.37 143.29 47.55 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.114 -1.439 . . . . 64.15 107.114 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -82.29 -13.16 57.42 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.299 1.04 . . . . 75.41 113.581 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.45 -23.36 53.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 117.216 2.302 . . . . 73.2 117.216 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.85 -46.03 99.57 Favored Pre-proline 0 C--N 1.351 0.653 0 CA-C-O 116.264 -1.827 . . . . 75.13 115.007 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.95 -25.88 38.15 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 CA-C-N 125.102 2.858 . . . . 71.31 114.52 168.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.6 mtt -75.45 -43.02 51.81 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.048 1.295 . . . . 74.52 112.39 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -32.56 66.46 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 121.286 -0.883 . . . . 62.23 111.458 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.45 94.23 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.565 -0.709 . . . . 74.32 112.689 169.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.5 t -61.39 -46.3 90.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.224 -1.028 . . . . 63.5 108.224 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -59.13 -43.18 91.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.064 -1.647 . . . . 74.03 112.229 -172.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -76.65 -39.85 51.01 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.289 1.218 . . . . 65.42 114.289 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.77 -38.94 86.97 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 126.7 2.0 . . . . 72.45 110.345 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 15.0 mt -83.32 -7.74 59.54 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.059 -0.973 . . . . 74.34 110.068 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.99 45.44 21.18 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.722 2.409 . . . . 74.42 113.385 -174.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.65 158.07 46.26 Favored Pre-proline 0 C--N 1.349 0.586 0 C-N-CA 124.115 0.966 . . . . 73.53 109.399 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.71 165.84 30.65 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.328 2.019 . . . . 74.15 113.35 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 128.231 2.612 . . . . 71.21 110.092 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.15 70.36 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.441 1.896 . . . . 74.41 113.734 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 m -101.56 -21.99 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 O-C-N 120.28 -1.513 . . . . 75.4 112.163 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.87 -32.48 73.02 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.159 -1.588 . . . . 75.34 110.805 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -75.92 -16.16 60.07 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.968 -1.083 . . . . 74.01 112.574 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.41 -38.17 79.92 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.234 -0.916 . . . . 74.32 112.619 168.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.83 -40.6 93.39 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.605 1.335 . . . . 73.41 114.605 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -63.58 -44.41 94.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.078 -1.639 . . . . 73.02 113.139 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -65.76 -24.12 66.88 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 127.174 2.19 . . . . 72.02 114.618 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.93 2.092 . . . . 74.15 111.817 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -81.42 -7.45 59.58 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.549 0.74 . . . . 74.43 111.969 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -64.02 134.26 54.67 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.143 -0.973 . . . . 73.43 111.844 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.91 125.34 24.1 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 120.391 -1.443 . . . . 74.52 112.435 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.47 -0.66 87.56 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 115.1 0.8 . . . . 74.55 115.1 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -89.0 132.6 34.66 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.454 1.627 . . . . 75.53 110.688 -171.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -94.56 117.14 29.67 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 123.319 1.533 . . . . 75.52 110.45 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.3 mm -105.35 122.64 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 124.459 1.104 . . . . 73.11 109.323 164.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -126.47 5.66 6.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.336 1.054 . . . . 65.43 110.707 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -91.77 130.58 37.53 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.864 0.866 . . . . 73.14 111.541 -167.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.2 -32.33 71.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.053 1.741 . . . . 74.14 113.763 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -62.34 -31.98 72.69 Favored 'General case' 0 CA--C 1.491 -1.318 0 N-CA-C 115.723 1.749 . . . . 75.33 115.723 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -41.22 86.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 121.798 0.809 . . . . 73.53 110.759 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.47 99.14 Favored Glycine 0 CA--C 1.49 -1.499 0 O-C-N 121.075 -1.015 . . . . 64.35 114.016 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 91.8 m -63.84 -41.49 97.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.537 1.135 . . . . 73.2 111.3 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.16 -39.33 81.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.986 -1.071 . . . . 74.13 112.281 172.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.44 -46.32 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 O-C-N 119.7 -1.875 . . . . 75.0 113.07 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.59 -29.09 68.35 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.447 1.647 . . . . 73.44 115.447 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.56 -41.29 93.14 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 127.846 2.458 . . . . 74.52 113.788 172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.65 -38.39 84.68 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 118.549 -2.595 . . . . 73.54 112.996 171.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.38 -35.49 67.77 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.544 1.538 . . . . 70.43 114.995 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -81.01 -24.21 38.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.586 -0.696 . . . . 74.23 112.479 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.7 mttm -103.65 34.57 2.93 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.82 2.048 . . . . 74.44 113.337 -172.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.508 HD21 HD12 ' A' ' 62' ' ' LEU . 88.5 mt -82.78 -17.36 44.4 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 119.649 -1.907 . . . . 74.41 110.668 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.4 -29.37 70.44 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 127.35 2.26 . . . . 73.13 110.854 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -69.84 -28.32 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 128.367 2.667 . . . . 73.45 111.183 179.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD12 HD21 ' A' ' 59' ' ' LEU . 63.5 mt -73.22 160.86 31.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.906 2.082 . . . . 74.13 110.429 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.67 142.88 44.45 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 120.48 -1.387 . . . . 72.44 113.389 -174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.84 -29.23 70.44 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.793 -1.192 . . . . 62.51 113.961 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.68 -37.13 72.9 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.496 -1.378 . . . . 74.12 113.565 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -79.23 -10.82 59.91 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.704 -1.248 . . . . 74.21 112.573 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 62.5 26.56 15.8 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 127.987 2.515 . . . . 75.42 116.751 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -79.98 120.55 24.32 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 120.038 -1.664 . . . . 72.34 111.208 177.348 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -134.27 147.76 50.69 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 105.851 -1.907 . . . . 72.22 105.851 166.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.488 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.1 t60 -66.15 129.19 38.96 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.161 0.984 . . . . 74.42 110.892 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.12 -9.23 78.23 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.915 1.245 . . . . 61.34 115.617 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -109.18 27.97 8.98 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.973 1.386 . . . . 75.22 109.956 -169.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.63 83.73 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 114.595 1.332 . . . . 75.21 114.595 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.624 1.102 . . . . 74.53 112.901 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -71.25 -44.75 64.7 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.292 0.637 . . . . 74.34 112.356 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.7 -48.9 79.74 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.44 1.896 . . . . 74.15 113.0 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.89 96.02 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.931 0.892 . . . . 73.1 113.221 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.9 mtm -63.55 -37.46 87.39 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.879 1.066 . . . . 75.31 113.879 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.23 -24.49 67.89 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 120.493 -1.38 . . . . 74.43 113.249 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.89 13.67 21.91 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.574 1.55 . . . . 73.43 114.558 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.7 0.69 64.21 Favored Glycine 0 C--N 1.351 1.397 0 O-C-N 121.02 -1.05 . . . . 74.21 114.255 167.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.9 56.85 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.32 1.06 . . . . 75.21 111.18 164.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -81.42 170.41 16.0 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.611 -1.931 . . . . 73.44 108.17 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.62 -34.32 77.99 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.552 -1.342 . . . . 74.34 112.662 -173.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.46 84.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.423 1.889 . . . . 72.44 112.521 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -67.97 -39.18 83.39 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.902 1.281 . . . . 70.0 112.416 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.73 84.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 73.14 112.719 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.42 -28.99 65.48 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.843 -1.161 . . . . 74.24 112.005 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.55 -42.47 96.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.039 1.496 . . . . 74.44 115.039 171.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.22 -41.83 99.18 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.438 1.926 . . . . 73.53 112.659 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.25 -39.59 94.27 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.193 -0.942 . . . . 74.32 111.648 172.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.657 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.8 t70 -66.54 -41.35 88.87 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.284 1.434 . . . . 73.21 114.774 176.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.06 -44.91 92.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 124.372 1.069 . . . . 71.44 109.295 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.38 -50.84 72.21 Favored 'General case' 0 CA--C 1.494 -1.188 0 C-N-CA 123.263 0.625 . . . . 75.4 110.986 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.657 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.8 p80 -75.15 -27.94 59.93 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 117.741 -1.583 . . . . 71.51 109.469 -169.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.46 -43.98 88.62 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.672 -1.604 . . . . 74.41 111.42 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.462 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.6 m -66.31 -32.91 74.6 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.046 1.338 . . . . 73.52 114.317 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.54 -25.05 67.04 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.725 1.21 . . . . 74.02 112.346 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.04 -40.24 60.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.056 1.742 . . . . 70.34 109.956 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 97' ' ' CYS . 24.7 m -95.7 -29.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 C-N-CA 123.566 0.746 . . . . 60.32 111.356 -165.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.42 155.21 7.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 122.658 1.218 . . . . 74.23 113.38 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.2 m -67.55 121.86 16.76 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.83 -1.169 . . . . 73.22 111.386 164.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.9 mt -102.31 131.58 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 C-N-CA 128.955 2.902 . . . . 74.14 103.476 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.49 128.54 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 105.917 -1.883 . . . . 71.15 105.917 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.83 88.47 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 114.744 1.387 . . . . 72.44 114.744 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.02 -37.79 88.78 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.626 1.57 . . . . 74.33 114.652 176.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -129.46 89.64 46.64 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-O 118.38 -0.819 . . . . 74.44 108.876 -161.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.02 -13.23 36.15 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 C-N-CA 122.765 2.31 . . . . 73.1 112.541 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.9 -43.68 78.73 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.298 1.439 . . . . 74.04 110.329 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -45.81 93.31 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 121.282 -0.886 . . . . 72.44 112.395 169.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.0 m -57.02 -46.78 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 112.704 0.631 . . . . 71.52 112.704 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.018 2.229 . . . . 75.42 117.018 171.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -45.25 84.17 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.282 -1.511 . . . . 72.24 112.621 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.8 -41.62 99.37 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.625 0.77 . . . . 64.14 109.761 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.6 -46.06 87.48 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.097 -1.002 . . . . 74.25 112.279 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.27 99.74 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 124.808 1.243 . . . . 73.42 110.799 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.73 -28.54 62.71 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.941 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.12 -46.61 64.44 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 120.084 1.311 . . . . 72.32 113.706 166.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.406 ' CD1' HD12 ' A' ' 139' ' ' LEU . 70.4 t80 -55.36 -47.89 75.06 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 115.161 1.541 . . . . 74.14 115.161 174.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 123' ' ' ILE . 34.3 ttpt -62.44 -32.75 73.66 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 122.03 0.919 . . . . 74.05 110.745 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.52 96.49 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 122.208 1.004 . . . . 74.4 112.062 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.44 -45.99 74.42 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 124.981 1.313 . . . . 70.1 114.436 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 120' ' ' LYS . 18.6 pt -65.2 -24.27 34.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 119.282 -2.136 . . . . 75.22 114.37 174.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -65.21 -35.64 81.7 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.22 -0.925 . . . . 64.05 111.484 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -76.24 -24.99 54.59 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.908 -1.12 . . . . 75.41 112.43 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -68.17 153.51 43.59 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 127.434 2.293 . . . . 73.13 114.784 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.59 0.39 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.442 1.097 . . . . 73.24 111.776 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -129.46 155.45 45.7 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.337 -1.357 . . . . 75.1 107.337 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.96 119.55 40.65 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.433 -0.794 . . . . 72.52 111.068 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -69.85 151.89 68.71 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.427 2.085 . . . . 63.51 108.994 156.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.8 p -86.34 168.5 13.8 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 106.646 -1.612 . . . . 70.42 106.646 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.7 -28.93 70.29 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.26 -1.525 . . . . 74.03 113.002 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.85 -40.85 94.42 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.721 -1.237 . . . . 74.41 112.164 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.47 -44.48 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 126.227 1.811 . . . . 71.33 113.082 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.26 81.67 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.535 1.061 . . . . 74.44 112.418 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 m -77.11 -33.2 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 121.484 -0.76 . . . . 73.14 109.318 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.26 99.84 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 119.464 -0.631 . . . . 65.13 114.096 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.85 -38.12 89.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.989 1.395 . . . . 71.3 113.661 173.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' A' ' 119' ' ' PHE . 53.6 mt -63.74 -51.32 65.44 Favored 'General case' 0 CA--C 1.477 -1.848 0 C-N-CA 124.682 1.193 . . . . 71.5 112.856 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 56' ' ' ALA . 27.0 mt -68.46 -40.72 80.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.154 -1.385 . . . . 74.22 111.117 -177.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.87 85.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.188 -1.57 . . . . 73.44 114.273 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.57 23.4 5.34 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.869 -1.144 . . . . 73.04 112.34 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 70' ' ' HIS . 11.9 t . . . . . 0 C--O 1.265 1.881 0 O-C-N 119.383 -2.073 . . . . 65.25 113.849 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.517 2.889 0 N-CA-C 118.222 2.675 . . . . 53.21 118.222 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -93.56 118.52 31.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 121.021 -1.049 . . . . 74.14 108.837 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 47.63 27.0 0.93 Allowed 'General case' 0 C--N 1.353 0.737 0 C-N-CA 130.746 3.618 . . . . 75.14 115.553 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.33 -45.03 97.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 125.596 1.558 . . . . 71.1 112.505 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -67.4 -21.64 65.58 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.568 2.062 . . . . 73.52 116.568 -146.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -65.6 133.42 51.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.866 1.266 . . . . 75.12 110.168 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.41 -31.37 72.05 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 117.72 2.489 . . . . 75.23 117.72 -157.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 ttp -120.46 129.27 53.8 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.097 -1.075 . . . . 74.42 108.097 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.4 p -128.92 162.74 26.83 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.339 -1.356 . . . . 73.45 107.339 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 pt -126.23 155.63 36.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 108.445 -0.946 . . . . 65.32 108.445 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -65.2 -37.85 88.61 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.535 1.134 . . . . 73.42 113.727 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.98 -29.81 69.9 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.046 2.138 . . . . 74.42 111.962 -171.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.75 75.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 116.328 1.973 . . . . 71.32 116.328 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -63.63 -46.7 83.19 Favored Pre-proline 0 C--N 1.36 1.054 0 CA-C-N 120.704 1.593 . . . . 75.24 113.599 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.84 -26.57 44.58 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 124.226 2.545 . . . . 72.53 114.561 166.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.89 -43.93 70.79 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.983 1.265 . . . . 71.35 112.376 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.99 -30.59 63.91 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.925 -1.109 . . . . 71.24 111.851 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.22 99.73 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.591 0.756 . . . . 74.13 112.114 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.2 t -60.58 -47.0 88.15 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.56 -0.904 . . . . 72.42 108.56 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -59.57 -42.89 93.51 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.004 -1.685 . . . . 73.31 112.988 -172.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.83 -39.58 56.45 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 114.33 1.233 . . . . 75.42 114.33 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.46 -39.02 86.07 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 125.557 1.543 . . . . 74.41 110.86 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 15.9 mt -83.36 -12.52 56.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.342 -0.845 . . . . 74.23 110.116 -177.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.61 48.01 12.37 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.87 2.068 . . . . 75.42 113.133 -174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.2 157.9 47.78 Favored Pre-proline 0 C--N 1.347 0.495 0 C-N-CA 124.708 1.203 . . . . 65.35 108.358 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.97 167.19 27.82 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.71 2.273 . . . . 75.54 113.576 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.31 -33.23 73.26 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 128.239 2.616 . . . . 75.23 109.246 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.26 62.85 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 127.754 2.421 . . . . 73.55 113.882 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -100.96 -24.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 O-C-N 120.548 -1.345 . . . . 70.22 112.182 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.0 ptm -65.93 -33.84 76.74 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.159 -1.588 . . . . 75.1 111.573 166.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.22 -20.28 61.58 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.349 0.87 . . . . 73.25 113.349 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -62.3 -38.4 89.26 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 113.401 0.889 . . . . 71.44 113.401 171.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CD2' HG12 ' A' ' 52' ' ' ILE . 21.0 t80 -61.47 -44.31 97.33 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.112 1.153 . . . . 75.5 114.112 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.1 p90 -70.89 -35.02 72.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 119.746 -1.847 . . . . 75.52 115.57 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.65 -18.01 64.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.246 1.818 . . . . 73.02 114.053 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -57.56 -40.62 79.33 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.349 2.26 . . . . 74.31 111.259 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -80.07 -8.75 59.54 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.725 0.81 . . . . 73.55 111.41 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.65 127.14 30.69 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.065 -1.022 . . . . 70.21 112.074 175.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -68.6 131.3 44.99 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.234 -1.541 . . . . 74.43 111.089 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.57 -8.19 74.51 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 121.688 -0.632 . . . . 62.51 113.74 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -96.65 138.03 34.84 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 119.237 1.518 . . . . 74.51 112.579 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -111.51 123.19 49.72 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 122.891 1.329 . . . . 74.52 107.845 166.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.88 123.46 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.111 1.365 . . . . 73.42 107.924 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p -126.19 3.64 7.12 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.543 1.137 . . . . 74.21 111.078 -173.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.83 132.96 33.99 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 124.489 1.115 . . . . 74.41 111.873 -165.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -59.62 -33.33 71.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 126.463 1.905 . . . . 74.54 113.495 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.34 -31.63 72.83 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 116.384 1.994 . . . . 65.24 116.384 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.26 84.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 121.863 0.839 . . . . 73.4 110.738 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.41 -41.02 99.48 Favored Glycine 0 CA--C 1.492 -1.403 0 O-C-N 121.044 -1.035 . . . . 75.11 113.944 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.26 -41.5 96.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.893 1.277 . . . . 72.42 111.244 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.01 -39.14 79.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 121.138 -0.976 . . . . 72.53 112.17 172.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.1 mt -60.11 -46.25 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 O-C-N 119.353 -2.092 . . . . 72.44 113.327 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.33 -29.13 68.61 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.098 1.518 . . . . 75.23 115.098 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' A' ' 23' ' ' LEU . 43.1 t -66.07 -41.62 90.49 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 127.93 2.492 . . . . 74.41 114.619 171.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.45 -38.86 85.51 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 118.625 -2.547 . . . . 73.44 112.759 172.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.91 -37.25 68.65 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 125.847 1.659 . . . . 63.15 114.484 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -81.46 -17.64 48.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.541 -0.724 . . . . 75.41 112.353 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.421 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 65.2 mttm -109.19 31.29 5.84 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.977 1.711 . . . . 72.33 112.918 -172.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD21 HD12 ' A' ' 62' ' ' LEU . 92.2 mt -81.23 -24.2 37.54 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.338 -2.101 . . . . 74.12 110.485 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.39 -15.28 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.339 1.456 . . . . 74.04 112.975 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -71.71 -26.62 62.57 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 126.758 2.023 . . . . 74.32 112.003 169.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.516 HD12 HD21 ' A' ' 59' ' ' LEU . 57.1 mt -74.44 161.33 29.92 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.682 1.993 . . . . 72.42 110.902 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.92 147.13 31.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.551 -1.343 . . . . 72.41 110.271 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.49 -29.91 70.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 114.754 1.39 . . . . 75.24 114.754 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -58.63 -34.65 71.41 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.127 -1.608 . . . . 74.51 113.68 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -79.39 -13.71 59.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.811 -1.181 . . . . 72.24 112.984 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 63.36 24.25 14.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 128.548 2.739 . . . . 74.43 116.514 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -83.67 122.45 28.63 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.004 -1.685 . . . . 64.43 110.733 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -140.35 151.04 44.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.116 -1.438 . . . . 74.33 107.116 166.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.81 129.39 39.75 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.184 0.992 . . . . 75.41 113.271 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.88 -9.81 74.88 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.264 1.411 . . . . 64.3 115.372 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -106.85 24.77 12.21 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.242 1.521 . . . . 75.35 111.752 -167.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.81 83.82 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 114.872 1.434 . . . . 71.1 114.872 -172.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.9 mtp -61.72 -41.22 97.33 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.523 1.056 . . . . 72.12 112.514 -175.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.52 -44.78 66.88 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 113.318 0.858 . . . . 74.52 113.318 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.6 -47.66 85.21 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 127.13 2.172 . . . . 73.14 112.835 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.68 93.16 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 113.621 0.971 . . . . 72.53 113.621 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.7 -35.83 81.85 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 114.04 1.126 . . . . 74.32 114.04 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.04 -28.25 68.92 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.767 -1.208 . . . . 72.21 112.788 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -94.97 14.64 21.07 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.784 1.634 . . . . 73.23 114.689 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.74 63.13 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 121.113 -0.992 . . . . 74.12 114.026 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.51 141.44 57.88 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.35 1.075 . . . . 72.32 111.567 164.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -81.4 170.37 16.06 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.503 -1.998 . . . . 73.54 108.344 168.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.76 -34.58 78.66 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.576 -1.327 . . . . 74.13 112.624 -172.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.39 84.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.337 1.855 . . . . 75.23 112.297 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.3 mtt -68.24 -39.23 82.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.972 1.309 . . . . 75.54 112.407 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.51 85.92 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.934 0.894 . . . . 73.42 112.847 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.17 -28.57 65.43 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.633 -1.292 . . . . 71.55 112.07 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -60.55 -42.42 96.53 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 115.016 1.487 . . . . 74.52 115.016 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.16 -41.82 99.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 121.433 1.924 . . . . 75.32 112.328 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.09 -39.76 94.75 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.979 -1.076 . . . . 73.21 111.814 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.652 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.0 t70 -66.39 -41.23 89.68 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.453 1.501 . . . . 64.32 114.898 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.0 -44.9 92.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.298 1.039 . . . . 75.01 109.266 172.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.51 -50.62 73.1 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 123.372 0.669 . . . . 74.25 111.099 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.652 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 13.1 p80 -74.87 -27.99 60.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 117.69 -1.604 . . . . 75.44 109.664 -170.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -43.84 88.97 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.741 -1.572 . . . . 75.33 111.285 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.465 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.5 m -66.15 -32.64 74.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.98 1.312 . . . . 71.41 114.483 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.52 -24.6 66.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.847 1.259 . . . . 74.52 112.397 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -75.27 -40.06 59.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.227 1.811 . . . . 73.5 109.946 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 97' ' ' CYS . 25.4 m -96.52 -29.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 123.557 0.743 . . . . 73.43 111.309 -165.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.11 154.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-O 122.648 1.213 . . . . 73.42 113.402 173.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.1 m -67.1 122.79 18.56 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.814 -1.179 . . . . 73.54 111.502 164.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.4 mt -103.19 131.92 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 C-N-CA 128.978 2.911 . . . . 74.41 103.456 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -113.19 127.77 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.712 0 N-CA-C 106.291 -1.744 . . . . 75.1 106.291 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.82 93.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.485 1.291 . . . . 70.34 114.485 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.14 -40.18 95.6 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.885 1.674 . . . . 60.11 113.534 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -130.7 95.67 25.59 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-O 117.903 -1.046 . . . . 71.21 109.976 -159.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.21 -13.51 38.1 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-N 123.331 2.225 . . . . 75.22 112.776 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.61 -44.63 77.58 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.782 1.233 . . . . 74.5 110.837 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.57 93.0 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.358 1.063 . . . . 73.21 111.701 171.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -57.1 -46.8 82.29 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.503 0.592 . . . . 64.43 112.595 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -46.83 76.58 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.958 2.207 . . . . 75.44 116.958 171.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.15 86.0 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.405 -1.434 . . . . 74.24 112.467 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.21 -41.51 99.15 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.644 0.778 . . . . 72.13 109.836 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.53 -45.96 88.17 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 121.255 -0.903 . . . . 71.11 112.357 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.1 99.71 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.842 1.257 . . . . 65.31 110.776 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -72.25 -29.03 63.53 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.891 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.29 -46.57 64.04 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 120.568 -1.332 . . . . 71.25 113.776 167.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -55.22 -48.26 74.16 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.245 1.572 . . . . 73.42 115.245 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.425 ' HA ' HG12 ' A' ' 123' ' ' ILE . 64.8 tttm -62.5 -32.2 73.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.02 0.914 . . . . 74.41 111.151 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 122.328 1.061 . . . . 73.03 111.943 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -68.69 -46.16 69.74 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.582 1.553 . . . . 72.35 114.051 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 126' ' ' LEU . 17.0 pt -64.68 -24.26 35.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 119.107 -2.246 . . . . 62.03 114.276 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.92 -32.63 74.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.293 1.037 . . . . 74.13 111.648 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -75.56 -26.94 58.38 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.946 -1.096 . . . . 74.45 112.601 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 123' ' ' ILE . 45.6 mt -69.7 153.21 43.71 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.115 2.166 . . . . 73.5 115.406 -169.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.26 -0.48 54.83 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.93 1.292 . . . . 74.41 111.718 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -129.32 155.01 46.31 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.901 -1.518 . . . . 74.3 106.901 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.71 118.02 41.59 Favored Pre-proline 0 N--CA 1.443 -0.818 0 CA-C-O 118.536 -0.745 . . . . 71.53 111.307 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.4 147.72 65.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.267 1.978 . . . . 64.15 108.977 155.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.0 t -79.84 166.44 21.69 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 108.836 -0.802 . . . . 73.44 108.836 164.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.58 -33.56 74.1 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 120.807 -1.183 . . . . 63.51 111.456 -175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.39 -43.11 92.98 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.498 0.719 . . . . 65.34 112.261 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 p -82.53 -44.69 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 126.999 2.12 . . . . 75.23 114.914 173.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.33 82.77 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.299 -0.876 . . . . 61.02 113.264 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.28 -29.22 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 N-CA-C 108.097 -1.075 . . . . 74.44 108.097 174.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.19 99.56 Favored Glycine 0 C--N 1.353 1.519 0 CA-C-O 119.033 -0.87 . . . . 72.24 113.979 -174.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.42 -36.9 85.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.426 1.613 . . . . 75.14 113.395 173.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 mt -62.63 -51.67 66.38 Favored 'General case' 0 CA--C 1.482 -1.661 0 N-CA-C 113.206 0.817 . . . . 75.12 113.206 171.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 56' ' ' ALA . 33.7 mt -69.43 -39.91 77.56 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.933 -1.03 . . . . 74.11 111.902 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.44 92.66 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 119.839 -1.788 . . . . 63.12 113.657 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -96.71 34.62 1.64 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.343 -0.848 . . . . 74.1 111.51 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.262 1.72 0 O-C-N 119.89 -1.756 . . . . 75.25 114.375 177.076 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.516 2.832 0 N-CA-C 114.639 1.348 . . . . 61.03 114.639 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.643 -1.285 . . . . 72.55 114.09 -168.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -92.13 7.78 40.9 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 123.852 0.861 . . . . 73.42 112.87 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.8 t -103.72 -52.16 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 108.141 -1.059 . . . . 72.32 108.141 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.2 ptm -66.53 -33.9 76.72 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.299 1.222 . . . . 75.33 114.299 -153.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -139.55 128.77 23.93 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.809 -2.663 . . . . 72.54 103.809 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.07 144.17 38.75 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.834 1.05 . . . . 73.21 113.834 -172.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.6 tpp -143.65 142.1 30.87 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 107.418 -1.327 . . . . 73.22 107.418 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -143.74 156.57 44.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 105.613 -1.995 . . . . 73.43 105.613 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.54 159.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 108.131 -1.063 . . . . 74.43 108.131 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -154.67 157.22 37.8 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 104.897 -2.261 . . . . 75.15 104.897 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -65.06 -22.45 66.97 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.273 1.029 . . . . 74.34 113.589 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.76 68.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 115.997 1.851 . . . . 73.3 115.997 168.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -63.02 -44.85 86.06 Favored Pre-proline 0 C--N 1.352 0.694 0 CA-C-O 116.223 -1.846 . . . . 73.11 114.378 -174.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -68.15 -27.55 35.27 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 125.362 2.951 . . . . 74.31 112.913 167.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.0 ttp -77.71 -40.02 42.66 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 119.407 1.003 . . . . 73.04 112.016 -169.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.56 -32.82 73.01 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.217 -0.927 . . . . 75.41 111.768 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.07 94.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.485 1.114 . . . . 51.44 111.851 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.35 -0.61 8.49 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 115.186 1.55 . . . . 74.5 115.186 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -91.28 -48.19 7.06 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 119.627 -1.921 . . . . 74.32 110.237 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.45 -36.82 44.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 119.872 -1.768 . . . . 70.42 114.549 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.6 -37.8 79.55 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 127.731 2.412 . . . . 74.22 110.44 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.38 -10.13 52.92 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.164 -1.38 . . . . 61.02 109.288 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.52 46.68 14.56 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.919 2.088 . . . . 73.45 113.121 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.68 157.89 46.78 Favored Pre-proline 0 C--N 1.348 0.504 0 C-N-CA 124.369 1.068 . . . . 74.2 109.36 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.41 166.34 29.69 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.552 2.168 . . . . 75.41 113.504 176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.06 -28.99 70.46 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.328 2.651 . . . . 75.12 109.805 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.35 68.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 127.35 2.26 . . . . 73.12 113.487 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.2 m -99.79 -22.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 120.223 -1.548 . . . . 74.42 112.058 -173.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.1 ptm -66.95 -32.24 73.36 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.115 -1.616 . . . . 74.1 112.138 166.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -76.51 -15.24 59.93 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.734 -1.228 . . . . 71.04 113.229 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.66 -37.75 79.57 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.063 -1.023 . . . . 71.14 112.809 167.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -60.26 -39.91 88.46 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.175 1.39 . . . . 74.03 114.509 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.86 -44.5 95.96 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 120.143 -1.598 . . . . 75.32 113.617 171.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -65.84 -25.39 67.18 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 127.015 2.126 . . . . 74.21 114.159 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.78 -41.81 78.31 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 127.096 2.158 . . . . 73.01 112.236 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -80.11 -9.56 59.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.578 -0.701 . . . . 74.54 111.937 -174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.85 131.69 49.66 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.004 0.922 . . . . 75.45 112.443 177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -66.02 128.56 36.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.418 -1.426 . . . . 74.22 110.962 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.94 -7.37 79.03 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.512 -0.742 . . . . 51.23 114.555 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -91.85 138.59 31.43 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.628 1.714 . . . . 74.24 113.167 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -114.64 115.36 27.01 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.804 -1.184 . . . . 71.12 107.804 168.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.56 125.94 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 124.431 1.092 . . . . 75.14 108.633 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -118.73 1.58 11.61 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.386 1.074 . . . . 75.03 111.966 -174.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -85.01 130.38 34.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.295 -0.878 . . . . 73.44 111.589 -167.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -59.27 -32.77 70.31 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.957 2.103 . . . . 74.42 113.262 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -63.49 -30.87 71.93 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 116.278 1.955 . . . . 74.44 116.278 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.37 88.88 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 118.886 0.767 . . . . 71.25 111.47 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.34 95.05 Favored Glycine 0 CA--C 1.486 -1.742 0 O-C-N 120.164 -1.585 . . . . 71.25 112.917 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.3 -40.41 97.29 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.16 0.984 . . . . 65.53 111.114 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.27 -42.89 84.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 121.233 -0.917 . . . . 75.24 112.021 170.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.45 -45.62 96.53 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 O-C-N 120.891 -1.13 . . . . 72.43 111.859 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.14 -28.25 67.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 114.774 1.398 . . . . 72.55 114.774 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.54 -42.34 99.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.555 1.542 . . . . 74.3 111.943 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -38.35 84.92 Favored 'General case' 0 C--N 1.367 1.353 0 CA-C-N 120.884 1.675 . . . . 73.5 113.538 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -57.38 -36.94 71.88 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 126.338 1.855 . . . . 74.11 115.182 -173.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.23 -40.38 77.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.268 0.84 . . . . 74.21 113.268 168.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 69.2 mttm -98.21 38.8 1.28 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.82 1.648 . . . . 64.3 112.508 -167.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 62' ' ' LEU . 96.8 mt -79.52 -29.35 41.45 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-O 123.422 1.582 . . . . 74.25 111.289 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.85 -16.88 64.23 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.24 1.416 . . . . 73.41 111.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.5 mt -77.19 -25.71 52.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.89 2.076 . . . . 71.12 110.831 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 59' ' ' LEU . 57.6 mt -67.16 162.58 22.13 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 128.212 2.605 . . . . 74.13 110.965 -177.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -66.77 120.96 14.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.868 -1.145 . . . . 71.44 111.207 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.83 -25.28 66.51 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.168 1.387 . . . . 73.14 113.801 -169.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.51 -33.92 64.18 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.62 1.968 . . . . 74.14 113.245 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptm -80.21 -10.05 59.74 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.899 1.227 . . . . 74.01 111.851 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 64.29 26.96 13.78 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.214 3.006 . . . . 75.23 115.773 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.21 122.41 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.823 -1.798 . . . . 73.21 112.596 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -140.84 153.46 45.77 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.201 -1.407 . . . . 61.42 107.201 164.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.44 129.15 39.37 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.275 1.036 . . . . 72.23 112.724 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.85 -10.58 74.21 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 124.317 0.96 . . . . 73.4 114.333 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.08 23.8 11.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.709 1.203 . . . . 73.1 110.567 -174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.73 79.99 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.564 1.32 . . . . 73.43 114.564 -173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.48 -40.44 94.55 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 119.718 1.144 . . . . 72.24 112.497 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -71.06 -44.75 65.12 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.462 0.912 . . . . 72.21 113.462 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.96 -47.68 84.79 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.767 2.027 . . . . 74.24 113.324 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.54 93.89 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 120.993 -1.067 . . . . 73.4 113.138 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.2 mtp -63.41 -36.23 83.04 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.717 1.207 . . . . 74.33 113.434 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.52 -27.61 68.72 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.778 -1.201 . . . . 72.25 112.252 172.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -94.19 13.15 24.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.903 1.681 . . . . 71.44 114.355 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.68 63.94 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 121.09 -1.006 . . . . 74.43 114.414 167.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.56 58.04 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 118.51 1.155 . . . . 75.0 111.535 164.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -81.07 169.1 17.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.565 -1.959 . . . . 73.33 108.039 168.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.94 -34.63 78.88 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.643 -1.286 . . . . 73.44 112.625 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.32 86.93 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.369 1.868 . . . . 71.11 112.432 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.1 mtt -68.12 -39.42 82.76 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.921 1.289 . . . . 70.31 112.561 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.45 86.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.796 0.838 . . . . 72.23 113.078 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -69.08 -29.51 67.64 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.695 -1.253 . . . . 75.23 112.034 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.49 -42.26 95.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.782 1.401 . . . . 74.03 114.782 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.18 -41.66 99.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 121.384 1.902 . . . . 74.23 112.927 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.45 -39.55 94.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.852 0.861 . . . . 64.43 111.467 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.647 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.7 t70 -66.88 -41.14 87.73 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 114.815 1.413 . . . . 75.02 114.815 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.95 -44.84 91.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 124.434 1.093 . . . . 73.13 109.385 171.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.1 -50.86 72.02 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 123.368 0.667 . . . . 71.44 111.169 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.647 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.5 p80 -75.7 -27.68 58.32 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.788 -1.565 . . . . 73.03 109.226 -169.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -43.98 89.59 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.835 -1.53 . . . . 74.52 111.24 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.455 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.9 m -66.59 -32.34 73.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.64 1.348 . . . . 73.14 114.64 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.55 -26.07 67.71 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.809 1.244 . . . . 71.42 112.209 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -75.69 -42.11 51.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.801 1.64 . . . . 75.45 109.675 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' A' ' 97' ' ' CYS . 22.1 m -87.66 -33.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 C-N-CA 123.438 0.695 . . . . 74.2 111.998 -169.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.89 155.48 7.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 122.67 1.224 . . . . 75.14 113.912 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.4 m -66.95 122.31 17.44 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.846 -1.159 . . . . 72.52 111.525 164.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.19 132.27 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 C-N-CA 128.771 2.828 . . . . 73.2 103.836 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 t -113.52 128.39 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 106.148 -1.797 . . . . 63.44 106.148 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.32 89.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.132 1.16 . . . . 75.2 114.132 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.57 -37.9 89.16 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.751 1.62 . . . . 63.21 114.466 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 96.6 23.26 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.757 -1.116 . . . . 64.14 109.306 -162.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.42 -13.57 37.87 Favored 'Trans proline' 0 C--N 1.326 -0.646 0 CA-C-N 123.797 2.392 . . . . 65.15 112.913 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.33 -44.86 74.43 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.821 1.249 . . . . 72.23 110.995 -176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.54 93.14 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.391 1.077 . . . . 72.34 111.687 172.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 m -56.88 -46.2 82.02 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.067 0.394 . . . . 63.43 111.494 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.9 tpp -65.22 -49.52 69.37 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.691 -1.256 . . . . 75.03 114.039 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -45.51 78.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.853 1.261 . . . . 74.32 112.484 -176.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.73 -41.58 99.24 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.727 0.811 . . . . 73.05 109.62 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.33 -46.04 88.45 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 121.267 -0.896 . . . . 72.01 112.451 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.41 99.56 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.047 1.339 . . . . 63.45 110.49 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.4 ptm -73.88 -28.9 61.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.772 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.22 -46.49 67.25 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.674 -1.266 . . . . 63.43 113.511 166.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -54.8 -47.93 73.39 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 115.225 1.565 . . . . 72.12 115.225 173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.82 -30.84 71.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 123.572 0.749 . . . . 74.45 112.045 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.453 1.12 . . . . 72.23 111.93 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.73 -46.79 71.18 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.456 1.502 . . . . 65.45 114.666 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.26 -20.64 26.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 118.645 -2.535 . . . . 72.42 115.524 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -63.05 -38.82 92.72 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.155 -0.966 . . . . 72.34 111.394 168.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -76.74 -26.05 54.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.431 -0.793 . . . . 75.2 113.134 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.4 mt -67.1 153.25 44.13 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.983 2.113 . . . . 72.42 114.883 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.02 -0.3 53.95 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.478 1.111 . . . . 55.24 111.792 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -128.95 154.43 46.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.971 -1.492 . . . . 65.1 106.971 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.52 119.57 39.58 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.392 -0.813 . . . . 73.4 110.823 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.67 151.03 69.49 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.451 2.101 . . . . 75.22 109.26 158.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -87.35 169.13 12.53 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 106.902 -1.518 . . . . 71.13 106.902 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.0 -26.96 69.1 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.262 -1.524 . . . . 63.54 113.168 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.4 -40.48 94.54 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.56 -1.338 . . . . 75.3 112.212 174.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.38 -43.96 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 126.231 1.812 . . . . 63.45 113.15 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.63 80.44 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 119.466 1.03 . . . . 74.24 112.571 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -33.72 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 109.037 -0.727 . . . . 72.44 109.037 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.89 99.68 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 121.765 -0.584 . . . . 72.15 113.838 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.43 -37.79 88.76 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.742 1.271 . . . . 55.52 113.74 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.1 mt -63.5 -51.57 64.99 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 124.549 1.14 . . . . 74.44 112.657 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 56' ' ' ALA . 35.1 mt -68.35 -42.29 79.46 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.01 -1.45 . . . . 73.13 111.263 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.3 77.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 120.52 -1.363 . . . . 75.13 114.243 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -91.32 21.16 4.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.743 -1.223 . . . . 63.3 112.193 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.266 1.949 0 O-C-N 119.389 -2.069 . . . . 72.34 113.914 178.241 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.515 2.79 0 N-CA-C 114.545 1.313 . . . . 72.24 114.545 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -62.23 -43.16 99.46 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.551 1.54 . . . . 73.3 114.328 -167.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -94.99 9.91 37.62 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.264 1.026 . . . . 64.53 112.898 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.78 -55.52 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 106.226 -1.768 . . . . 64.4 106.226 -176.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.5 mtt 55.19 35.09 24.08 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 130.804 3.641 . . . . 73.42 115.176 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -138.67 140.9 38.99 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 106.182 -1.785 . . . . 75.34 106.182 175.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -119.79 158.45 26.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 124.082 0.953 . . . . 73.23 110.363 -175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.35 157.78 45.02 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.33 -0.989 . . . . 71.04 108.33 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -75.8 -42.21 50.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.556 1.317 . . . . 73.11 114.556 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.91 156.45 42.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 C-N-CA 123.734 0.814 . . . . 75.52 109.816 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -62.41 -36.65 83.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.109 1.363 . . . . 71.25 112.871 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.36 -19.34 65.91 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.759 1.624 . . . . 73.31 113.482 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.98 90.25 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 116.393 1.997 . . . . 73.4 116.393 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.71 -46.48 82.57 Favored Pre-proline 0 C--N 1.353 0.718 0 CA-C-O 116.612 -1.661 . . . . 74.41 114.228 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.92 -28.63 29.16 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 CA-C-N 124.745 2.73 . . . . 74.23 114.428 165.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mtp -66.28 -42.81 87.88 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 121.939 2.154 . . . . 75.5 114.775 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.74 -32.47 71.02 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.78 -1.2 . . . . 74.52 111.509 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.87 91.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 123.913 0.885 . . . . 75.01 112.39 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -74.12 -0.93 18.14 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.897 1.279 . . . . 74.52 113.779 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -48.47 7.97 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 119.582 -1.949 . . . . 74.25 110.32 164.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.68 -37.49 35.72 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.94 -1.725 . . . . 73.13 114.471 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.63 -38.03 80.25 Favored 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 128.172 2.589 . . . . 61.04 110.211 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.1 -6.96 56.67 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.213 -1.358 . . . . 73.14 109.435 -174.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.63 46.23 20.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.071 2.548 . . . . 74.21 113.898 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.53 160.27 36.92 Favored Pre-proline 0 C--N 1.35 0.621 0 C-N-CA 124.349 1.06 . . . . 74.54 110.284 -173.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -72.35 165.21 33.33 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.684 2.256 . . . . 74.34 113.918 174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.41 -30.58 71.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.684 2.794 . . . . 64.35 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.2 70.09 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 127.549 2.34 . . . . 72.34 113.03 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.39 -34.9 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.685 -1.259 . . . . 72.21 112.802 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptm -66.09 -31.93 73.1 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.709 -1.87 . . . . 73.52 112.124 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -72.03 -20.32 61.71 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 121.909 0.862 . . . . 75.32 113.154 178.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.78 -38.81 92.07 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.439 -0.788 . . . . 74.33 113.043 172.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -61.34 -43.79 98.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.493 1.294 . . . . 73.23 114.493 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.1 p90 -71.61 -36.12 70.7 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 115.435 1.643 . . . . 73.13 115.435 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.43 -24.18 67.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.427 1.491 . . . . 74.04 113.791 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -56.53 -39.83 74.04 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 127.703 2.401 . . . . 74.24 111.637 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -75.4 -13.37 60.39 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.722 0.809 . . . . 75.45 112.426 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.63 126.25 27.31 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.16 -0.962 . . . . 73.41 109.737 168.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.06 127.72 34.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.344 -1.472 . . . . 73.21 114.635 -164.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.74 -10.78 58.9 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.198 -0.91 . . . . 74.01 113.592 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.61 134.02 51.47 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.125 1.463 . . . . 75.53 113.025 -168.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -88.06 78.82 8.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 122.527 1.156 . . . . 72.24 113.811 -162.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.77 119.31 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 122.022 0.915 . . . . 63.4 109.486 172.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p -128.46 0.91 5.63 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.552 1.541 . . . . 53.01 110.777 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -83.75 127.75 34.03 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 124.351 1.06 . . . . 72.42 109.653 -169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -58.6 -34.0 70.63 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 126.32 1.848 . . . . 75.42 113.761 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.6 -22.33 64.45 Favored 'General case' 0 CA--C 1.475 -1.922 0 N-CA-C 117.341 2.349 . . . . 75.31 117.341 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.5 66.26 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.386 0.994 . . . . 73.14 109.385 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.28 97.82 Favored Glycine 0 CA--C 1.491 -1.409 0 CA-C-O 117.903 -1.498 . . . . 72.33 113.822 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.3 m -67.12 -37.83 84.54 Favored 'General case' 0 C--N 1.369 1.434 0 CA-C-N 120.198 1.999 . . . . 74.32 111.404 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.33 -41.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.145 -0.972 . . . . 75.3 112.156 171.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.1 mt -60.06 -45.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 120.325 -1.484 . . . . 75.11 112.902 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.38 -28.18 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.104 1.52 . . . . 75.11 115.104 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 48.0 t -64.93 -41.24 95.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.939 1.696 . . . . 75.13 113.09 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.85 -39.9 86.76 Favored 'General case' 0 C--N 1.366 1.326 0 CA-C-N 122.524 2.42 . . . . 73.43 112.732 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -56.89 -36.27 69.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 125.475 1.51 . . . . 71.31 114.545 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -81.96 -12.82 58.17 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.537 0.94 . . . . 75.31 113.537 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.1 mttm -119.15 46.34 1.91 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.002 1.721 . . . . 73.25 112.911 -173.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 62' ' ' LEU . 90.0 mt -88.3 -17.65 30.22 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 125.624 1.57 . . . . 72.43 111.289 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -60.24 -37.86 81.69 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 128.938 2.895 . . . . 75.52 110.405 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.1 mt -63.93 -28.91 70.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.97 2.908 . . . . 74.13 111.221 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD12 HD21 ' A' ' 59' ' ' LEU . 55.1 mt -70.34 161.59 30.14 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.716 2.006 . . . . 71.21 109.387 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.88 135.41 41.52 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.963 -1.711 . . . . 74.21 108.686 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.19 -26.0 66.01 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.269 1.028 . . . . 74.32 113.632 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.49 -33.25 69.58 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.303 1.441 . . . . 73.44 113.702 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -79.51 -10.54 59.82 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 119.988 1.267 . . . . 75.45 111.902 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m120 64.01 28.21 14.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 129.357 3.063 . . . . 71.51 115.346 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -79.99 120.75 24.59 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.8 . . . . 71.21 111.383 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -136.7 153.11 50.97 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.74 -1.948 . . . . 72.13 105.74 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.73 131.05 47.62 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.4 1.095 . . . . 75.04 112.594 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.71 -12.36 67.42 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 124.642 1.115 . . . . 72.53 113.964 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.75 20.56 12.81 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.585 1.554 . . . . 64.31 110.748 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.79 78.94 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 125.286 1.434 . . . . 54.22 114.157 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.8 mtt -61.02 -41.08 95.86 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.444 1.02 . . . . 65.23 112.276 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.71 -44.6 63.88 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 113.449 0.907 . . . . 64.32 113.449 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.36 -47.44 86.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.192 2.197 . . . . 70.22 113.155 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.86 93.22 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 121.038 -1.039 . . . . 74.13 112.892 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 68.7 mtm -63.15 -36.09 82.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 113.967 1.099 . . . . 64.33 113.967 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.01 -28.14 68.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 120.836 -1.165 . . . . 75.43 112.291 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.25 13.39 25.69 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.85 1.66 . . . . 73.11 114.525 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.77 0.85 63.94 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 121.069 -1.019 . . . . 44.15 114.264 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.86 142.14 57.42 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.403 1.101 . . . . 74.45 111.313 163.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.01 170.17 16.58 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.456 -2.027 . . . . 63.3 108.308 169.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.51 -34.95 79.41 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.606 -1.309 . . . . 73.31 112.652 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.47 81.44 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.329 1.852 . . . . 74.05 112.316 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -70.32 -36.52 74.32 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.273 1.029 . . . . 72.11 112.103 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.45 85.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.997 0.919 . . . . 74.34 113.095 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.5 -27.3 64.09 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.43 -1.419 . . . . 72.03 112.365 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.37 -42.01 94.95 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 114.61 1.337 . . . . 72.01 114.61 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.5 mt -63.36 -41.59 98.84 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 121.3 1.864 . . . . 74.31 112.693 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.4 -40.35 95.62 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.322 -0.861 . . . . 74.34 111.736 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.624 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 34.5 t70 -65.88 -41.49 91.49 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.574 1.55 . . . . 74.44 115.024 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.67 -44.81 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 124.43 1.092 . . . . 70.21 109.277 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 3.9 tttt -58.17 -54.22 49.39 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 123.134 0.573 . . . . 74.54 110.295 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.624 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 8.3 p80 -69.79 -31.69 69.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 120.927 -1.108 . . . . 73.04 109.589 -171.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -65.01 -43.62 91.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 114.207 -1.361 . . . . 75.14 111.167 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.453 ' HA ' HG23 ' A' ' 100' ' ' VAL . 16.9 m -66.11 -32.49 73.98 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.349 1.611 . . . . 65.31 115.349 173.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 35.6 mt-10 -60.7 -29.02 69.07 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.068 1.347 . . . . 74.44 111.013 -176.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.93 -41.29 68.0 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.842 2.457 . . . . 74.1 110.357 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 97' ' ' CYS . 24.5 m -94.97 -28.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.237 0.615 . . . . 73.23 111.187 -164.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.9 156.24 6.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-O 122.656 1.217 . . . . 72.25 113.894 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.0 m -67.51 123.28 19.99 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.934 -1.104 . . . . 75.35 111.675 163.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.3 131.75 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 128.85 2.86 . . . . 73.34 103.564 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.39 128.65 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 105.855 -1.906 . . . . 73.44 105.855 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.72 89.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 114.754 1.39 . . . . 63.21 114.754 170.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -65.0 -37.94 89.32 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.661 1.584 . . . . 64.15 114.735 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -128.9 92.99 38.27 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-O 118.272 -0.87 . . . . 75.02 108.844 -161.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.34 -13.96 36.6 Favored 'Trans proline' 0 C--N 1.331 -0.342 0 C-N-CA 122.71 2.273 . . . . 72.24 112.317 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 72.3 m -70.52 -43.37 69.77 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.225 1.41 . . . . 71.51 110.724 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.79 92.41 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.084 -1.01 . . . . 74.51 112.08 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.0 m -56.81 -45.63 82.15 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.534 0.607 . . . . 72.34 111.648 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.29 -50.41 65.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.308 1.225 . . . . 71.11 114.308 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.963 1.305 . . . . 64.32 112.729 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.34 -41.72 98.81 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.585 0.754 . . . . 75.11 109.689 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.39 -46.05 88.22 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 121.116 -0.99 . . . . 75.41 112.337 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.66 99.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 125.04 1.336 . . . . 74.43 110.761 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -72.38 -28.88 63.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 119.099 -0.476 . . . . 73.25 111.133 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.48 -46.22 64.18 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-N 120.124 1.329 . . . . 72.31 113.409 167.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -54.61 -48.0 72.73 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.719 1.378 . . . . 73.02 114.719 173.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.88 -32.3 73.53 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 124.006 0.922 . . . . 73.11 111.303 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.29 99.16 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 122.536 1.16 . . . . 61.21 112.008 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -68.38 -45.79 71.77 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.874 1.27 . . . . 74.22 114.358 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.03 -20.08 26.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 O-C-N 118.732 -2.48 . . . . 71.5 115.644 172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.31 -40.25 95.7 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.278 1.031 . . . . 74.23 111.657 167.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 113.453 0.908 . . . . 63.13 113.453 -175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.07 151.57 46.84 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.179 2.192 . . . . 71.35 115.826 -172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.97 -0.45 48.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 113.642 -1.617 . . . . 75.32 112.587 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -133.39 155.67 49.05 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.226 -1.768 . . . . 74.42 106.226 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.66 39.97 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 118.443 -0.789 . . . . 71.34 110.956 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 150.73 68.59 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.331 2.02 . . . . 75.43 109.191 157.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -87.21 168.93 12.78 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 106.866 -1.531 . . . . 72.14 106.866 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.94 -26.99 69.08 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.271 -1.518 . . . . 74.23 113.1 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.9 -40.03 91.52 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.773 -1.204 . . . . 73.44 111.899 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.3 -43.91 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 C-N-CA 126.454 1.902 . . . . 73.34 113.34 -173.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.27 82.83 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.704 1.138 . . . . 73.33 112.62 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 m -77.33 -33.76 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 O-C-N 121.534 -0.729 . . . . 64.04 109.096 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.86 -41.17 99.61 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 121.652 -0.655 . . . . 73.34 113.859 -172.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.06 -38.03 89.6 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.741 1.271 . . . . 71.34 113.992 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.56 -51.96 63.12 Favored 'General case' 0 CA--C 1.478 -1.798 0 C-N-CA 124.778 1.231 . . . . 75.03 112.57 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 56' ' ' ALA . 25.5 mt -68.34 -40.83 81.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 113.981 -1.463 . . . . 75.13 111.318 -176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.09 81.45 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.383 -1.448 . . . . 73.55 114.161 174.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -90.48 18.85 5.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.94 -1.1 . . . . 74.33 112.191 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.266 1.952 0 O-C-N 119.587 -1.946 . . . . 75.52 114.108 179.26 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.517 2.912 0 N-CA-C 115.5 1.667 . . . . 71.41 115.5 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.62 -43.83 97.83 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 124.555 1.142 . . . . 74.22 113.623 -170.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -83.52 1.15 43.33 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 114.592 1.33 . . . . 74.42 114.592 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.32 -51.91 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.622 -1.251 . . . . 61.41 107.622 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.25 67.04 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 114.564 1.32 . . . . 73.0 114.564 -155.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 14.01 13.68 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 125.988 1.715 . . . . 74.33 115.373 -168.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.52 -35.83 80.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 127.36 2.264 . . . . 75.0 113.367 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.8 mtm -124.48 132.62 53.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 104.674 -2.343 . . . . 72.33 104.674 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -153.77 156.9 38.59 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.769 -1.197 . . . . 74.21 107.769 -176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt 73.19 110.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.842 0 C-N-CA 127.83 2.452 . . . . 74.12 114.074 173.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -144.48 131.76 20.72 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 102.335 -3.209 . . . . 75.3 102.335 159.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.8 p90 46.16 32.78 1.54 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.759 2.423 . . . . 73.5 116.719 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.19 81.04 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 118.238 2.681 . . . . 72.43 118.238 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.07 -46.54 91.54 Favored Pre-proline 0 C--N 1.349 0.583 0 CA-C-O 117.094 -1.431 . . . . 63.55 113.051 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.39 -26.11 29.65 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 CA-C-N 124.043 2.48 . . . . 75.44 114.991 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.69 -45.17 83.84 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 121.252 1.842 . . . . 74.25 114.154 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.06 -32.18 64.87 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 121.148 -0.97 . . . . 75.43 111.291 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.62 87.87 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.63 -0.7 . . . . 71.11 112.715 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 10.4 t -60.94 -46.43 90.73 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.619 1.1 . . . . 72.02 108.275 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.98 -42.27 93.83 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.228 -1.545 . . . . 74.43 112.54 -171.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.05 -37.85 53.84 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.793 -1.192 . . . . 74.41 113.999 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.91 -39.33 81.2 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 127.164 2.186 . . . . 75.32 110.385 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 16.6 mt -86.32 -10.97 53.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.346 -0.843 . . . . 72.41 109.961 -175.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.2 47.09 14.86 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.547 1.939 . . . . 71.14 112.769 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.91 160.39 38.97 Favored Pre-proline 0 CA--C 1.511 -0.534 0 C-N-CA 125.061 1.344 . . . . 74.1 108.204 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.1 173.77 13.55 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.086 1.858 . . . . 73.11 113.871 173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.62 -40.06 82.24 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 129.646 3.179 . . . . 74.52 112.653 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.43 64.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 128.499 2.719 . . . . 50.31 113.641 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 m -101.49 -26.13 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 120.833 -1.167 . . . . 73.42 112.084 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -66.26 -31.6 72.51 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.121 -1.612 . . . . 73.02 111.926 167.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.7 -19.58 61.38 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 113.646 0.98 . . . . 75.54 113.646 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.09 -39.0 90.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.456 -0.777 . . . . 72.23 113.071 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.9 t80 -60.71 -43.89 97.24 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.06 1.133 . . . . 72.22 114.06 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 45.5 p90 -72.29 -35.6 68.73 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.677 1.732 . . . . 74.4 115.677 176.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.03 -24.64 67.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.737 1.615 . . . . 71.4 113.52 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.42 -39.2 69.94 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 128.493 2.717 . . . . 71.22 111.654 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -79.02 -11.66 60.01 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.701 0.8 . . . . 73.44 111.073 -173.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -67.94 125.18 25.49 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 121.244 -0.91 . . . . 74.4 109.331 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.61 126.83 30.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.602 -1.311 . . . . 75.32 114.288 -167.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.69 -13.04 67.74 Favored Glycine 0 C--N 1.353 1.507 0 C-N-CA 124.77 1.176 . . . . 74.14 113.906 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.21 135.09 51.47 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.317 1.558 . . . . 73.52 113.252 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -88.43 77.84 8.02 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.787 -1.196 . . . . 73.14 113.598 -165.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mm -91.47 117.22 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.97 0.891 . . . . 72.51 108.648 171.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -129.45 5.87 5.22 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 124.57 1.148 . . . . 74.51 110.088 -175.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -90.94 131.96 36.24 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.031 0.932 . . . . 74.13 111.696 -161.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -59.44 -33.23 71.01 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.636 1.974 . . . . 75.35 113.705 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.5 -29.81 71.03 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 116.508 2.04 . . . . 71.41 116.508 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.63 85.51 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.009 0.822 . . . . 73.43 111.392 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.28 94.94 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.325 -1.484 . . . . 62.24 113.462 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -63.63 -41.24 98.29 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.389 1.076 . . . . 73.41 110.92 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 p -69.94 -40.46 78.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 121.275 -0.89 . . . . 72.35 111.425 172.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.6 mt -59.9 -45.93 94.51 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 O-C-N 119.374 -2.079 . . . . 61.34 113.007 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.39 -28.91 68.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 114.587 1.328 . . . . 74.43 114.587 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.424 ' SG ' HD21 ' A' ' 23' ' ' LEU . 43.8 t -66.41 -41.39 89.34 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 126.507 1.923 . . . . 74.43 114.171 173.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.0 -37.7 83.44 Favored 'General case' 0 C--N 1.367 1.333 0 O-C-N 118.917 -2.365 . . . . 75.31 112.192 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 140' ' ' LEU . . . -55.26 -35.04 64.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.154 1.781 . . . . 72.23 115.368 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -82.74 -19.08 38.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.584 -0.698 . . . . 75.45 112.583 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 68.6 mttm -111.14 37.44 2.84 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.075 1.75 . . . . 71.44 112.783 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 HD12 ' A' ' 62' ' ' LEU . 90.9 mt -84.42 -18.71 35.14 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 119.897 -1.752 . . . . 73.3 111.118 -177.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.18 -34.48 75.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.115 2.566 . . . . 70.53 109.651 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -65.2 -28.06 69.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 128.55 2.74 . . . . 74.34 111.791 179.09 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.505 HD12 HD21 ' A' ' 59' ' ' LEU . 68.9 mt -69.43 159.28 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 126.814 2.046 . . . . 73.01 112.098 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.07 131.13 43.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.806 -1.184 . . . . 74.14 111.793 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.29 -26.36 67.73 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.265 1.209 . . . . 75.12 114.265 -174.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.32 -34.62 66.72 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.172 1.389 . . . . 64.32 113.493 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.5 ptm -81.22 -12.43 59.15 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.73 -1.231 . . . . 72.44 112.254 177.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.28 32.0 20.62 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.041 2.536 . . . . 71.24 116.187 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.8 122.33 27.55 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.246 -1.534 . . . . 74.12 110.821 176.262 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -141.16 149.41 41.45 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.974 -1.491 . . . . 74.44 106.974 165.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.469 ' CE1' HG21 ' A' ' 143' ' ' THR . 6.7 t60 -65.49 130.87 44.84 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.597 1.159 . . . . 73.44 111.313 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.49 -11.71 70.58 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 124.12 0.867 . . . . 74.43 115.051 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.71 26.87 8.58 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.685 1.243 . . . . 74.21 110.55 -172.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.98 83.71 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 114.42 1.267 . . . . 73.21 114.42 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.8 mtp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 119.644 1.111 . . . . 75.31 112.326 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.44 -44.99 70.17 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.281 0.845 . . . . 75.32 113.281 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.57 -47.83 84.47 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.672 1.989 . . . . 72.23 113.102 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 121.131 -0.981 . . . . 75.21 113.087 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.2 mtm -63.7 -36.33 83.5 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 114.037 1.125 . . . . 72.24 114.037 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.18 -27.65 68.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.673 -1.267 . . . . 72.05 112.504 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -94.18 13.61 22.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.659 1.583 . . . . 65.2 114.573 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.9 0.45 63.95 Favored Glycine 0 C--N 1.351 1.4 0 O-C-N 120.976 -1.078 . . . . 34.11 114.365 167.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.93 143.02 57.07 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 118.439 1.12 . . . . 73.14 111.365 163.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -81.85 170.55 15.53 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.621 -1.925 . . . . 71.22 108.164 167.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.62 -34.87 79.28 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.609 -1.307 . . . . 72.12 112.574 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.8 87.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.437 1.895 . . . . 73.42 112.542 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -67.96 -39.54 83.36 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.524 1.13 . . . . 71.22 112.282 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.4 86.61 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.694 0.798 . . . . 72.44 112.902 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -69.61 -29.04 66.46 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.825 -1.172 . . . . 71.14 111.742 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.78 -43.03 98.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.038 1.496 . . . . 74.41 115.038 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.0 mt -63.43 -41.87 98.68 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 121.442 1.928 . . . . 74.33 112.343 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.89 -39.46 94.24 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.951 -1.093 . . . . 74.12 111.611 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.638 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.7 t70 -67.0 -41.23 87.07 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 115.085 1.513 . . . . 73.04 115.085 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.78 -44.8 91.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.454 1.101 . . . . 73.33 109.144 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -58.29 -50.64 72.9 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 123.396 0.678 . . . . 75.34 111.164 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.638 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.7 p80 -75.38 -27.98 59.33 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 117.715 -1.594 . . . . 75.21 109.38 -169.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.9 t -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.754 -1.566 . . . . 73.04 111.298 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.46 ' HA ' HG23 ' A' ' 100' ' ' VAL . 14.6 m -66.47 -32.61 74.09 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.505 1.298 . . . . 55.52 114.505 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.61 -24.71 66.87 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.727 1.211 . . . . 75.42 112.414 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -75.23 -40.17 59.27 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.212 1.805 . . . . 72.51 110.019 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 97' ' ' CYS . 26.1 m -96.24 -29.04 3.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.441 0.696 . . . . 75.02 111.378 -164.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.86 155.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 122.586 1.184 . . . . 75.14 113.583 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.9 m -66.75 123.52 20.34 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.827 -1.17 . . . . 73.13 111.682 164.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.41 132.14 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 0 C-N-CA 128.536 2.734 . . . . 70.14 103.729 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 t -112.64 128.15 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 106.265 -1.754 . . . . 75.23 106.265 177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.6 91.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.37 1.248 . . . . 64.11 114.37 171.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.75 -39.89 95.38 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.052 1.741 . . . . 53.23 113.567 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -130.13 98.6 20.91 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 117.619 -1.181 . . . . 72.22 109.212 -160.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.51 -13.9 38.5 Favored 'Trans proline' 0 C--N 1.326 -0.606 0 CA-C-N 123.908 2.432 . . . . 72.24 112.777 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.5 m -70.21 -44.81 67.87 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.999 1.319 . . . . 62.34 110.924 -174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.31 95.06 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.963 -1.086 . . . . 72.43 111.925 171.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.5 m -56.62 -46.55 80.87 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.267 0.485 . . . . 73.22 111.687 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.79 -48.42 71.83 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.61 -1.307 . . . . 70.23 113.805 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.18 79.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.223 1.409 . . . . 74.3 112.293 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -62.62 -41.38 98.98 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.481 0.712 . . . . 70.42 109.843 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.05 -46.18 88.7 Favored 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 121.278 -0.889 . . . . 65.03 112.544 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.85 99.66 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.576 1.15 . . . . 73.13 110.926 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -73.05 -28.94 62.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.294 -0.412 . . . . 73.11 110.832 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -69.79 -46.77 65.02 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 120.602 -1.311 . . . . 51.31 113.556 167.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -55.11 -47.63 74.72 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.073 1.509 . . . . 73.23 115.073 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.0 ttpp -62.78 -32.0 73.08 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-O 122.214 1.006 . . . . 75.13 111.075 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.03 99.84 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 122.688 1.232 . . . . 51.44 112.516 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.64 -46.83 71.32 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.164 1.786 . . . . 63.23 113.596 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' A' ' 120' ' ' LYS . 18.7 pt -67.29 -23.35 30.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 O-C-N 119.117 -2.24 . . . . 73.43 114.305 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.5 -42.33 98.64 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 124.717 1.207 . . . . 74.03 111.563 169.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -77.82 -23.01 49.16 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.286 0.847 . . . . 74.23 113.286 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.3 mt -66.64 153.97 41.75 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 127.544 2.338 . . . . 74.45 115.32 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.29 -0.12 48.23 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.121 1.368 . . . . 74.52 111.874 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 16.3 p-90 -132.64 155.64 48.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 106.81 -1.552 . . . . 74.23 106.81 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.82 119.09 39.95 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-O 118.455 -0.783 . . . . 73.34 111.202 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.1 152.76 67.68 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.52 2.146 . . . . 74.24 109.028 157.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -84.82 168.73 14.84 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 106.507 -1.664 . . . . 75.41 106.507 172.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -32.76 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.299 -1.5 . . . . 73.04 112.542 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.18 -39.93 88.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.582 0.753 . . . . 74.3 112.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -45.27 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 126.619 1.967 . . . . 75.11 112.152 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.55 82.99 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.329 0.862 . . . . 73.44 113.329 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.2 -30.01 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 C-N-CA 118.751 -1.18 . . . . 75.21 108.103 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.75 99.81 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 120.62 -0.8 . . . . 74.31 114.161 -172.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.53 -37.03 86.14 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.989 1.395 . . . . 75.42 113.629 174.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.83 -51.88 62.7 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.519 1.127 . . . . 62.41 112.688 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 56' ' ' ALA . 24.7 mt -68.27 -41.51 80.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.316 -1.311 . . . . 75.4 111.437 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.33 87.81 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 119.883 -1.761 . . . . 54.1 114.339 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.53 28.13 3.93 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.805 -1.184 . . . . 73.44 112.014 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.469 HG21 ' CE1' ' A' ' 70' ' ' HIS . 13.4 t . . . . . 0 C--O 1.264 1.841 0 O-C-N 119.508 -1.995 . . . . 65.32 113.792 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.518 2.95 0 N-CA-C 115.525 1.676 . . . . 71.44 115.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -62.68 -42.03 99.41 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.729 -1.232 . . . . 75.03 113.079 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.68 3.64 43.89 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 114.453 1.279 . . . . 72.5 114.453 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -102.26 -49.99 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 C-N-CA 124.294 1.038 . . . . 73.24 108.442 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.34 -31.79 72.3 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.531 1.308 . . . . 74.35 114.531 -153.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -146.04 152.64 39.67 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 105.547 -2.019 . . . . 73.41 105.547 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -61.3 -35.15 76.55 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.275 1.213 . . . . 74.03 114.275 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 tpt -133.07 132.98 42.39 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 106.065 -1.828 . . . . 62.01 106.065 162.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -115.61 122.48 45.75 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.214 -1.402 . . . . 74.22 107.214 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -123.82 123.74 67.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 107.828 -1.175 . . . . 74.33 107.828 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -65.89 -37.94 87.46 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.124 1.37 . . . . 72.31 113.507 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.66 -38.39 78.06 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 127.631 2.372 . . . . 72.31 112.693 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.14 -19.72 64.84 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 118.002 2.593 . . . . 61.12 118.002 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -56.61 -45.18 99.96 Favored Pre-proline 0 C--N 1.35 0.621 0 CA-C-O 116.072 -1.918 . . . . 74.41 115.692 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.03 -27.87 42.04 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 CA-C-N 125.713 3.076 . . . . 75.31 114.303 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -67.25 -42.83 83.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.465 1.939 . . . . 72.33 113.342 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.55 -31.79 67.39 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 72.24 112.191 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.39 93.56 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.075 -1.016 . . . . 74.23 112.682 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.48 -0.66 18.23 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.91 1.284 . . . . 50.33 113.709 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.9 -49.04 7.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.638 -1.914 . . . . 74.55 110.123 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.41 -37.85 36.2 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.256 -1.527 . . . . 74.44 114.321 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.7 -37.95 80.27 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 128.237 2.615 . . . . 74.43 110.265 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.68 -7.8 53.81 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.09 -1.414 . . . . 72.54 109.233 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 56.5 45.38 22.55 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 127.623 2.369 . . . . 75.23 113.547 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.92 158.77 41.48 Favored Pre-proline 0 C--N 1.349 0.576 0 C-N-CA 124.215 1.006 . . . . 64.24 109.004 -174.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.68 167.13 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.73 2.287 . . . . 74.14 113.836 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.98 -35.58 75.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.693 2.797 . . . . 60.4 109.126 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.22 -30.52 66.56 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 127.652 2.381 . . . . 74.11 114.38 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 m -99.58 -26.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 O-C-N 120.481 -1.387 . . . . 64.31 111.686 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -65.1 -29.53 70.4 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 118.474 -2.641 . . . . 62.12 112.173 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.55 -16.82 59.52 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 121.267 -0.896 . . . . 72.55 112.719 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -67.54 -29.15 68.47 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.0 -1.063 . . . . 72.22 111.427 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.36 -42.39 98.63 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.136 1.775 . . . . 75.42 114.612 166.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.07 -43.2 93.0 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.231 -1.543 . . . . 64.01 113.166 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -66.13 -25.02 66.78 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.297 1.839 . . . . 61.52 114.419 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.07 -42.09 79.97 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 126.776 2.031 . . . . 74.24 112.345 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -72.03 -18.37 61.96 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 124.684 1.193 . . . . 70.02 112.917 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.58 135.77 57.05 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.181 1.392 . . . . 73.41 110.428 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -65.51 117.02 7.4 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.384 -1.447 . . . . 73.31 114.343 -160.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.22 85.62 Favored Glycine 0 C--N 1.357 1.703 0 C-N-CA 125.023 1.297 . . . . 61.31 114.97 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.22 135.25 50.29 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.134 1.467 . . . . 74.22 113.443 -166.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -88.16 81.31 7.4 Favored 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 120.678 -1.264 . . . . 74.0 113.878 -165.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mm -94.25 119.35 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.833 0.825 . . . . 71.13 109.26 173.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.4 p -123.59 -4.82 8.19 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.959 1.304 . . . . 74.45 111.622 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -83.79 134.61 34.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.167 0.987 . . . . 74.13 112.439 -162.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.02 -31.99 70.47 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 125.618 1.567 . . . . 72.32 113.756 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.9 -30.47 70.91 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 114.559 1.318 . . . . 63.52 114.559 171.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 118.107 0.412 . . . . 75.05 111.326 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.72 97.15 Favored Glycine 0 CA--C 1.487 -1.668 0 O-C-N 120.533 -1.354 . . . . 73.23 112.783 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.5 m -63.77 -40.42 96.65 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.88 0.872 . . . . 74.24 111.256 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.14 -42.88 85.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.128 -0.983 . . . . 71.42 111.712 171.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.71 -45.69 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 120.633 -1.292 . . . . 71.32 112.27 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.65 -28.11 67.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 114.661 1.356 . . . . 64.4 114.661 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.5 t -62.58 -42.88 99.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.84 1.656 . . . . 74.11 112.187 174.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -38.67 85.87 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 121.301 1.864 . . . . 73.12 113.739 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -56.37 -36.23 68.59 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 126.311 1.844 . . . . 73.54 115.076 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.89 -16.0 52.07 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.849 1.055 . . . . 73.23 113.849 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 67.4 mttm -116.14 45.49 1.75 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.414 -1.429 . . . . 61.14 112.167 -169.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD21 HD12 ' A' ' 62' ' ' LEU . 86.9 mt -91.66 -13.13 32.32 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 124.078 1.894 . . . . 75.42 110.263 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.27 -34.05 76.83 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 129.287 3.035 . . . . 72.32 110.473 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 1.2 mt -68.18 -29.83 68.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 128.595 2.758 . . . . 73.43 110.89 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD12 HD21 ' A' ' 59' ' ' LEU . 61.1 mt -70.41 161.05 31.21 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.413 2.285 . . . . 64.22 110.636 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.06 138.09 45.69 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 120.378 -1.451 . . . . 73.34 112.778 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.47 -28.21 69.66 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.801 -1.187 . . . . 65.45 113.442 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -57.24 -37.44 72.29 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.095 1.758 . . . . 72.42 113.513 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.4 ptm -76.69 -14.77 59.93 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.857 -1.152 . . . . 70.21 112.317 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 m120 69.1 24.24 6.2 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 130.426 3.49 . . . . 75.21 117.002 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -79.01 123.78 27.63 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 119.562 -1.961 . . . . 74.24 112.238 179.562 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -141.01 158.61 43.69 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.344 -0.848 . . . . 75.43 109.258 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -67.11 132.33 47.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.802 0.841 . . . . 75.3 109.491 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.8 -13.49 42.57 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 121.1 -1.0 . . . . 74.51 114.273 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -90.47 15.35 10.89 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.795 1.638 . . . . 74.32 111.065 -171.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.8 76.15 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 127.43 2.292 . . . . 72.13 113.473 -169.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.3 mtt -59.9 -41.67 92.13 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.615 -1.303 . . . . 74.24 112.579 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.67 -42.45 24.73 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 123.863 1.792 . . . . 72.41 115.179 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 26.9 t80 -59.04 -44.83 91.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 111.841 -2.436 . . . . 74.3 113.014 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.32 85.28 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.751 -1.218 . . . . 53.44 113.138 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.9 mtm -62.93 -36.65 84.13 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.708 1.203 . . . . 73.03 113.432 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -60.87 -27.57 68.22 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.875 -1.141 . . . . 74.41 112.361 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 42.8 m170 -93.81 11.85 27.85 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.081 1.352 . . . . 74.12 114.236 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.44 2.59 63.53 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 120.727 -1.233 . . . . 73.34 114.638 169.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.92 144.5 56.2 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.646 1.223 . . . . 53.21 111.204 162.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.86 172.05 13.25 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.768 -1.833 . . . . 74.03 108.581 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -64.91 -31.81 73.22 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.452 -1.405 . . . . 75.35 112.95 -171.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.24 71.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.388 1.475 . . . . 73.34 112.408 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.05 -40.36 96.12 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.949 2.1 . . . . 72.21 113.102 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.59 88.86 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.828 1.251 . . . . 73.22 112.984 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -77.52 -27.82 51.87 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.683 0.793 . . . . 75.24 112.235 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -60.03 -42.26 94.01 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 114.764 1.394 . . . . 75.35 114.764 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.57 -41.64 99.06 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 120.929 1.695 . . . . 75.22 112.491 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.69 -39.52 93.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 120.99 -1.069 . . . . 72.45 111.684 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.624 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 33.4 t70 -66.24 -40.98 90.62 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.325 1.45 . . . . 74.32 114.858 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.94 -44.26 90.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 124.401 1.08 . . . . 75.03 109.843 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.14 -50.41 73.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 123.484 0.714 . . . . 72.01 111.13 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.624 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.2 p80 -73.53 -28.96 62.16 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 123.087 1.422 . . . . 75.43 109.585 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 t -65.53 -41.32 93.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.325 -1.761 . . . . 53.15 112.295 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.441 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.6 m -68.6 -35.65 77.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.543 1.312 . . . . 74.45 114.543 173.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.34 -29.42 68.88 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.79 1.236 . . . . 71.34 113.049 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -85.94 -19.48 30.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 122.773 0.429 . . . . 72.44 112.023 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -101.09 -31.2 3.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 O-C-N 121.402 -0.811 . . . . 71.31 111.314 -175.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.36 156.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.857 1.429 . . . . 73.54 114.857 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.5 m -68.35 126.68 30.37 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.956 -1.09 . . . . 71.41 112.315 164.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 68.8 mt -112.11 132.76 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 129.131 2.972 . . . . 73.22 103.709 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -114.19 128.34 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 105.81 -1.922 . . . . 73.15 105.81 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.43 90.02 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.44 1.274 . . . . 74.23 114.44 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.46 -38.39 90.87 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.462 1.505 . . . . 71.43 114.203 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -127.58 95.88 34.29 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-O 117.772 -1.109 . . . . 73.03 108.658 -162.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 -13.84 38.51 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 CA-C-N 123.772 2.383 . . . . 63.21 112.831 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.92 -44.18 70.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.004 1.322 . . . . 75.44 110.843 -175.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' CA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.77 -44.79 96.19 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 121.023 -1.048 . . . . 73.04 111.325 173.716 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 66.9 m -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.711 0.263 . . . . 74.24 111.711 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.7 tpt -65.92 -48.38 71.6 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.718 -1.239 . . . . 73.2 113.58 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -45.18 82.15 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.134 1.374 . . . . 72.43 112.333 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.67 -41.61 99.18 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.884 0.874 . . . . 75.14 109.801 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.31 -46.48 86.51 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.288 -0.882 . . . . 74.02 112.323 175.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.18 98.0 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.726 1.21 . . . . 74.11 111.112 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.2 ptm -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.1 -0.476 . . . . 74.42 111.051 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 47.9 t -69.31 -46.62 66.67 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 120.028 1.285 . . . . 75.03 113.468 167.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -55.19 -48.37 73.91 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 115.129 1.529 . . . . 72.24 115.129 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -63.85 -29.14 70.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-O 121.732 0.777 . . . . 63.32 111.916 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.36 96.71 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 122.544 1.164 . . . . 65.03 112.044 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.29 -46.32 73.94 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.645 1.578 . . . . 71.33 114.172 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.422 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.2 pt -67.26 -21.03 27.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 O-C-N 118.718 -2.489 . . . . 71.32 115.472 172.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -63.94 -39.78 94.93 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.174 -0.954 . . . . 74.21 111.601 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -77.45 -25.07 50.24 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.12 0.785 . . . . 70.01 113.12 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.8 mt -65.98 151.54 46.58 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.362 2.265 . . . . 75.32 115.282 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.69 0.08 45.0 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.744 -1.571 . . . . 71.41 112.789 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -132.63 154.87 49.65 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 105.791 -1.929 . . . . 74.13 105.791 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.13 38.18 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.448 -0.787 . . . . 75.31 111.147 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.55 153.57 65.2 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.358 2.039 . . . . 73.5 110.048 158.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.5 p -84.4 169.64 14.38 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 106.927 -1.508 . . . . 75.34 106.927 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -35.63 77.57 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.349 -1.47 . . . . 75.11 111.809 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -62.57 -26.06 68.39 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.367 1.067 . . . . 75.31 113.475 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.81 -46.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 126.58 1.952 . . . . 74.44 110.958 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.54 85.68 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.249 -1.532 . . . . 54.44 114.039 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.17 -29.28 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 O-C-N 120.722 -1.236 . . . . 72.22 108.24 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.02 -44.19 96.42 Favored Glycine 0 C--N 1.359 1.842 0 CA-C-O 119.779 -0.456 . . . . 74.53 113.237 -174.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -37.78 84.96 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 118.691 1.245 . . . . 71.42 113.447 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.53 -51.34 65.9 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.628 1.171 . . . . 72.13 112.827 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 68.2 mt -68.38 -38.43 81.35 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.457 -1.247 . . . . 75.03 111.754 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.451 -1.406 . . . . 71.44 114.521 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -96.67 33.36 1.86 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.2 -0.937 . . . . 72.54 111.74 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.261 1.676 0 O-C-N 119.93 -1.731 . . . . 73.22 114.472 178.704 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.519 2.996 0 N-CA-C 115.295 1.591 . . . . 74.54 115.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -66.08 -45.24 81.97 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.73 1.212 . . . . 74.5 112.073 -177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.93 -2.55 37.38 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.545 1.538 . . . . 75.23 114.985 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.24 -48.57 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 114.421 -1.263 . . . . 74.32 109.855 166.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.87 -42.35 63.75 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.747 -1.115 . . . . 73.53 111.754 -151.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -131.08 139.48 49.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 103.665 -2.717 . . . . 74.04 103.665 167.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.1 133.29 50.42 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.914 0.886 . . . . 74.24 112.148 -173.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.3 mtt -134.36 150.95 50.96 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.899 -0.778 . . . . 75.3 108.899 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -143.74 153.34 42.32 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 104.467 -2.42 . . . . 74.41 104.467 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -144.72 142.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 108.231 -1.026 . . . . 71.34 108.231 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -87.06 -179.23 6.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.849 1.26 . . . . 74.15 111.553 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -79.92 53.1 1.61 Allowed 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.931 -1.73 . . . . 74.21 113.556 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.53 -15.73 55.97 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 127.73 2.412 . . . . 74.03 114.525 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -58.38 -45.69 99.68 Favored Pre-proline 0 C--N 1.348 0.509 0 CA-C-O 116.366 -1.778 . . . . 74.4 113.649 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.49 -25.53 35.14 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 CA-C-N 125.088 2.853 . . . . 75.42 114.472 169.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.6 -42.61 51.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.602 1.092 . . . . 71.35 111.225 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.9 -32.05 65.08 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.319 -0.863 . . . . 72.05 111.722 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.75 96.4 Favored 'General case' 0 CA--C 1.503 -0.843 0 O-C-N 121.478 -0.764 . . . . 72.31 112.618 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.8 t -61.06 -46.03 92.32 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 108.282 -1.007 . . . . 61.12 108.282 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.15 -43.3 92.07 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.02 -1.675 . . . . 65.23 112.566 -172.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.63 -38.66 54.33 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 114.356 1.243 . . . . 70.43 114.356 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.63 -39.23 83.62 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 126.085 1.754 . . . . 75.12 110.653 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 15.6 mt -84.52 -11.97 55.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.215 -0.902 . . . . 74.12 110.111 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.6 47.4 13.29 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.852 2.061 . . . . 70.04 112.998 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.26 157.56 50.83 Favored Pre-proline 0 C--N 1.348 0.502 0 C-N-CA 124.698 1.199 . . . . 74.21 108.427 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 165.65 30.93 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.206 1.937 . . . . 62.42 113.138 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.22 -25.68 68.18 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 127.584 2.354 . . . . 73.41 110.257 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.86 69.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.378 1.871 . . . . 73.12 114.179 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.34 -24.92 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 120.763 -1.211 . . . . 74.41 111.233 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.85 -29.88 69.91 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 118.569 -2.582 . . . . 74.42 111.112 171.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -77.13 -16.64 59.09 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 121.319 -0.863 . . . . 71.13 112.163 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -67.55 -28.74 68.05 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.864 -1.148 . . . . 74.03 111.444 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.811 2.045 . . . . 75.4 114.367 166.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.54 -42.91 98.38 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.234 -1.541 . . . . 72.45 112.785 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -65.52 -29.47 70.11 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 126.549 1.939 . . . . 71.14 114.144 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.83 -40.3 72.63 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 127.593 2.357 . . . . 72.44 112.667 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -78.71 -8.82 59.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 121.531 -0.731 . . . . 72.41 112.751 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -63.72 130.79 45.66 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.971 -1.08 . . . . 70.14 110.011 165.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.73 118.49 9.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.503 -1.373 . . . . 74.14 112.535 -162.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 1.44 85.94 Favored Glycine 0 C--N 1.353 1.521 0 C-N-CA 124.299 0.952 . . . . 62.12 115.467 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -68.13 136.03 53.06 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.303 1.551 . . . . 73.22 112.555 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -86.6 80.26 8.64 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.694 -1.254 . . . . 74.33 113.352 -163.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mm -99.33 116.25 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.519 -1.289 . . . . 65.23 107.519 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -125.83 7.65 7.44 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.488 1.115 . . . . 74.11 110.402 -172.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -88.09 132.5 34.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.152 0.981 . . . . 74.24 111.682 -164.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 126.259 1.824 . . . . 75.41 113.57 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -62.44 -31.77 72.53 Favored 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 115.637 1.717 . . . . 71.1 115.637 170.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.63 91.43 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 121.373 0.606 . . . . 62.22 110.911 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -39.93 97.6 Favored Glycine 0 CA--C 1.487 -1.684 0 O-C-N 120.773 -1.204 . . . . 72.53 112.678 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.67 -41.33 98.18 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.706 0.802 . . . . 74.04 111.19 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 p -68.88 -41.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 121.081 -1.012 . . . . 75.55 111.933 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.92 -46.02 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 O-C-N 119.858 -1.776 . . . . 72.42 112.294 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.57 -29.09 68.37 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.441 1.645 . . . . 74.14 115.441 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.98 -41.99 99.71 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 127.661 2.384 . . . . 73.3 112.904 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.19 -35.62 75.78 Favored 'General case' 0 C--N 1.366 1.322 0 CA-C-N 120.05 1.295 . . . . 70.22 113.852 174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 140' ' ' LEU . . . -56.5 -38.33 71.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.988 1.477 . . . . 73.42 114.988 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.95 -40.78 75.23 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 122.454 1.121 . . . . 73.41 112.521 169.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 69.1 mttm -89.24 42.68 1.1 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.155 1.782 . . . . 74.41 113.807 -170.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD21 HD12 ' A' ' 62' ' ' LEU . 85.1 mt -91.54 -16.55 27.0 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 123.736 1.731 . . . . 75.51 109.767 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -62.13 -34.6 76.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 128.105 2.562 . . . . 73.31 110.115 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -67.58 -28.86 68.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.53 2.732 . . . . 74.23 111.901 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD12 HD21 ' A' ' 59' ' ' LEU . 77.7 mt -69.88 157.6 37.11 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.599 1.959 . . . . 70.12 112.472 -173.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.4 131.2 43.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 121.031 -1.043 . . . . 71.4 111.552 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -60.81 -25.98 66.97 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.23 1.412 . . . . 74.5 113.974 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.5 -34.95 65.06 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 125.309 1.444 . . . . 64.53 113.43 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -76.09 -21.9 56.2 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.746 -1.221 . . . . 74.42 112.401 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 63.3 37.55 10.93 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.594 3.157 . . . . 72.54 117.921 -173.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.79 125.18 33.77 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.098 -1.626 . . . . 72.43 110.704 173.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.13 165.45 26.05 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 118.106 -1.437 . . . . 73.24 107.422 159.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.13 131.63 46.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.979 -1.701 . . . . 75.41 113.632 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.3 -12.0 70.73 Favored Glycine 0 C--N 1.348 1.22 0 C-N-CA 125.403 1.478 . . . . 74.24 116.718 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 19.53 20.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 120.841 2.321 . . . . 75.42 112.916 -160.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.87 66.96 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 127.486 2.314 . . . . 72.1 113.803 -168.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mtt -60.33 -38.76 84.76 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.994 1.27 . . . . 75.22 112.93 -175.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.71 -44.71 32.32 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.234 0.827 . . . . 73.43 113.234 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 34.0 t80 -60.43 -44.09 96.13 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.662 2.385 . . . . 74.11 114.291 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.22 81.78 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 124.352 1.061 . . . . 74.04 113.1 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.4 -35.78 81.54 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 114.234 1.198 . . . . 72.55 114.234 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.94 -28.45 68.97 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.842 -1.161 . . . . 72.43 112.208 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.577 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 37.7 m170 -94.84 12.66 27.3 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 125.636 1.574 . . . . 72.53 114.171 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.61 0.64 64.47 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 120.948 -1.095 . . . . 64.15 114.337 168.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 143.39 55.85 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.513 1.157 . . . . 74.3 110.812 162.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -83.03 173.44 11.76 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.549 -1.969 . . . . 71.4 108.301 169.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.34 -32.23 73.75 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.248 -1.533 . . . . 71.42 112.864 -172.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.13 75.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.783 1.633 . . . . 71.33 112.194 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.23 -40.73 96.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.994 1.718 . . . . 73.44 112.974 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.36 89.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.292 1.037 . . . . 74.12 112.699 176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.11 -28.7 61.48 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.629 0.772 . . . . 73.51 111.819 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.8 -42.94 98.62 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 115.139 1.533 . . . . 72.13 115.139 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.13 -41.41 99.31 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 121.33 1.877 . . . . 74.53 112.275 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.09 -40.1 95.49 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.915 -1.116 . . . . 64.2 111.923 172.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.02 -42.6 94.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.294 1.438 . . . . 74.11 112.78 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.5 -45.03 94.2 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 124.525 1.13 . . . . 74.41 109.974 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.38 -55.39 35.35 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 121.865 -0.522 . . . . 72.21 111.638 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -70.93 -25.34 62.71 Favored 'General case' 0 N--CA 1.439 -1.023 0 O-C-N 120.677 -1.264 . . . . 73.43 112.054 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.76 -42.21 91.16 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 122.846 1.307 . . . . 73.0 112.666 170.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.441 ' HA ' HG23 ' A' ' 100' ' ' VAL . 20.9 m -68.05 -34.7 76.94 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.702 -1.249 . . . . 61.54 114.105 174.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.37 -29.07 68.69 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.092 1.357 . . . . 75.11 113.003 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -19.29 29.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.198 0.444 . . . . 75.4 112.198 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.54 -30.29 3.24 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 121.4 -0.813 . . . . 64.42 111.29 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.09 155.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 N-CA-C 114.876 1.436 . . . . 74.51 114.876 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -66.76 127.02 30.85 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 121.049 -1.032 . . . . 63.43 112.428 164.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -112.13 133.03 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.61 0 C-N-CA 129.445 3.098 . . . . 74.54 103.222 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -112.34 129.54 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.478 -2.045 . . . . 70.03 105.478 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.27 98.95 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 113.46 0.911 . . . . 74.41 113.46 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -77.22 -24.02 51.33 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.058 1.873 . . . . 71.35 116.058 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -133.91 97.78 15.08 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-O 117.869 -1.063 . . . . 71.42 109.385 -168.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -68.77 -13.59 37.29 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 CA-C-N 123.741 2.372 . . . . 74.13 112.704 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.2 m -70.4 -45.21 66.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 124.82 1.248 . . . . 64.42 111.188 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.405 1.082 . . . . 74.01 111.938 172.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.8 m -55.03 -47.51 74.63 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 123.823 0.849 . . . . 73.24 111.178 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -46.45 62.46 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.36 -1.463 . . . . 73.41 113.862 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.81 92.2 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.021 -1.675 . . . . 75.3 112.607 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.3 -41.61 98.65 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.725 0.81 . . . . 74.24 109.849 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.75 -47.03 85.3 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 121.345 -0.847 . . . . 74.34 112.422 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.05 98.42 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.342 1.457 . . . . 71.52 110.432 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.92 -31.28 68.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 119.384 -0.341 . . . . 75.44 110.59 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.8 t -70.11 -46.44 64.8 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 120.797 -1.189 . . . . 61.13 113.556 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.65 -47.77 76.1 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 114.751 1.389 . . . . 71.3 114.751 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.6 tptt -61.56 -33.17 73.4 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.804 1.241 . . . . 73.41 112.142 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.98 99.73 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.495 1.141 . . . . 64.22 112.501 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -67.28 -47.13 71.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.032 1.333 . . . . 72.24 114.239 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.452 HG12 ' HA ' ' A' ' 120' ' ' LYS . 17.4 pt -67.61 -22.41 28.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 O-C-N 118.989 -2.32 . . . . 72.24 114.359 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -42.88 99.67 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.918 1.287 . . . . 72.42 111.627 168.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -78.22 -23.46 47.43 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.483 0.92 . . . . 74.14 113.483 -171.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.0 mt -65.95 153.19 42.75 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.326 2.25 . . . . 75.21 115.138 -177.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.13 -0.06 50.5 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.026 1.33 . . . . 64.45 112.066 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.2 154.29 48.57 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 106.198 -1.779 . . . . 74.34 106.198 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.31 117.49 38.62 Favored Pre-proline 0 N--CA 1.445 -0.698 0 CA-C-O 118.525 -0.75 . . . . 70.52 111.213 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.61 148.03 65.13 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.26 1.973 . . . . 72.22 109.804 158.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.28 167.84 19.1 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.754 0.788 . . . . 73.32 109.112 164.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.57 -34.24 75.25 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.56 -1.337 . . . . 73.13 111.382 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -62.14 -26.49 68.35 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 123.887 0.875 . . . . 74.34 113.129 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -45.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 126.65 1.98 . . . . 70.12 111.588 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.32 82.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.49 -1.381 . . . . 71.31 114.078 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.1 -28.47 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 120.655 -1.278 . . . . 73.02 108.343 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.0 96.42 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 119.413 -0.659 . . . . 75.54 113.257 -176.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -35.19 77.56 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.161 1.481 . . . . 75.3 113.039 177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.76 -55.97 24.48 Favored 'General case' 0 CA--C 1.478 -1.806 0 O-C-N 121.462 -0.774 . . . . 74.51 112.686 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 76.2 mt -66.98 -37.13 83.69 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.578 -0.737 . . . . 73.24 112.737 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.04 94.81 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.848 -1.158 . . . . 74.53 114.012 173.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 121.422 -0.799 . . . . 72.22 111.294 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--O 1.259 1.597 0 N-CA-C 115.467 1.655 . . . . 74.05 115.467 -176.853 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 CA--C 1.512 -0.623 0 N-CA-C 113.992 0.728 . . . . 52.23 113.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.2 ttm -79.98 -41.52 25.76 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 118.83 0.741 . . . . 73.42 111.222 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -69.79 -33.13 71.95 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.163 0.985 . . . . 73.44 111.211 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.38 96.97 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.55 1.14 . . . . 73.31 112.151 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.5 t -60.15 -46.36 89.95 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 108.591 -0.892 . . . . 51.02 108.591 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.6 -42.79 93.39 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.03 -1.669 . . . . 73.5 112.517 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.92 -38.0 54.29 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.369 1.248 . . . . 75.24 114.369 175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.91 -39.16 80.67 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.67 1.988 . . . . 64.23 110.887 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.8 mt -85.21 -11.48 54.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.403 -0.817 . . . . 62.11 109.894 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.52 47.05 14.02 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.848 2.059 . . . . 72.23 112.907 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.38 157.0 50.41 Favored Pre-proline 0 C--N 1.347 0.493 0 C-N-CA 124.337 1.055 . . . . 53.35 109.171 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -75.33 166.66 28.36 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.455 2.104 . . . . 72.25 113.574 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -64.33 -24.51 67.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 128.296 2.638 . . . . 75.41 110.19 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.47 70.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 126.256 1.822 . . . . 43.25 113.613 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.3 m -102.1 -21.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 O-C-N 120.325 -1.485 . . . . 74.14 112.201 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -69.08 -32.29 71.63 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.307 -1.496 . . . . 72.22 110.75 167.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -75.72 -17.94 59.76 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.611 -1.305 . . . . 74.23 112.612 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.11 -39.8 87.43 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.006 -1.059 . . . . 73.1 112.727 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -59.74 -40.46 88.16 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 126.502 1.921 . . . . 73.51 115.285 167.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -62.59 -43.9 97.65 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 120.183 -1.573 . . . . 53.35 113.542 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.98 -29.49 70.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.652 1.981 . . . . 72.01 114.545 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--N 1.344 0.355 0 C-N-CA 128.017 2.527 . . . . 75.52 112.727 179.412 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 121.019 0.438 . . . . 71.32 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -85.59 131.49 34.35 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.882 0.873 . . . . 74.22 111.806 -163.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.84 -32.58 70.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.06 1.744 . . . . 74.0 113.354 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.7 mt-10 -62.64 -31.35 72.19 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.874 1.805 . . . . 75.14 115.874 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.61 89.05 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.738 0.699 . . . . 72.54 111.11 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.05 96.28 Favored Glycine 0 CA--C 1.487 -1.69 0 O-C-N 120.5 -1.375 . . . . 64.43 112.839 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.49 -41.56 98.54 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.112 0.965 . . . . 73.4 111.021 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.6 p -68.3 -40.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.225 -0.922 . . . . 72.3 112.178 171.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.78 -45.79 97.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 O-C-N 119.787 -1.821 . . . . 73.31 112.526 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.22 -29.1 67.86 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.999 1.481 . . . . 70.11 114.999 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.3 t -63.0 -42.47 99.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.583 2.353 . . . . 52.0 113.326 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.39 -37.56 81.2 Favored 'General case' 0 C--N 1.368 1.372 0 CA-C-N 120.366 1.439 . . . . 63.4 113.762 175.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.3 -37.29 69.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.332 1.605 . . . . 73.31 115.332 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -40.02 73.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 122.211 1.005 . . . . 64.32 112.857 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.92 38.48 1.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.255 1.822 . . . . 64.23 112.303 -168.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.411 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.5 mt -85.97 -16.89 36.9 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 123.649 1.69 . . . . 63.31 109.501 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -61.15 -34.03 74.36 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 128.183 2.593 . . . . 75.12 110.024 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -28.27 67.32 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 129.13 2.972 . . . . 55.31 111.901 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 68' ' ' LEU . 72.5 mt -69.45 159.85 32.49 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.873 2.069 . . . . 73.5 111.582 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -74.94 139.56 43.11 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.726 -1.234 . . . . 72.02 109.141 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.59 -27.32 67.64 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.983 1.105 . . . . 73.03 113.983 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -58.59 -34.22 70.84 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.692 -1.255 . . . . 73.15 113.699 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ptp -80.31 -11.19 59.74 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.795 -1.191 . . . . 64.44 112.395 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.54 23.33 11.8 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.204 3.002 . . . . 70.23 115.62 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -81.74 123.62 28.91 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 119.715 -1.866 . . . . 72.02 111.414 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -141.29 152.65 44.66 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.816 -1.179 . . . . 54.03 107.816 166.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -67.81 129.54 40.22 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.571 1.177 . . . . 73.54 113.503 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.65 -8.81 79.23 Favored Glycine 0 C--N 1.347 1.165 0 C-N-CA 124.545 1.069 . . . . 43.3 114.757 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -102.54 22.38 13.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.038 -1.272 . . . . 73.45 111.441 -170.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.15 81.84 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 114.533 1.309 . . . . 71.12 114.533 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.0 mtt -61.36 -40.51 94.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.436 1.016 . . . . 71.21 112.305 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -73.2 -44.61 59.46 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.575 0.75 . . . . 73.15 112.724 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.07 -47.5 85.61 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 126.656 1.983 . . . . 75.33 113.331 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.89 93.52 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 121.044 -1.035 . . . . 75.31 113.074 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.0 mtp -63.49 -36.84 85.09 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.693 1.197 . . . . 52.44 113.63 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.37 -27.74 68.73 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.865 -1.147 . . . . 72.12 112.485 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -94.23 13.59 22.89 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.738 1.615 . . . . 74.24 114.556 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.05 0.89 63.33 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.969 -1.082 . . . . 22.43 114.284 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 142.33 57.28 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 118.394 1.097 . . . . 55.21 111.329 163.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.05 169.38 16.77 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.391 -2.068 . . . . 74.12 107.803 168.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.78 -34.31 78.03 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.568 -1.333 . . . . 70.12 112.798 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.69 90.09 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.628 1.971 . . . . 54.4 112.346 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.98 -35.76 66.94 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 121.123 -0.986 . . . . 63.12 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.65 85.0 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.897 0.879 . . . . 74.43 112.909 175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.26 -28.23 66.14 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.776 -1.203 . . . . 63.32 112.394 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -42.43 97.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 115.014 1.487 . . . . 71.51 115.014 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 135' ' ' ALA . 42.2 mt -63.43 -41.24 98.67 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 121.748 2.067 . . . . 65.35 112.644 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.07 -40.87 97.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.354 -0.841 . . . . 73.14 111.766 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.75 -42.59 97.81 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.573 -1.329 . . . . 74.52 112.328 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -44.75 93.16 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 C-N-CA 124.363 1.065 . . . . 62.31 110.406 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -58.47 -56.79 17.56 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 121.777 -0.577 . . . . 70.4 111.935 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -68.58 -29.35 67.87 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 121.27 -0.894 . . . . 74.54 110.824 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 t -66.74 -40.21 88.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-O 122.518 1.151 . . . . 74.31 113.336 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.461 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -68.32 -34.91 76.98 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.569 1.548 . . . . 65.24 114.452 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.26 -32.2 70.93 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.342 1.057 . . . . 71.43 111.347 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -83.66 -19.63 35.01 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.328 0.651 . . . . 54.11 111.797 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.2 m -100.48 -30.61 3.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.151 0 O-C-N 121.505 -0.747 . . . . 74.0 111.193 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.79 155.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 N-CA-C 114.64 1.348 . . . . 74.44 114.64 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.1 m -66.8 126.84 30.29 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.95 -1.094 . . . . 33.25 112.34 164.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 111' ' ' THR . 73.7 mt -112.63 132.78 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.641 0 C-N-CA 129.239 3.016 . . . . 73.13 103.675 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 t -114.41 128.69 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 N-CA-C 105.796 -1.928 . . . . 64.04 105.796 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.59 91.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.702 1.371 . . . . 75.42 114.702 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.14 -37.76 88.46 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.409 1.484 . . . . 73.53 114.593 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -127.5 92.93 41.9 Favored Pre-proline 0 C--N 1.348 0.52 0 CA-C-O 118.332 -0.842 . . . . 75.21 108.886 -162.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.12 -14.12 37.54 Favored 'Trans proline' 0 C--N 1.33 -0.404 0 C-N-CA 122.649 2.233 . . . . 64.4 112.609 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.55 -42.7 70.81 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.786 1.234 . . . . 55.34 110.575 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.88 95.74 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 121.272 -0.892 . . . . 70.13 111.09 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 103' ' ' ILE . 76.9 m -55.99 -46.29 78.73 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.72 0.267 . . . . 62.41 111.72 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.32 -48.75 69.31 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.743 -1.223 . . . . 73.52 113.929 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -44.66 82.63 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.388 1.475 . . . . 75.24 112.102 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.74 -42.01 99.46 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 123.73 0.812 . . . . 73.31 109.858 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.05 -47.23 83.88 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.569 -0.707 . . . . 74.53 112.422 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.77 97.55 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.605 1.162 . . . . 73.53 110.771 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -71.73 -29.61 64.71 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-O 119.205 -0.426 . . . . 73.24 110.51 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.78 -46.13 69.53 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 119.943 1.247 . . . . 54.31 113.365 167.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.9 t80 -54.49 -48.05 72.31 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.06 1.504 . . . . 71.14 115.06 172.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.647 ' HD2' HD11 ' A' ' 123' ' ' ILE . 11.1 mmmm -63.49 -29.32 70.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.754 -0.591 . . . . 71.03 112.367 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.12 97.94 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.658 1.218 . . . . 73.13 111.78 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.95 -46.17 68.86 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.113 1.153 . . . . 71.04 114.113 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.818 ' HA ' HD12 ' A' ' 126' ' ' LEU . 23.5 pt -67.01 -22.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 119.117 -2.239 . . . . 71.5 114.719 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.97 -39.98 94.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.452 1.101 . . . . 64.54 111.371 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -70.63 -28.81 65.11 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.139 0.975 . . . . 63.14 113.369 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.3 mt -68.42 152.89 44.77 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 126.947 2.099 . . . . 73.12 115.275 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.34 0.09 53.16 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.848 1.259 . . . . 62.2 111.872 -176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -130.81 155.26 47.0 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.206 -1.405 . . . . 73.3 107.206 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.78 119.54 41.0 Favored Pre-proline 0 N--CA 1.443 -0.779 0 CA-C-O 118.49 -0.767 . . . . 71.31 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.77 152.15 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.513 2.142 . . . . 73.45 109.345 156.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.0 p -89.8 169.76 10.99 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 107.039 -1.467 . . . . 64.23 107.039 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.41 -24.12 67.7 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.355 -1.466 . . . . 73.25 113.478 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 119.922 -1.736 . . . . 74.22 112.381 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.94 -43.03 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 C-N-CA 126.099 1.76 . . . . 73.13 113.553 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.45 -47.64 81.02 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.539 1.063 . . . . 72.35 112.581 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -35.91 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 121.504 -0.748 . . . . 71.34 110.047 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.19 99.71 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-O 119.018 -0.879 . . . . 72.25 114.022 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.3 mt-10 -65.12 -37.4 87.32 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.517 1.658 . . . . 74.12 113.661 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.0 mt -62.04 -51.33 68.41 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 113.655 0.983 . . . . 63.51 113.655 171.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 56' ' ' ALA . 37.4 mt -69.39 -40.64 77.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.498 -1.228 . . . . 73.4 111.829 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.72 94.57 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.183 -1.573 . . . . 61.33 113.554 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -96.7 32.82 1.97 Allowed 'General case' 0 C--N 1.352 0.675 0 O-C-N 121.304 -0.872 . . . . 72.01 111.374 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.261 1.681 0 O-C-N 120.006 -1.684 . . . . 61.31 114.414 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 CA-C-O 118.002 -0.916 . . . . 65.52 113.434 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 ttm -68.55 -44.24 74.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.255 1.389 . . . . 74.53 111.76 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.24 -33.99 72.31 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.13 0.972 . . . . 71.52 111.618 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.87 86.0 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.879 0.872 . . . . 65.42 111.773 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -71.68 -1.76 14.91 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 125.207 1.403 . . . . 73.11 114.561 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 -48.25 7.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 119.811 -1.806 . . . . 65.33 110.01 165.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.61 -35.22 30.33 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.636 -1.915 . . . . 75.24 114.593 -173.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.53 -38.16 77.18 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 128.325 2.65 . . . . 70.43 110.49 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.47 -9.19 51.0 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.224 -1.353 . . . . 64.51 109.187 -173.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.5 46.01 15.6 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.651 1.98 . . . . 73.23 112.924 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.82 159.11 41.96 Favored Pre-proline 0 C--N 1.351 0.654 0 C-N-CA 124.728 1.211 . . . . 63.41 110.078 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.0 Cg_endo -74.7 166.41 29.4 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.635 2.223 . . . . 72.51 114.214 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.66 -29.61 70.82 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 129.003 2.921 . . . . 75.24 109.628 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.73 73.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 126.887 2.075 . . . . 51.53 114.386 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.6 m -97.41 -23.38 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 O-C-N 119.958 -1.714 . . . . 71.53 111.973 -172.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -31.35 70.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.201 -1.562 . . . . 73.13 110.621 171.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.69 -17.06 59.34 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 121.093 -1.004 . . . . 72.43 112.35 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.66 -37.68 79.39 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 121.321 -0.862 . . . . 53.41 112.925 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 52' ' ' ILE . 33.0 t80 -59.59 -40.72 88.36 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 125.276 1.43 . . . . 72.12 114.55 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.73 -41.22 88.26 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 119.731 -1.856 . . . . 65.5 113.655 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.15 -24.52 67.42 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.805 2.042 . . . . 71.5 114.162 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--N 1.348 0.54 0 C-N-CA 127.451 2.3 . . . . 73.31 112.409 179.766 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 120.738 0.304 . . . . 74.0 111.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -85.39 129.92 34.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.31 -0.869 . . . . 53.41 111.288 -165.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -59.98 -31.4 69.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 126.394 1.877 . . . . 64.45 114.443 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.7 mt-10 -62.2 -29.72 70.58 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 115.055 1.502 . . . . 72.45 115.055 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.49 91.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.481 0.582 . . . . 52.23 111.401 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -37.98 94.29 Favored Glycine 0 CA--C 1.489 -1.563 0 O-C-N 120.062 -1.649 . . . . 43.35 113.083 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.4 m -63.55 -41.0 98.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.448 1.099 . . . . 64.03 111.044 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.65 -42.68 86.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 121.338 -0.851 . . . . 73.4 111.594 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.7 mt -59.86 -46.35 93.9 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 120.961 -1.087 . . . . 64.04 112.561 -174.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.3 pp -68.31 -28.32 67.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.38 1.252 . . . . 64.24 114.38 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.8 t -62.75 -43.06 99.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.212 1.405 . . . . 71.24 112.326 174.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.8 -35.68 77.08 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 121.144 1.793 . . . . 52.41 113.326 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.66 -39.09 70.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 115.863 1.801 . . . . 74.21 115.863 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -70.22 -41.79 73.13 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 122.571 1.177 . . . . 74.04 111.57 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -92.07 49.47 1.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.28 1.432 . . . . 75.01 113.072 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.1 mt -93.26 -17.73 23.3 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.593 1.664 . . . . 64.11 109.699 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -31.74 72.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 127.283 2.233 . . . . 65.2 109.743 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -28.06 66.92 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.727 3.211 . . . . 63.24 111.8 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 68' ' ' LEU . 75.1 mt -69.74 158.29 35.7 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 126.991 2.117 . . . . 71.43 112.524 -173.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.97 130.25 40.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.212 -0.904 . . . . 71.33 111.102 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.77 -26.98 67.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 125.192 1.397 . . . . 72.21 114.016 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.02 -32.43 66.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 125.65 1.58 . . . . 71.31 114.212 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 ptp -82.16 -11.46 58.71 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.136 1.334 . . . . 75.33 111.728 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 63.94 28.01 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 128.898 2.879 . . . . 62.32 115.37 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -80.5 123.14 27.83 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 119.736 -1.853 . . . . 44.43 110.038 178.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -141.02 150.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 106.767 -1.568 . . . . 71.3 106.767 163.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.52 133.52 51.42 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.903 1.281 . . . . 71.13 111.836 -173.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.94 -12.68 63.21 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 123.641 0.639 . . . . 62.31 114.212 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -102.87 22.92 12.97 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.625 1.57 . . . . 72.11 110.407 -169.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.35 81.37 Favored 'General case' 0 CA--C 1.49 -1.361 0 C-N-CA 125.503 1.521 . . . . 73.12 114.045 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.3 mtp -61.16 -40.58 94.41 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 119.343 0.974 . . . . 71.41 112.516 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -70.95 -44.77 65.39 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.214 0.82 . . . . 71.4 113.214 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.51 -47.64 85.26 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.98 2.112 . . . . 75.01 113.143 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.58 91.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.138 0.975 . . . . 71.13 112.97 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.47 -35.67 81.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.807 1.243 . . . . 73.0 114.021 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -28.45 69.48 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 120.745 -1.222 . . . . 74.23 112.108 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.7 15.31 20.41 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.247 1.819 . . . . 73.43 114.418 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.42 -2.72 63.14 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 121.218 -0.926 . . . . 74.52 113.885 165.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.57 58.42 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 118.294 1.047 . . . . 74.42 111.929 165.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -81.33 170.44 16.01 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.342 -2.099 . . . . 61.04 108.628 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -65.01 -34.88 79.5 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.563 -1.336 . . . . 71.01 112.694 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.06 83.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.479 1.912 . . . . 71.24 112.335 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.6 -38.9 84.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.943 1.297 . . . . 74.14 112.267 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.618 0.97 . . . . 62.11 113.618 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -68.34 -29.54 68.3 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.585 -1.322 . . . . 73.2 111.767 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.6 -42.97 97.85 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.267 1.58 . . . . 75.15 115.267 170.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.468 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.4 mt -63.46 -42.24 98.61 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.888 2.131 . . . . 73.33 112.022 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.71 -39.93 95.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.017 -1.052 . . . . 64.12 112.118 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.726 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 95.4 m-20 -67.02 -41.07 87.26 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 116.793 2.146 . . . . 72.12 116.793 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.69 -43.37 87.49 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 CA-C-N 120.016 1.28 . . . . 74.22 109.438 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -55.6 -51.64 66.47 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.546 0.572 . . . . 55.55 112.546 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.726 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 26.3 p80 -76.03 -26.17 56.38 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 120.035 -1.666 . . . . 70.21 110.734 -170.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 t -65.49 -40.86 93.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 112.353 -2.203 . . . . 64.43 113.045 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.499 ' HA ' HG22 ' A' ' 100' ' ' VAL . 19.7 m -69.89 -35.79 74.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.885 1.439 . . . . 22.22 114.885 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.63 -28.91 68.91 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.393 1.477 . . . . 75.33 112.888 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -85.3 -19.34 31.68 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.677 0.791 . . . . 43.54 112.001 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -102.58 -31.7 3.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 O-C-N 121.33 -0.856 . . . . 71.3 111.386 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -70.6 154.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.351 1.241 . . . . 72.53 114.351 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.6 m -66.42 126.01 27.48 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.79 -1.193 . . . . 64.44 112.146 164.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.412 HG12 HG23 ' A' ' 111' ' ' THR . 71.9 mt -110.26 132.28 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.663 0 C-N-CA 128.845 2.858 . . . . 72.01 103.454 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.2 t -112.88 128.41 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 106.269 -1.752 . . . . 60.23 106.269 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.07 90.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.376 1.25 . . . . 75.33 114.376 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.456 1.502 . . . . 72.12 114.452 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.23 91.8 40.87 Favored Pre-proline 0 C--N 1.35 0.599 0 CA-C-O 118.054 -0.974 . . . . 75.52 109.728 -160.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.54 -13.46 40.0 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 122.898 2.399 . . . . 65.13 113.262 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.3 m -68.56 -43.66 76.14 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.272 1.029 . . . . 64.52 110.793 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.25 1.02 . . . . 73.33 110.896 173.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.412 HG23 HG12 ' A' ' 103' ' ' ILE . 65.3 m -56.39 -46.21 80.24 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.515 0.326 . . . . 73.45 111.428 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.8 tpp -65.7 -49.19 69.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.69 -1.256 . . . . 71.44 114.324 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -45.21 82.5 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.093 1.357 . . . . 71.33 112.19 -177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.022 0.929 . . . . 74.3 109.741 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.36 -46.75 85.12 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.27 -0.894 . . . . 73.0 112.506 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.84 99.89 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 125.051 1.34 . . . . 62.53 110.707 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.2 ptm -71.95 -30.35 65.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 119.141 -0.457 . . . . 54.21 110.794 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.7 t -68.75 -47.26 66.71 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.128 1.331 . . . . 54.12 113.566 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.81 -47.97 76.23 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 115.3 1.592 . . . . 70.11 115.3 174.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 123' ' ' ILE . 26.6 ttpp -61.73 -32.9 73.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.428 1.091 . . . . 70.13 111.496 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.66 98.29 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 122.339 1.066 . . . . 73.11 112.022 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.96 -45.84 73.08 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.475 1.51 . . . . 63.42 113.876 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.7 pt -64.78 -23.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.169 -2.207 . . . . 74.23 114.564 173.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.96 -35.66 81.88 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 121.249 -0.907 . . . . 64.4 111.504 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -75.41 -25.17 57.33 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.34 -1.475 . . . . 72.43 112.541 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.91 154.07 42.69 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.446 2.299 . . . . 55.21 115.104 -171.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 0.44 50.19 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.496 1.119 . . . . 62.53 111.688 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -131.31 153.78 49.22 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.297 -1.742 . . . . 73.42 106.297 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.29 118.5 37.6 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-O 118.473 -0.775 . . . . 74.12 111.219 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.92 148.16 63.44 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.412 2.075 . . . . 75.32 109.288 159.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.1 t -81.18 165.71 21.29 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.655 -0.869 . . . . 65.1 108.655 164.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.87 -32.87 73.26 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.784 -1.197 . . . . 63.11 111.394 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.653 0.781 . . . . 60.51 112.294 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.08 -44.76 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.578 1.951 . . . . 73.4 114.442 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.27 82.61 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 113.328 0.862 . . . . 75.25 113.328 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.33 -28.72 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.062 0 O-C-N 120.946 -1.096 . . . . 53.23 108.269 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.93 98.58 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 121.526 -0.734 . . . . 54.24 114.027 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.4 mt-10 -65.33 -35.32 80.63 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.829 1.315 . . . . 60.21 113.181 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.9 mt -64.0 -54.86 27.69 Favored 'General case' 0 CA--C 1.476 -1.897 0 C-N-CA 124.163 0.985 . . . . 73.12 111.822 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 56' ' ' ALA . 57.6 mt -67.19 -40.07 86.48 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.279 -0.873 . . . . 74.02 112.519 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.39 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.389 -1.444 . . . . 74.53 114.736 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.18 -25.34 42.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.788 -1.195 . . . . 71.23 111.865 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.262 1.733 0 N-CA-C 115.613 1.709 . . . . 71.45 115.613 -175.276 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 CA-C-O 118.503 -0.707 . . . . 73.12 113.211 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -68.5 -43.96 75.74 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 74.23 112.268 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.12 -31.84 66.4 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 121.466 -0.771 . . . . 74.23 112.054 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.9 90.93 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 121.203 -0.936 . . . . 43.12 112.022 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.63 -0.82 14.02 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 125.142 1.377 . . . . 41.01 114.269 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -48.34 7.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 119.977 -1.702 . . . . 71.23 109.674 166.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -79.82 -36.87 36.24 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.952 -1.718 . . . . 72.2 114.544 -174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.24 -37.74 78.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 127.807 2.443 . . . . 72.32 110.368 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 -9.93 49.11 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.14 -1.391 . . . . 73.15 109.189 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 58.17 47.09 14.93 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.807 2.043 . . . . 52.32 113.304 -174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.63 158.52 45.09 Favored Pre-proline 0 C--N 1.347 0.496 0 C-N-CA 124.415 1.086 . . . . 64.32 109.553 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -73.78 166.27 30.14 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.616 2.211 . . . . 64.25 113.186 175.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -63.29 -29.99 71.21 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 128.013 2.525 . . . . 74.23 109.597 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.51 70.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 127.227 2.211 . . . . 71.23 113.265 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.8 m -97.38 -23.34 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 120.235 -1.541 . . . . 63.32 111.844 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.3 ptm -66.61 -33.3 75.36 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.334 -1.479 . . . . 72.43 112.082 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.41 -17.92 59.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.8 -1.188 . . . . 63.1 112.991 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.51 -37.4 78.23 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.162 -0.962 . . . . 72.41 112.958 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.412 ' CD2' HG12 ' A' ' 52' ' ' ILE . 24.7 t80 -59.56 -41.76 90.9 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.393 1.257 . . . . 72.35 114.393 169.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.26 -40.33 86.22 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 119.775 -1.828 . . . . 71.33 113.632 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -64.52 -23.19 67.19 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.806 2.043 . . . . 73.12 114.304 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.348 0.539 0 C-N-CA 127.081 2.152 . . . . 75.02 112.16 178.5 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.333 0.587 . . . . 73.41 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -87.88 131.32 34.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.786 1.235 . . . . 71.12 111.253 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.9 -32.79 71.07 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.508 1.923 . . . . 73.31 113.592 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.2 mt-10 -62.35 -30.48 71.21 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 115.943 1.831 . . . . 70.31 115.943 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.28 90.35 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.741 0.7 . . . . 75.21 111.493 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -38.98 96.55 Favored Glycine 0 CA--C 1.488 -1.641 0 O-C-N 120.397 -1.439 . . . . 74.31 113.262 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.24 -40.94 98.87 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.279 1.032 . . . . 64.44 111.189 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.16 -42.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.189 -0.944 . . . . 73.13 111.968 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.9 mt -60.08 -46.05 94.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 O-C-N 120.831 -1.168 . . . . 74.44 112.151 -173.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.3 pp -67.88 -28.46 67.53 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.263 1.209 . . . . 72.22 114.263 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.519 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.6 t -62.91 -42.7 99.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.626 1.57 . . . . 54.52 112.094 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -37.34 81.42 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 121.021 1.737 . . . . 71.42 113.809 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.6 -39.05 70.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 114.738 1.385 . . . . 75.2 114.738 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.95 -37.7 72.82 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.252 1.025 . . . . 51.12 112.927 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -98.04 33.58 2.11 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.84 1.656 . . . . 74.04 112.752 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.5 mt -78.28 -29.49 47.95 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-O 123.377 1.561 . . . . 62.54 110.735 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.67 -14.72 54.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.037 1.335 . . . . 63.11 112.992 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.59 -27.31 58.48 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.162 1.785 . . . . 73.03 111.328 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.419 HD12 HD13 ' A' ' 68' ' ' LEU . 56.3 mt -68.42 159.97 30.56 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.865 2.466 . . . . 75.03 111.443 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -67.89 133.01 48.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.988 -1.07 . . . . 72.34 112.145 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -61.54 -26.64 68.07 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.59 -1.318 . . . . 65.15 113.828 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.71 -34.79 67.81 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.038 1.335 . . . . 73.23 113.464 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.25 -11.12 58.11 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.717 -1.239 . . . . 63.13 112.244 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 61.36 27.82 17.39 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.097 2.559 . . . . 74.01 116.534 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.419 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.61 121.55 26.48 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.976 -1.703 . . . . 75.22 111.113 178.392 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.0 151.26 45.33 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.495 -0.928 . . . . 72.13 108.495 166.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.82 129.43 39.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 122.498 1.142 . . . . 72.42 113.458 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.64 -8.59 76.72 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.344 1.45 . . . . 75.21 115.28 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.8 33.13 4.96 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.964 1.382 . . . . 65.44 110.579 -169.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.0 89.86 Favored 'General case' 0 CA--C 1.495 -1.172 0 O-C-N 120.902 -1.124 . . . . 63.01 113.877 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -60.37 -41.11 93.04 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.442 1.019 . . . . 74.11 113.077 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.72 -44.97 63.2 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 112.699 0.629 . . . . 74.33 112.699 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.69 -48.5 81.53 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.222 1.809 . . . . 61.03 113.306 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.38 97.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 120.991 -1.068 . . . . 72.5 113.094 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.12 -35.2 79.99 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 113.918 1.081 . . . . 72.11 113.918 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.05 -30.45 70.33 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.773 -1.204 . . . . 72.54 112.564 170.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -93.67 14.14 20.0 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.889 1.676 . . . . 75.35 114.64 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.36 -1.51 62.41 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.037 -1.04 . . . . 71.23 114.075 167.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 140.43 57.45 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.414 1.107 . . . . 53.4 111.37 164.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -81.53 170.12 16.28 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.419 -2.051 . . . . 75.44 108.125 169.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.68 -34.37 78.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.595 -1.316 . . . . 75.21 112.77 -173.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.65 83.95 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.457 1.903 . . . . 63.03 112.248 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -71.07 -36.03 72.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 121.213 -0.929 . . . . 62.11 112.458 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.828 0.823 . . . . 62.02 112.867 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.85 -27.61 64.98 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.831 -1.168 . . . . 74.2 112.631 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.62 -42.67 97.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.924 1.453 . . . . 64.23 114.924 169.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 135' ' ' ALA . 45.0 mt -63.57 -41.11 98.4 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.546 1.976 . . . . 64.31 112.654 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.28 -40.43 95.94 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.312 -0.867 . . . . 65.45 112.101 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.06 -42.36 97.04 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 120.377 -1.452 . . . . 71.54 112.588 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.33 -44.92 93.46 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 124.351 1.06 . . . . 74.14 110.333 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.3 -54.84 42.18 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 121.86 -0.525 . . . . 75.21 111.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -70.99 -25.98 62.94 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.642 -1.286 . . . . 71.34 111.938 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -65.74 -40.63 92.34 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.513 1.149 . . . . 51.33 112.906 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 21.2 m -68.65 -35.57 77.44 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 114.299 1.222 . . . . 40.54 114.299 173.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.36 -29.23 68.77 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.995 1.318 . . . . 71.14 113.095 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -86.61 -18.74 30.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.935 0.494 . . . . 72.32 112.133 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -101.5 -31.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 121.442 -0.786 . . . . 62.12 111.258 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -70.95 154.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.443 1.275 . . . . 71.34 114.443 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.2 m -66.93 126.66 29.81 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.929 -1.107 . . . . 74.5 112.254 165.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.425 HG12 HG23 ' A' ' 111' ' ' THR . 71.5 mt -110.5 132.54 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.553 0 C-N-CA 129.149 2.98 . . . . 71.2 103.822 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 t -114.25 127.55 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 106.522 -1.658 . . . . 72.42 106.522 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.28 95.55 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.752 1.39 . . . . 75.23 114.752 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.42 -39.37 94.31 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.322 1.849 . . . . 74.35 112.718 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -131.36 96.61 21.18 Favored Pre-proline 0 C--N 1.349 0.544 0 CA-C-O 118.112 -0.947 . . . . 71.34 110.329 -160.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.08 -13.67 38.75 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 CA-C-N 123.135 2.155 . . . . 75.31 112.87 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -69.13 -44.67 71.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.703 1.201 . . . . 72.42 110.754 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.98 95.72 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.098 0.959 . . . . 73.04 111.368 172.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 103' ' ' ILE . 69.6 m -56.44 -46.56 80.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 117.834 0.288 . . . . 52.22 111.576 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.98 -48.74 70.26 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.758 -1.214 . . . . 72.22 113.666 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.18 78.73 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.168 1.387 . . . . 53.25 112.87 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.46 -41.44 98.77 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.162 0.985 . . . . 61.35 109.298 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.02 -46.9 85.4 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 121.423 -0.798 . . . . 62.31 112.367 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.24 98.71 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.717 1.207 . . . . 53.12 110.946 -174.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.4 ptm -71.85 -29.02 63.95 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 119.093 -0.479 . . . . 63.53 111.151 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.8 -46.56 65.43 Favored 'General case' 0 C--N 1.37 1.472 0 CA-C-N 120.165 1.348 . . . . 71.55 113.684 166.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.1 t80 -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.037 1.495 . . . . 75.11 115.037 174.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HA ' HG12 ' A' ' 123' ' ' ILE . 57.9 tptt -63.41 -29.67 70.93 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 123.577 0.751 . . . . 44.1 112.338 176.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.02 99.74 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.479 1.133 . . . . 34.33 111.974 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.39 -45.99 71.2 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 114.645 1.35 . . . . 75.11 114.645 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.807 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.8 pt -67.87 -20.04 25.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 118.639 -2.538 . . . . 62.45 115.501 172.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.18 -40.44 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.147 0.979 . . . . 61.12 111.517 168.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 113.491 0.922 . . . . 72.2 113.491 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.5 mt -68.76 153.01 44.56 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.922 2.089 . . . . 63.05 115.504 -172.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.33 -0.31 54.35 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.979 1.312 . . . . 72.34 111.914 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -130.57 155.09 47.11 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 106.797 -1.557 . . . . 72.14 106.797 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.43 119.13 42.5 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-O 118.544 -0.741 . . . . 73.11 111.309 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -70.1 151.2 67.05 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.457 2.104 . . . . 70.31 109.028 155.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -88.71 168.92 12.1 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 106.832 -1.544 . . . . 62.45 106.832 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.63 -24.42 67.79 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.275 -1.516 . . . . 75.45 113.663 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.8 -41.35 97.63 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.508 -1.37 . . . . 75.03 112.125 172.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.05 -43.13 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 C-N-CA 126.349 1.86 . . . . 64.53 113.301 -171.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.86 80.38 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.602 1.092 . . . . 71.41 112.523 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.34 -32.5 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 O-C-N 121.503 -0.748 . . . . 73.44 109.307 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.72 99.75 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.161 -0.8 . . . . 72.54 113.88 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.452 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.9 mt-10 -64.29 -37.54 87.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.361 1.581 . . . . 62.51 113.797 173.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.1 mt -61.58 -54.55 41.55 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 112.968 0.729 . . . . 74.15 112.968 171.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 56' ' ' ALA . 69.6 mt -67.48 -38.68 84.77 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.233 -0.894 . . . . 53.45 112.457 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.15 96.3 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.844 -1.16 . . . . 75.42 113.75 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.79 -36.5 78.35 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.135 -0.978 . . . . 65.51 111.622 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.258 1.545 0 N-CA-C 114.959 1.466 . . . . 73.34 114.959 -176.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 N--CA 1.455 -0.759 0 CA-C-O 118.45 -0.729 . . . . 74.52 113.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.1 ttt -70.1 -43.22 71.51 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.823 1.192 . . . . 72.34 112.164 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.49 -31.93 69.23 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 121.098 -1.001 . . . . 73.03 111.664 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.94 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.636 0.774 . . . . 23.23 112.983 170.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 95.4 m -60.26 -44.96 94.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.212 0.915 . . . . 71.43 110.32 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -43.01 93.73 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 119.777 -1.827 . . . . 71.33 111.904 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 114.762 1.393 . . . . 75.1 114.762 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.67 -39.6 88.99 Favored 'General case' 0 CA--C 1.487 -1.449 0 C-N-CA 126.759 2.023 . . . . 72.24 110.543 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 mt -83.74 -7.06 59.56 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.797 -1.092 . . . . 73.44 110.233 -177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.54 45.91 21.48 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.492 2.317 . . . . 71.03 113.479 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.73 158.28 44.04 Favored Pre-proline 0 C--N 1.35 0.618 0 C-N-CA 124.126 0.971 . . . . 54.32 109.375 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -74.37 166.69 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.503 2.135 . . . . 71.35 113.288 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.5 -30.68 71.45 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 128.421 2.689 . . . . 75.42 109.446 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.91 65.31 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 128.056 2.542 . . . . 64.3 113.485 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.2 m -101.65 -23.71 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.244 -1.382 . . . . 43.45 112.238 -172.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -66.83 -32.38 73.62 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.172 -1.58 . . . . 71.11 111.604 166.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.06 -21.89 61.45 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.38 -0.825 . . . . 71.12 112.915 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.08 -37.76 83.83 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.055 -1.028 . . . . 75.32 112.781 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' HG12 ' A' ' 52' ' ' ILE . 18.8 t80 -60.91 -44.09 97.65 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 114.28 1.215 . . . . 75.4 114.28 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.4 p90 -71.42 -34.41 70.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 119.604 -1.935 . . . . 74.2 116.018 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -63.15 -20.96 65.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.639 1.576 . . . . 64.12 114.729 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--N 1.347 0.489 0 C-N-CA 127.059 2.144 . . . . 74.22 111.678 177.537 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 CA--C 1.515 -0.371 0 N-CA-C 111.971 0.359 . . . . 74.4 111.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.84 133.78 34.31 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 124.003 0.921 . . . . 52.3 112.545 -163.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.01 -32.78 71.19 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.201 1.8 . . . . 72.54 113.464 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.1 mt-10 -62.96 -29.97 71.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 115.557 1.688 . . . . 73.24 115.557 170.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.08 89.48 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 118.704 0.684 . . . . 62.2 111.461 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.51 95.76 Favored Glycine 0 CA--C 1.49 -1.487 0 O-C-N 120.414 -1.429 . . . . 55.03 113.148 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.7 m -63.7 -41.5 98.11 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.13 0.972 . . . . 71.35 111.049 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.7 p -68.67 -42.04 82.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 121.21 -0.931 . . . . 53.31 111.553 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.5 mt -59.31 -45.34 93.3 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 120.396 -1.44 . . . . 60.41 112.7 -175.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.6 -28.92 68.16 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 114.073 1.138 . . . . 74.32 114.073 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.98 -43.39 98.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.335 1.454 . . . . 74.21 112.094 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.58 -38.05 86.13 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.104 1.775 . . . . 74.01 113.51 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.11 -36.01 72.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 115.855 1.798 . . . . 24.13 115.855 -174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.22 -42.59 72.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.864 0.84 . . . . 73.42 112.867 166.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.95 44.5 1.2 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.233 1.413 . . . . 71.43 113.383 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.5 mt -90.43 -14.0 33.74 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.661 1.696 . . . . 74.14 109.31 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.39 -33.71 75.29 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.043 2.537 . . . . 70.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -27.64 66.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.12 2.968 . . . . 74.1 111.809 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 68' ' ' LEU . 71.2 mt -70.46 159.89 33.41 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.191 2.196 . . . . 74.01 111.45 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.5 141.42 41.27 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.727 -1.233 . . . . 74.34 109.497 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -60.74 -27.9 68.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.261 1.208 . . . . 75.02 114.261 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.48 -33.01 69.31 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.338 -1.476 . . . . 75.52 113.622 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.9 ptp -81.79 -12.25 58.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.814 -1.179 . . . . 74.23 112.819 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 62.29 26.42 15.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.086 2.555 . . . . 74.45 116.507 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -82.18 121.57 26.78 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 119.962 -1.712 . . . . 63.31 110.655 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.29 148.49 41.49 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.789 -1.56 . . . . 71.3 106.789 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.9 t60 -66.62 130.18 42.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.121 0.968 . . . . 70.4 110.865 -174.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -11.2 71.95 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 124.129 0.871 . . . . 60.13 114.898 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -103.0 24.51 10.65 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 118.708 1.254 . . . . 70.54 111.062 -171.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.76 81.73 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 114.657 1.354 . . . . 54.24 114.657 -173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 63.9 mtt -60.8 -39.58 89.44 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 119.201 0.909 . . . . 63.31 112.486 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -74.51 -44.52 50.96 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 113.303 0.853 . . . . 71.11 113.303 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.06 -47.29 86.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 126.808 2.043 . . . . 73.2 113.232 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.76 92.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 121.164 -0.96 . . . . 63.34 112.778 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.71 -34.31 77.59 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.804 1.242 . . . . 60.22 114.199 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.61 -32.62 71.75 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.927 -1.108 . . . . 72.41 112.019 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -93.98 14.15 20.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.902 1.681 . . . . 74.35 114.764 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.96 0.78 63.58 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 121.093 -1.004 . . . . 63.01 114.227 167.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.62 140.37 56.87 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.484 1.142 . . . . 53.22 110.841 162.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -82.79 172.21 13.11 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 119.537 -1.977 . . . . 73.3 108.279 169.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.99 -32.61 74.42 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.283 -1.511 . . . . 74.22 112.929 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.46 77.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.902 1.681 . . . . 63.45 112.118 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.68 -41.02 96.36 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.264 1.826 . . . . 61.34 113.436 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.76 84.83 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.015 0.746 . . . . 63.55 113.015 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -29.11 66.23 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.721 -1.237 . . . . 74.44 112.348 174.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -60.68 -42.7 97.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.391 1.626 . . . . 73.21 115.391 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 40.0 mt -63.42 -40.95 98.56 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 121.886 2.13 . . . . 74.31 112.591 175.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.51 -40.32 95.42 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.424 -0.797 . . . . 73.11 111.695 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.269 -1.519 . . . . 72.13 112.549 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.71 -45.44 94.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 124.403 1.081 . . . . 64.24 110.263 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -59.22 -53.47 57.96 Favored 'General case' 0 CA--C 1.49 -1.328 0 O-C-N 121.844 -0.535 . . . . 72.43 111.723 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -70.58 -29.58 66.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 121.173 -0.955 . . . . 54.11 109.912 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 t -66.11 -41.12 91.01 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.602 1.192 . . . . 61.34 112.801 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.3 m -67.88 -35.21 78.12 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.106 1.15 . . . . 60.55 114.106 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.24 -28.79 68.31 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.151 1.381 . . . . 63.12 113.009 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -87.59 -19.04 28.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.215 0.45 . . . . 75.13 112.215 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -100.98 -31.29 3.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 O-C-N 121.389 -0.819 . . . . 61.45 111.248 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -70.66 154.36 8.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 N-CA-C 114.613 1.338 . . . . 74.32 114.613 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.6 m -66.55 126.93 30.46 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.072 -1.018 . . . . 71.23 112.26 165.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 111' ' ' THR . 71.1 mt -111.66 132.57 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 129.089 2.956 . . . . 61.34 103.446 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -113.26 128.18 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.633 0 N-CA-C 105.946 -1.872 . . . . 64.23 105.946 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.443 1.275 . . . . 60.04 114.443 171.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -64.84 -38.2 90.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.414 1.486 . . . . 72.13 114.532 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -128.2 96.45 31.18 Favored Pre-proline 0 N--CA 1.447 -0.587 0 CA-C-O 117.769 -1.11 . . . . 75.21 109.04 -162.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.64 -13.59 37.54 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 CA-C-N 123.859 2.414 . . . . 74.12 112.785 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.05 -44.42 69.21 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 125.083 1.353 . . . . 50.4 110.863 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -44.96 96.1 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.302 1.041 . . . . 71.23 111.255 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' ILE . 73.4 m -56.12 -46.65 79.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 117.963 0.347 . . . . 72.0 111.584 175.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.7 tpt -66.7 -47.94 70.82 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.751 -1.218 . . . . 64.13 113.572 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.53 79.33 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.738 1.615 . . . . 64.45 112.591 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.42 -41.76 98.93 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.027 0.931 . . . . 71.35 109.699 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.83 -46.48 87.72 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 121.513 -0.742 . . . . 70.13 112.385 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.02 99.7 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 124.931 1.292 . . . . 34.03 110.95 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.09 -29.1 62.69 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 119.075 -0.488 . . . . 73.12 110.812 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.8 t -69.35 -46.28 67.38 Favored 'General case' 0 C--N 1.37 1.462 0 CA-C-N 120.075 1.307 . . . . 73.24 113.363 166.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.6 t80 -54.96 -47.81 74.02 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.057 1.503 . . . . 72.21 115.057 173.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.06 -32.33 73.67 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.905 0.859 . . . . 52.01 110.997 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.63 99.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 122.679 1.228 . . . . 73.34 111.814 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.18 -46.03 71.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 114.723 1.379 . . . . 74.44 114.723 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' A' ' 126' ' ' LEU . 38.8 pt -67.45 -19.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 118.626 -2.546 . . . . 64.33 115.511 173.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.86 -40.69 96.23 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.303 1.041 . . . . 75.55 111.728 167.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -71.82 -27.8 63.16 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.862 0.865 . . . . 65.42 113.308 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -69.81 153.54 43.19 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.244 2.218 . . . . 73.43 115.332 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.77 0.35 53.14 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.636 1.174 . . . . 73.54 111.615 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -131.03 155.24 47.2 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.421 -1.696 . . . . 73.22 106.421 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.46 120.3 36.56 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 118.305 -0.855 . . . . 54.31 110.651 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.9 150.79 67.85 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.384 2.056 . . . . 73.43 109.094 157.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -87.56 166.44 14.73 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 106.392 -1.707 . . . . 62.04 106.392 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.23 -21.1 66.7 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.0 -1.688 . . . . 65.14 114.373 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.5 -40.75 95.71 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.457 -1.402 . . . . 75.11 112.116 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.02 -43.91 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 126.529 1.932 . . . . 63.02 113.066 -173.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.87 -47.49 83.13 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 119.265 0.938 . . . . 74.35 112.304 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 m -77.34 -33.33 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 O-C-N 121.433 -0.792 . . . . 71.43 109.259 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.93 99.49 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 121.615 -0.678 . . . . 43.24 113.731 -172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 16.8 mt-10 -64.28 -38.08 89.77 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.777 1.289 . . . . 73.21 113.834 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.0 mt -63.55 -50.78 68.17 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.851 1.26 . . . . 73.55 112.717 174.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 56' ' ' ALA . 19.2 mt -68.28 -41.75 80.56 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.123 -1.398 . . . . 63.01 111.287 -176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.54 81.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.657 -1.277 . . . . 75.3 113.922 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.25 19.34 8.24 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.831 -1.168 . . . . 74.22 112.74 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 70' ' ' HIS . 7.4 t . . . . . 0 C--O 1.266 1.944 0 O-C-N 119.18 -2.2 . . . . 73.33 113.613 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 118.434 -0.736 . . . . 73.13 113.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.5 ttt -69.98 -43.87 70.58 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.691 1.132 . . . . 73.22 111.558 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.38 -31.21 65.37 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.492 1.117 . . . . 73.15 112.09 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.99 98.63 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.306 1.043 . . . . 55.43 112.802 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.2 m -60.35 -44.4 95.59 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.302 -0.874 . . . . 63.3 110.308 175.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 119.735 -1.853 . . . . 74.13 112.196 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -77.29 -40.87 42.96 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 114.826 1.417 . . . . 72.44 114.826 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.9 -39.27 88.66 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 125.182 1.393 . . . . 75.02 111.273 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.9 mt -83.57 -9.29 59.02 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.96 -1.018 . . . . 75.04 110.436 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.53 48.37 12.07 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.529 2.332 . . . . 62.54 113.003 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -119.3 158.35 48.89 Favored Pre-proline 0 C--N 1.347 0.475 0 C-N-CA 124.665 1.186 . . . . 74.52 109.231 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.94 166.61 29.23 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.614 2.21 . . . . 71.34 113.465 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -62.71 -29.82 70.95 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 128.172 2.589 . . . . 65.04 109.712 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.96 65.14 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.948 2.499 . . . . 61.02 113.43 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.4 m -102.48 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 C-N-CA 118.449 -1.3 . . . . 73.03 112.054 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.8 ptm -66.08 -31.84 72.94 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 120.28 -1.512 . . . . 74.22 111.506 166.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.543 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.7 pp0? -73.39 -21.83 60.41 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 121.544 -0.723 . . . . 74.0 112.939 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -61.07 -38.03 84.76 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 121.143 -0.973 . . . . 74.24 112.652 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -60.78 -43.75 97.69 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 114.348 1.24 . . . . 73.2 114.348 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 43.8 p90 -72.04 -34.47 68.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 119.579 -1.951 . . . . 73.15 116.244 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -63.4 -20.95 65.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.871 1.668 . . . . 71.41 114.75 170.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.348 0.518 0 C-N-CA 127.306 2.242 . . . . 65.25 111.541 177.746 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 120.691 0.282 . . . . 72.43 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.69 132.72 34.46 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.189 -0.944 . . . . 72.45 112.232 -164.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.12 -32.79 71.34 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.037 1.735 . . . . 75.2 113.63 -173.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.3 mt-10 -63.02 -29.79 71.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 115.811 1.782 . . . . 74.14 115.811 170.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.38 87.64 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.658 0.663 . . . . 75.21 111.497 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.42 95.65 Favored Glycine 0 CA--C 1.491 -1.468 0 O-C-N 120.378 -1.451 . . . . 73.42 113.109 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.1 m -63.84 -42.06 97.69 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.295 1.038 . . . . 75.33 110.915 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 O-C-N 121.224 -0.923 . . . . 74.05 111.796 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.7 -45.92 93.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 O-C-N 120.29 -1.506 . . . . 74.44 112.992 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.15 -29.08 68.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.319 1.229 . . . . 63.23 114.319 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.3 t -64.48 -41.17 96.64 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.874 1.67 . . . . 74.45 112.715 173.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -40.03 90.99 Favored 'General case' 0 C--N 1.365 1.264 0 CA-C-N 122.348 2.34 . . . . 73.3 112.989 172.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.7 -36.46 69.68 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 125.581 1.552 . . . . 44.42 114.466 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.23 -20.32 48.55 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.58 -0.7 . . . . 74.41 112.635 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -109.46 32.01 5.33 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.174 1.79 . . . . 71.25 112.931 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.4 mt -77.36 -26.62 52.15 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 119.87 -1.769 . . . . 70.14 111.068 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -64.1 -16.53 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.095 1.358 . . . . 74.35 112.734 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.18 -26.68 56.43 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.641 1.576 . . . . 74.11 110.752 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 68' ' ' LEU . 57.7 mt -69.3 160.02 32.02 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.239 2.215 . . . . 72.34 110.336 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.49 138.5 47.06 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.546 -1.346 . . . . 61.34 109.85 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -60.59 -27.32 67.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.274 1.213 . . . . 73.12 114.274 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.41 -33.62 69.85 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.436 -1.415 . . . . 63.34 113.434 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.4 ptm -79.42 -16.84 55.51 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.861 -1.149 . . . . 73.21 112.413 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 62.95 31.49 16.15 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.813 2.845 . . . . 70.3 117.127 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.93 122.51 27.34 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.898 -1.751 . . . . 64.5 111.026 175.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -141.49 156.84 45.71 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 72.32 107.222 167.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -69.03 134.57 49.61 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.771 1.272 . . . . 63.53 112.337 -174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.49 63.73 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.078 -0.965 . . . . 64.43 114.753 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.36 18.52 15.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 125.873 1.669 . . . . 65.33 112.25 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.05 79.88 Favored 'General case' 0 CA--C 1.495 -1.17 0 C-N-CA 125.191 1.397 . . . . 75.44 113.802 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.08 -38.82 87.6 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.487 1.039 . . . . 51.01 112.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.27 -44.74 35.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 113.354 0.872 . . . . 73.32 113.354 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 54.3 t80 -61.13 -44.87 96.67 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.479 2.312 . . . . 73.03 113.594 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.5 -40.98 79.84 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.89 -1.132 . . . . 73.14 113.103 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.38 -35.88 81.86 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 114.39 1.256 . . . . 73.34 114.39 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -61.08 -28.26 68.95 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.868 -1.145 . . . . 73.52 112.344 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.85 14.96 21.64 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.883 1.673 . . . . 75.54 114.536 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.72 62.35 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 121.122 -0.986 . . . . 51.33 113.855 166.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 143.33 56.86 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.307 1.054 . . . . 74.33 111.843 165.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -81.2 171.21 15.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.711 -1.868 . . . . 70.25 108.366 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.4 -33.87 76.86 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.647 -1.283 . . . . 73.34 112.749 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 126.091 1.756 . . . . 71.32 112.586 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 mmt -71.72 -35.97 70.35 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.247 1.019 . . . . 50.34 111.941 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.0 88.36 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.319 1.448 . . . . 70.43 113.001 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -24.53 50.42 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.534 0.733 . . . . 52.43 112.116 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -60.81 -42.06 96.92 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.659 1.355 . . . . 71.22 114.659 171.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.79 -41.94 99.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.038 1.745 . . . . 72.52 112.242 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.08 -40.53 96.45 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.803 -1.186 . . . . 64.45 112.112 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.72 -42.63 97.9 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.486 -1.384 . . . . 74.43 112.645 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.38 -45.41 93.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.08 0 C-N-CA 124.557 1.143 . . . . 73.53 110.387 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -58.31 -56.21 25.07 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 122.851 0.46 . . . . 71.22 111.752 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -66.03 -32.99 74.78 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 123.732 0.813 . . . . 64.41 109.734 -173.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.71 -41.72 91.98 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.915 1.34 . . . . 61.45 112.983 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.1 m -67.53 -34.6 77.43 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 114.532 1.308 . . . . 71.1 114.532 173.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.65 -32.48 70.49 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.238 1.415 . . . . 73.53 111.128 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -85.3 -19.44 31.52 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.817 0.447 . . . . 71.34 111.935 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.3 m -100.35 -29.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 121.385 -0.822 . . . . 73.42 111.354 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -71.27 155.07 7.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 114.971 1.471 . . . . 70.4 114.971 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 90.6 m -66.66 126.8 30.09 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.071 -1.018 . . . . 52.32 112.365 164.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 111' ' ' THR . 70.8 mt -112.23 132.42 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.619 0 C-N-CA 129.045 2.938 . . . . 74.1 103.822 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.74 128.15 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 N-CA-C 105.866 -1.902 . . . . 73.23 105.866 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.93 93.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.854 1.428 . . . . 42.31 114.854 170.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.25 -39.83 94.75 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.98 1.712 . . . . 60.44 113.402 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -127.66 92.37 43.0 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 118.256 -0.878 . . . . 72.31 108.759 -161.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -69.01 -14.06 37.74 Favored 'Trans proline' 0 C--N 1.331 -0.371 0 C-N-CA 122.652 2.235 . . . . 53.45 112.535 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.82 -43.33 72.26 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.917 1.287 . . . . 73.4 110.457 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -45.22 94.75 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.183 -0.948 . . . . 71.11 110.974 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 103' ' ' ILE . 76.7 m -56.1 -46.12 79.19 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 111.71 0.263 . . . . 75.01 111.71 175.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.1 tpt -66.29 -48.23 71.08 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.809 -1.182 . . . . 72.34 113.707 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -44.75 79.7 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.807 1.643 . . . . 64.32 112.581 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.48 -41.92 99.13 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.071 0.949 . . . . 74.13 109.467 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.0 -46.8 85.93 Favored 'General case' 0 CA--C 1.494 -1.179 0 O-C-N 121.773 -0.579 . . . . 75.24 112.173 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.96 99.16 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.663 1.185 . . . . 61.21 110.978 -174.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -72.65 -28.64 62.85 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.16 -0.448 . . . . 74.1 110.87 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.8 t -69.9 -46.34 65.65 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-N 119.954 1.252 . . . . 41.31 113.383 166.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.6 t80 -55.05 -47.93 74.13 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 114.975 1.472 . . . . 62.25 114.975 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.6 ttpp -62.64 -31.76 72.69 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 124.11 0.964 . . . . 71.32 111.377 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.84 99.69 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 122.541 1.162 . . . . 62.43 112.338 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -67.6 -46.61 72.09 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.939 1.296 . . . . 75.42 114.22 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.2 pt -66.75 -22.57 29.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 119.11 -2.244 . . . . 72.45 114.258 175.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.3 -41.46 98.53 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.854 1.262 . . . . 52.13 111.891 168.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -75.49 -25.25 57.16 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.38 0.882 . . . . 74.42 113.38 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.8 mt -67.04 152.83 45.05 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 127.256 2.222 . . . . 72.34 115.319 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.87 0.35 53.29 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.859 1.264 . . . . 55.41 111.93 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.9 p-90 -129.46 154.46 46.96 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 106.663 -1.606 . . . . 73.11 106.663 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.84 42.55 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-O 118.618 -0.706 . . . . 43.54 111.396 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.36 147.44 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.381 2.054 . . . . 74.41 109.756 157.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.42 168.71 18.04 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 121.613 0.72 . . . . 53.33 109.277 165.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.71 -32.38 72.58 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.658 -1.276 . . . . 73.25 111.632 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.178 0.991 . . . . 63.33 111.989 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.15 -45.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 127.054 2.142 . . . . 74.32 111.569 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.5 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.468 -1.395 . . . . 74.12 114.053 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.84 -29.74 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.217 0 O-C-N 120.597 -1.315 . . . . 71.24 108.184 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.35 98.3 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.141 -0.811 . . . . 63.44 114.087 -174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.48 -35.47 79.24 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.517 1.658 . . . . 71.25 112.845 177.675 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.4 mt -62.11 -51.17 69.0 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 113.312 0.856 . . . . 73.44 113.312 169.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 56' ' ' ALA . 28.9 mt -68.43 -40.38 81.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.741 -1.118 . . . . 64.25 111.948 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.38 89.32 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.244 -1.535 . . . . 43.32 113.348 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -95.03 27.16 3.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.588 -0.695 . . . . 54.3 111.74 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.261 1.69 0 O-C-N 119.694 -1.879 . . . . 70.43 114.511 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 CA-C-O 117.225 -1.24 . . . . 73.11 114.746 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 93.1 mtp -65.4 -43.36 90.87 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.9 2.136 . . . . 64.24 114.589 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.37 -31.88 69.32 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.846 -1.159 . . . . 73.05 111.336 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.47 89.2 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 113.877 1.065 . . . . 74.41 113.877 168.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.6 m -60.08 -43.81 95.22 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.437 1.017 . . . . 73.32 110.181 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.28 -43.08 92.55 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 119.488 -2.008 . . . . 72.42 112.691 -175.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -77.45 -39.27 47.29 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.693 1.368 . . . . 74.44 114.693 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.19 -40.01 84.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 126.672 1.989 . . . . 65.0 110.496 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.9 mt -87.07 -10.19 53.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.325 -0.852 . . . . 62.45 110.214 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.07 48.02 13.73 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.449 1.9 . . . . 72.51 113.142 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.07 158.09 47.05 Favored Pre-proline 0 C--N 1.347 0.489 0 C-N-CA 124.952 1.301 . . . . 74.41 108.316 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.4 Cg_endo -73.51 165.96 31.08 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.477 2.118 . . . . 61.23 113.394 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.2 -30.56 71.17 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 128.256 2.622 . . . . 75.23 109.457 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.78 68.43 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.601 2.36 . . . . 22.24 113.738 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.6 m -99.91 -24.65 4.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.381 -1.449 . . . . 60.43 112.039 -173.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.7 ptm -65.21 -32.28 73.87 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.435 -1.416 . . . . 64.32 111.54 167.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -75.17 -22.52 58.01 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.581 -0.7 . . . . 61.55 112.391 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.03 -37.54 82.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.07 -1.019 . . . . 75.3 113.004 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CD2' HG12 ' A' ' 52' ' ' ILE . 16.5 t80 -60.41 -46.15 91.05 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 113.996 1.109 . . . . 64.21 113.996 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 40.2 p90 -71.75 -32.77 68.05 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 115.618 1.71 . . . . 71.32 115.618 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.19 -12.45 40.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 115.526 1.676 . . . . 62.21 115.526 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.355 0.809 0 C-N-CA 125.01 1.324 . . . . 73.51 109.941 173.553 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 112.108 0.41 . . . . 60.22 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -83.61 134.42 34.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.022 0.929 . . . . 73.41 112.093 -165.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.62 -33.03 70.98 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.184 1.793 . . . . 73.0 113.671 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.9 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.754 1.761 . . . . 63.02 115.754 170.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.47 89.15 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.689 0.677 . . . . 72.54 111.471 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.25 95.54 Favored Glycine 0 CA--C 1.489 -1.557 0 O-C-N 120.283 -1.511 . . . . 73.31 113.1 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.2 m -63.92 -41.74 97.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.316 1.046 . . . . 73.4 110.856 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -68.1 -42.06 84.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 121.087 -1.008 . . . . 63.12 111.919 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 33' ' ' PHE . 52.2 mt -59.95 -45.47 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 120.354 -1.466 . . . . 60.22 112.911 -174.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.4 pp -67.35 -28.34 67.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 114.688 1.366 . . . . 72.24 114.688 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' N ' HD12 ' A' ' 53' ' ' LEU . 52.6 t -61.83 -42.56 99.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.849 1.66 . . . . 63.54 112.295 173.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.05 -38.58 83.22 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-N 121.061 1.755 . . . . 61.23 113.662 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.81 -35.05 70.33 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 126.007 1.723 . . . . 71.13 115.394 -174.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.34 -11.17 55.24 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.178 0.807 . . . . 53.23 113.178 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -118.19 37.92 3.86 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.285 1.434 . . . . 74.14 111.948 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 68' ' ' LEU . 91.4 mt -82.01 -27.06 33.3 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 123.893 1.806 . . . . 63.4 110.66 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.34 -15.37 57.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 126.2 1.8 . . . . 71.03 112.803 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.99 -27.51 57.46 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.196 1.798 . . . . 73.22 111.446 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 mt -69.57 160.56 31.3 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.657 2.383 . . . . 72.45 111.076 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.9 126.05 28.56 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.041 -1.037 . . . . 74.44 111.056 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.31 -25.88 67.42 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.378 1.471 . . . . 74.42 113.583 -171.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.82 -32.26 63.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.977 2.111 . . . . 53.12 113.966 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 ptp -81.98 -8.41 59.67 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.043 1.292 . . . . 62.55 112.335 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 m120 62.49 27.9 16.5 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 128.303 2.641 . . . . 64.44 116.191 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.18 121.26 25.91 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 120.138 -1.602 . . . . 64.13 110.673 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -136.35 161.01 36.99 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 105.097 -2.186 . . . . 62.42 105.097 168.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -68.26 145.39 54.29 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.002 -1.11 . . . . 72.12 108.002 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 -48.3 4.03 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 120.446 -1.409 . . . . 71.35 115.005 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.59 50.33 1.98 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.594 1.557 . . . . 55.01 109.35 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.69 95.92 Favored 'General case' 0 CA--C 1.485 -1.549 0 C-N-CA 126.112 1.765 . . . . 61.12 111.462 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -61.15 -41.47 96.79 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.013 0.435 . . . . 72.23 112.004 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.32 -45.31 66.48 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 113.48 0.919 . . . . 55.31 113.48 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.67 -48.19 82.91 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.475 1.91 . . . . 65.33 112.98 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.15 94.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.241 1.016 . . . . 61.54 112.94 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.15 -36.26 83.02 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.134 1.161 . . . . 54.43 114.134 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.57 -27.5 68.67 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 120.655 -1.278 . . . . 73.34 112.309 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.11 13.53 24.98 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.875 1.67 . . . . 70.34 114.707 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.83 0.02 62.49 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 121.0 -1.062 . . . . 71.03 114.271 167.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 141.38 57.71 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.445 1.123 . . . . 74.52 111.193 163.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -81.51 169.98 16.46 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.467 -2.021 . . . . 74.13 108.115 169.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.61 -34.9 79.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.601 -1.312 . . . . 53.32 112.74 -173.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.627 1.971 . . . . 72.01 112.374 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -72.21 -36.13 69.08 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.175 0.99 . . . . 74.43 112.403 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.853 0.861 . . . . 61.45 113.311 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.85 -28.46 66.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.737 -1.227 . . . . 71.1 112.423 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.75 -42.0 96.54 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.964 1.468 . . . . 62.53 114.964 170.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 55.3 mt -63.09 -41.97 99.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.72 2.054 . . . . 74.33 112.387 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.87 -39.99 95.51 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.711 -1.243 . . . . 70.41 112.007 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.73 -42.93 97.83 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.527 -1.358 . . . . 51.41 112.706 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.87 -45.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.072 0 C-N-CA 124.423 1.089 . . . . 73.41 110.329 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' A' ' 139' ' ' LEU . 62.1 tttt -59.09 -53.8 54.29 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.795 -0.566 . . . . 75.33 111.672 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.1 -29.14 64.91 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.2 -0.938 . . . . 70.34 110.013 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -43.71 86.69 Favored 'General case' 0 C--N 1.361 1.091 0 CA-C-O 122.615 1.198 . . . . 74.04 111.814 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 100' ' ' VAL . 10.3 m -65.56 -32.1 73.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 114.222 1.193 . . . . 60.14 114.222 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.08 -25.68 67.12 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.067 1.347 . . . . 75.21 112.394 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -75.82 -40.35 55.08 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.075 1.75 . . . . 73.2 109.895 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.8 m -95.48 -29.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 C-N-CA 123.387 0.675 . . . . 74.2 111.398 -164.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.03 155.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.629 1.204 . . . . 65.22 113.96 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.4 m -66.67 122.78 18.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.926 -1.109 . . . . 72.04 111.673 164.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.1 mt -104.58 131.79 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.592 0 C-N-CA 128.558 2.743 . . . . 72.42 103.602 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -113.24 128.11 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 106.123 -1.806 . . . . 75.41 106.123 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.65 91.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.438 1.273 . . . . 73.12 114.438 171.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.88 -39.89 95.24 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.009 1.724 . . . . 51.22 113.563 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -129.89 96.13 26.91 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.827 -1.082 . . . . 64.21 109.077 -160.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.47 -13.69 38.07 Favored 'Trans proline' 0 C--N 1.329 -0.499 0 CA-C-N 123.768 2.381 . . . . 64.24 112.779 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.41 -44.57 71.13 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.144 1.378 . . . . 73.54 110.919 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -45.44 94.22 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.352 1.061 . . . . 74.43 111.667 172.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -56.29 -46.37 79.8 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.196 0.453 . . . . 65.55 111.429 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 tpt -66.52 -48.98 68.05 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.662 -1.274 . . . . 70.21 114.0 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -45.05 80.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.08 1.352 . . . . 71.53 112.588 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.45 -41.34 98.67 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.068 0.947 . . . . 73.54 109.6 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.85 -46.79 86.25 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 121.321 -0.862 . . . . 64.35 112.595 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.26 97.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 123.949 0.9 . . . . 65.34 110.87 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.0 ptm -69.85 -29.71 67.02 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 118.852 -0.594 . . . . 70.22 112.071 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 46.7 t -68.61 -46.97 67.9 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 120.521 1.509 . . . . 74.44 113.754 166.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.92 -48.58 75.43 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 115.239 1.57 . . . . 54.4 115.239 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -67.42 -22.85 65.5 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.375 -0.828 . . . . 64.43 111.988 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -65.18 -43.52 91.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.347 1.07 . . . . 63.32 112.575 176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -67.37 -45.37 76.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.894 1.278 . . . . 61.32 114.253 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.849 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.3 pt -66.53 -22.14 29.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 119.529 -1.982 . . . . 73.12 114.451 174.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.477 1.111 . . . . 63.11 111.828 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -71.05 -27.49 63.69 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.263 1.025 . . . . 72.23 113.239 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.1 mt -68.57 153.28 44.06 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.287 2.235 . . . . 62.33 115.111 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.13 0.9 52.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.591 1.156 . . . . 72.34 111.775 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -130.11 155.33 46.37 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.096 -1.446 . . . . 74.1 107.096 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.15 118.94 41.48 Favored Pre-proline 0 N--CA 1.444 -0.771 0 CA-C-O 118.602 -0.713 . . . . 63.23 111.499 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.36 154.01 65.7 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.504 2.136 . . . . 70.04 108.951 155.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -85.46 169.03 14.03 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 106.429 -1.693 . . . . 72.13 106.429 173.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.51 -33.25 73.5 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.265 -1.522 . . . . 74.21 112.285 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.59 -41.46 94.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 123.767 0.827 . . . . 64.01 112.256 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -44.72 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 C-N-CA 126.467 1.907 . . . . 75.21 112.982 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.48 86.68 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.362 0.875 . . . . 62.22 113.362 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.37 -29.14 14.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 120.59 -1.318 . . . . 75.13 107.681 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.35 -41.48 98.13 Favored Glycine 0 C--N 1.357 1.731 0 O-C-N 121.329 -0.857 . . . . 75.41 114.238 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 13.9 mt-10 -64.19 -37.47 87.6 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.844 1.322 . . . . 55.22 113.03 174.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 119' ' ' PHE . 58.6 mt -63.95 -51.92 62.13 Favored 'General case' 0 CA--C 1.477 -1.843 0 C-N-CA 124.892 1.277 . . . . 75.13 113.056 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 56' ' ' ALA . 51.9 mt -69.17 -39.02 79.0 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.817 -1.083 . . . . 75.33 112.063 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.39 98.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 119.963 -1.711 . . . . 53.33 113.319 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -91.91 34.58 1.0 Allowed 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.802 -1.186 . . . . 71.13 111.853 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.262 1.731 0 O-C-N 119.774 -1.829 . . . . 60.54 114.377 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.455 -0.739 0 CA-C-O 118.502 -0.707 . . . . 62.53 113.341 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ttt -69.4 -43.06 74.21 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.973 1.26 . . . . 75.11 112.397 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.46 -31.02 66.69 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.331 1.052 . . . . 75.24 112.04 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.75 98.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.01 0.924 . . . . 70.31 111.738 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -74.19 0.02 15.36 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.328 1.451 . . . . 72.23 113.875 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -87.71 -48.66 7.69 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.238 -2.164 . . . . 74.0 109.733 163.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.49 -37.03 37.72 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.202 -1.561 . . . . 74.13 114.456 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.54 -38.65 81.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 127.01 2.124 . . . . 74.32 110.825 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.51 -9.53 54.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 113.991 -1.459 . . . . 74.03 109.277 -173.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.55 46.63 14.55 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.662 1.985 . . . . 71.21 113.081 -176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.86 157.43 48.29 Favored Pre-proline 0 C--N 1.348 0.539 0 C-N-CA 124.541 1.137 . . . . 62.42 108.869 -175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.8 Cg_endo -75.31 167.09 27.49 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.539 2.159 . . . . 54.11 113.217 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.59 -25.65 68.06 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.676 2.39 . . . . 61.03 110.003 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.15 68.86 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.651 1.98 . . . . 65.12 113.776 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.6 m -102.93 -23.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 120.54 -1.35 . . . . 52.14 112.051 -172.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -67.91 -31.68 71.63 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.115 -1.616 . . . . 64.43 110.574 167.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.541 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.64 -21.68 61.05 Favored 'General case' 0 C--N 1.361 1.073 0 O-C-N 121.431 -0.793 . . . . 54.05 112.627 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.11 -37.57 83.23 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.124 -0.985 . . . . 72.14 112.78 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 52' ' ' ILE . 19.6 t80 -60.46 -43.88 96.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.276 1.213 . . . . 73.42 114.276 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.3 p90 -72.33 -33.96 67.72 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 116.476 2.028 . . . . 72.31 116.476 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -63.53 -21.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.275 1.83 . . . . 72.22 114.629 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.349 0.569 0 C-N-CA 127.355 2.262 . . . . 75.44 111.464 177.272 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.956 0.408 . . . . 74.23 111.259 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -87.69 133.33 33.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.904 0.882 . . . . 63.44 112.13 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.63 -31.45 70.64 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.077 1.751 . . . . 71.33 113.834 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 12.5 mt-10 -62.2 -31.34 71.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 115.399 1.629 . . . . 72.13 115.399 169.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.709 0.766 . . . . 63.45 110.804 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.27 99.35 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 120.975 -1.078 . . . . 74.2 114.04 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.81 -41.32 97.92 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.799 1.239 . . . . 50.32 111.382 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.9 -41.51 87.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 121.11 -0.993 . . . . 74.25 112.315 171.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.1 mt -59.75 -46.19 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 O-C-N 120.669 -1.27 . . . . 44.3 112.889 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -68.27 -28.53 67.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.423 1.268 . . . . 65.3 114.423 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.52 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.6 t -63.33 -42.87 99.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.889 1.676 . . . . 64.24 112.387 174.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.09 -37.11 81.54 Favored 'General case' 0 C--N 1.369 1.417 0 CA-C-N 121.088 1.767 . . . . 74.55 113.814 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.18 -36.05 72.48 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 115.818 1.784 . . . . 52.14 115.818 -174.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -70.69 -42.1 71.12 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 113.356 0.873 . . . . 65.15 113.356 165.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.96 46.59 1.37 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.41 -1.431 . . . . 72.23 113.851 -169.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.79 -12.59 30.84 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 123.54 1.638 . . . . 74.53 109.394 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.14 -28.18 69.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 127.434 2.294 . . . . 74.12 110.459 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -23.76 58.71 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.947 2.499 . . . . 52.14 111.486 -177.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD12 HD13 ' A' ' 68' ' ' LEU . 64.6 mt -76.18 160.6 29.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.855 2.462 . . . . 74.43 110.826 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.76 146.98 32.04 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.429 -1.419 . . . . 73.4 111.052 -172.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.64 -30.28 70.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.758 1.392 . . . . 75.32 114.758 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -58.59 -35.45 72.43 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.106 -1.621 . . . . 75.02 113.506 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.34 -17.63 58.1 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.948 -1.095 . . . . 72.04 112.905 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 64.42 27.07 13.58 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.803 2.841 . . . . 73.1 116.569 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.37 120.46 24.99 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.865 -1.772 . . . . 72.24 110.34 178.541 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.13 147.22 38.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.223 -1.769 . . . . 72.03 106.223 168.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.3 t60 -65.78 129.68 40.63 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.279 1.032 . . . . 74.24 111.125 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.59 -11.23 72.21 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 124.146 0.879 . . . . 71.33 114.96 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.69 25.42 9.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.805 1.302 . . . . 75.53 110.651 -172.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.11 83.06 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 124.758 1.223 . . . . 74.14 114.276 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.6 mtm -61.05 -39.02 88.26 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.761 1.164 . . . . 72.12 112.42 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.84 -45.31 44.05 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 112.985 0.735 . . . . 72.33 112.985 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 69.7 t80 -61.52 -45.1 95.62 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.352 1.861 . . . . 74.22 113.025 176.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.93 -41.78 83.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 121.207 -0.933 . . . . 40.04 112.697 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.1 mtm -63.53 -37.46 87.39 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 114.501 1.297 . . . . 72.51 114.501 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -61.5 -27.1 68.34 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.806 -1.184 . . . . 63.14 112.49 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.25 14.66 21.56 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.591 1.556 . . . . 72.33 114.6 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.35 -2.56 61.09 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 121.106 -0.996 . . . . 65.14 113.844 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 143.52 56.02 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.465 -1.021 . . . . 71.04 111.663 165.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -80.97 170.99 15.55 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 119.508 -1.995 . . . . 62.03 108.418 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.19 -34.63 78.52 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.588 -1.32 . . . . 71.1 112.683 -172.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.5 80.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.136 1.774 . . . . 71.31 112.59 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.49 -36.37 73.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.954 -1.092 . . . . 60.2 111.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.44 88.46 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.179 1.392 . . . . 73.1 112.818 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -75.49 -25.66 57.51 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.717 0.807 . . . . 75.23 111.915 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -42.05 97.05 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.81 1.411 . . . . 70.41 114.81 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.77 -41.83 99.41 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 121.239 1.836 . . . . 64.44 112.333 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.094 -1.004 . . . . 70.25 111.822 172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.74 -42.66 97.82 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.458 -1.401 . . . . 53.31 112.57 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.42 -45.14 93.8 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 124.458 1.103 . . . . 74.13 110.17 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.89 -56.41 22.62 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 121.862 -0.524 . . . . 61.03 112.046 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -68.32 -29.16 67.85 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.46 -0.775 . . . . 73.31 110.91 -174.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.0 t -66.74 -40.07 88.17 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 122.533 1.158 . . . . 52.35 113.337 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.467 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -69.27 -34.64 75.06 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.22 1.408 . . . . 74.42 114.424 172.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.35 -32.11 70.95 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.065 -1.022 . . . . 74.4 111.601 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -83.33 -20.4 34.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.537 0.735 . . . . 74.15 111.721 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.16 -29.51 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 121.495 -0.753 . . . . 73.44 111.169 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 157.18 6.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 114.692 1.367 . . . . 73.45 114.692 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 m -70.53 127.74 33.74 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.975 -1.078 . . . . 73.03 112.22 164.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 HG12 HG23 ' A' ' 111' ' ' THR . 77.3 mt -110.98 132.48 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.687 0 C-N-CA 129.847 3.259 . . . . 64.34 103.201 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.0 t -115.6 128.17 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 106.153 -1.795 . . . . 75.13 106.153 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.75 96.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 114.727 1.38 . . . . 73.01 114.727 173.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.38 -38.78 92.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.225 1.81 . . . . 75.22 112.978 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.63 89.93 42.13 Favored Pre-proline 0 C--N 1.349 0.554 0 CA-C-O 118.699 -0.667 . . . . 61.32 109.98 -158.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -69.35 -13.16 35.23 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.742 2.295 . . . . 75.32 112.73 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.65 -44.36 78.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.994 1.318 . . . . 63.52 110.482 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.14 95.45 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.156 0.982 . . . . 53.14 111.822 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' ILE . 77.2 m -56.58 -46.45 80.79 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 112.935 0.716 . . . . 72.11 112.935 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -46.69 74.12 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 117.392 2.367 . . . . 74.43 117.392 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -44.61 88.0 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.238 -1.539 . . . . 74.01 112.784 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.97 -41.7 99.62 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.902 0.881 . . . . 71.11 109.695 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.42 -46.52 85.98 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 121.603 -0.685 . . . . 73.21 112.061 175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.825 1.25 . . . . 61.43 110.837 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -72.64 -27.38 62.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.309 -0.377 . . . . 72.44 110.96 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.86 -46.75 56.85 Favored 'General case' 0 C--N 1.369 1.45 0 O-C-N 120.73 -1.231 . . . . 75.34 113.466 166.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.1 t80 -55.64 -47.39 76.72 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 114.879 1.436 . . . . 61.45 114.879 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -62.46 -33.15 74.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 121.979 0.895 . . . . 71.53 110.856 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 122.478 1.132 . . . . 64.53 111.703 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -67.64 -46.23 73.03 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 115.279 1.585 . . . . 75.52 115.279 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.1 pt -67.48 -21.2 27.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 118.596 -2.565 . . . . 55.41 115.453 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -61.78 -41.23 97.46 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.751 1.22 . . . . 75.42 111.612 168.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -76.02 -24.42 55.24 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 121.742 0.782 . . . . 32.32 113.103 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.86 154.05 42.71 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.419 2.288 . . . . 64.45 115.508 -172.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -84.05 0.17 49.3 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.994 1.318 . . . . 61.35 111.836 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -134.79 155.98 49.66 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.237 -1.764 . . . . 72.15 106.237 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.39 37.75 Favored Pre-proline 0 N--CA 1.444 -0.767 0 CA-C-O 118.504 -0.76 . . . . 71.13 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.58 151.79 70.12 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.623 2.215 . . . . 74.51 109.532 157.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.3 p -84.46 168.86 15.1 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.968 -1.493 . . . . 61.42 106.968 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.52 -29.34 70.49 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.277 -1.515 . . . . 74.21 113.09 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.32 -38.4 83.59 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.988 0.915 . . . . 72.32 111.858 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -45.38 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 C-N-CA 127.474 2.309 . . . . 74.3 111.144 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.58 84.72 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.416 -1.427 . . . . 72.43 113.966 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.35 -30.19 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 C-N-CA 118.298 -1.361 . . . . 74.42 109.101 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -43.04 99.18 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-O 119.273 -0.737 . . . . 74.12 114.219 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.92 -35.35 79.79 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.446 1.623 . . . . 74.43 113.038 178.017 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.2 mt -63.39 -51.11 67.18 Favored 'General case' 0 CA--C 1.474 -1.952 0 C-N-CA 124.721 1.209 . . . . 74.44 112.434 172.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.3 mt -70.03 -40.9 74.91 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.281 -1.327 . . . . 74.04 111.706 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.82 92.18 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 120.267 -1.521 . . . . 75.12 114.094 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.92 29.62 3.0 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.835 -1.166 . . . . 73.24 111.496 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.1 t . . . . . 0 C--O 1.265 1.88 0 O-C-N 119.761 -1.837 . . . . 62.33 113.474 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.455 -0.765 0 CA-C-O 118.682 -0.632 . . . . 74.53 112.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ttt -72.16 -42.77 65.55 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.596 1.089 . . . . 73.43 111.741 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.41 -32.26 69.81 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.179 0.992 . . . . 70.35 112.07 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.77 96.27 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 121.171 -0.956 . . . . 70.33 111.956 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.57 -2.27 16.42 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.907 1.283 . . . . 71.04 114.455 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.16 -49.11 7.99 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.426 -2.046 . . . . 74.43 110.378 163.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.67 -36.92 36.99 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.206 -1.559 . . . . 75.1 114.65 -173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.43 -37.94 79.39 Favored 'General case' 0 CA--C 1.495 -1.148 0 C-N-CA 127.59 2.356 . . . . 53.33 110.351 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.64 -9.57 49.12 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.206 -1.361 . . . . 60.33 109.376 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.15 46.51 15.89 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.802 2.041 . . . . 64.41 113.268 -175.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.94 156.89 49.63 Favored Pre-proline 0 C--N 1.348 0.525 0 C-N-CA 124.232 1.013 . . . . 74.13 108.912 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -75.27 166.5 28.75 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.49 2.127 . . . . 64.21 113.719 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.75 -25.69 68.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.723 2.409 . . . . 74.41 110.343 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.22 69.18 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 126.333 1.853 . . . . 74.42 114.418 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG11 ' CD ' ' A' ' 47' ' ' GLU . 4.6 m -103.15 -26.52 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 118.741 -1.184 . . . . 61.44 110.935 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -64.91 -28.3 69.44 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 118.551 -2.593 . . . . 74.13 111.239 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -74.18 -18.62 60.74 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-O 122.004 0.907 . . . . 53.31 113.197 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -72.6 -30.05 64.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 121.365 -0.834 . . . . 73.1 110.842 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.405 ' CD2' HG12 ' A' ' 52' ' ' ILE . 14.6 t80 -63.32 -45.48 91.13 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 114.015 1.117 . . . . 74.22 114.015 172.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.4 p90 -71.47 -34.27 70.04 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.127 -1.608 . . . . 75.01 115.137 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.48 -17.25 64.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.201 1.4 . . . . 65.13 114.442 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.349 0.571 0 C-N-CA 126.885 2.074 . . . . 71.42 110.973 176.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.142 0.496 . . . . 74.43 111.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -87.05 134.47 33.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.384 1.073 . . . . 74.34 111.86 -167.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -59.76 -32.7 70.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.505 1.922 . . . . 63.01 113.533 -173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.8 mt-10 -63.01 -30.13 71.36 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 116.502 2.038 . . . . 72.05 116.502 169.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.84 89.23 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 118.612 0.642 . . . . 73.22 111.359 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.19 97.13 Favored Glycine 0 CA--C 1.488 -1.606 0 O-C-N 120.513 -1.367 . . . . 72.13 112.949 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.317 1.047 . . . . 74.34 110.977 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.31 -42.44 84.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 O-C-N 121.278 -0.888 . . . . 74.02 111.95 172.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.8 mt -60.12 -45.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.76 -1.213 . . . . 72.34 112.418 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.89 -28.47 67.54 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.917 1.451 . . . . 72.13 114.917 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.9 t -64.44 -41.17 96.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.135 1.774 . . . . 55.0 112.695 173.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.61 -38.75 85.74 Favored 'General case' 0 C--N 1.367 1.338 0 CA-C-N 122.405 2.366 . . . . 74.25 112.782 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.35 -36.87 66.77 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 126.051 1.74 . . . . 74.33 114.404 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.81 -18.43 44.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.234 -0.916 . . . . 71.13 112.144 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.67 33.52 4.93 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.037 1.735 . . . . 70.01 112.707 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.5 mt -78.75 -23.8 45.17 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 119.889 -1.757 . . . . 75.41 110.692 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.96 -25.56 67.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 126.766 2.026 . . . . 71.25 111.359 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -28.97 65.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.405 2.282 . . . . 51.53 111.55 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD12 HD13 ' A' ' 68' ' ' LEU . 66.1 mt -68.86 161.56 28.37 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.961 2.104 . . . . 71.3 112.833 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -63.75 131.43 47.85 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.087 -1.008 . . . . 72.21 112.64 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.91 -27.28 69.26 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.623 -1.298 . . . . 61.45 113.306 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.22 -35.05 69.2 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.711 -1.243 . . . . 75.34 113.396 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.19 -12.72 59.11 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.618 -1.301 . . . . 63.32 112.708 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 62.08 27.02 16.31 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.976 2.51 . . . . 75.13 116.45 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.13 122.53 27.47 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.01 -1.681 . . . . 74.05 111.453 178.231 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.58 144.76 36.02 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.59 -2.004 . . . . 74.34 105.59 165.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.96 138.64 54.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.692 1.711 . . . . 75.41 115.152 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.95 -12.31 69.46 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 112.594 -2.094 . . . . 61.1 114.725 -172.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 31.16 6.36 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.861 1.331 . . . . 64.01 110.985 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.11 88.72 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.341 1.237 . . . . 71.34 114.341 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.0 mtp -61.7 -40.42 94.96 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 119.606 1.094 . . . . 72.41 112.768 -175.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.23 -44.87 67.69 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 113.038 0.755 . . . . 71.24 113.038 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.54 -48.14 83.1 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.789 2.035 . . . . 74.3 113.047 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.05 94.18 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.074 -1.016 . . . . 71.42 113.331 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.9 -35.15 79.71 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.908 1.077 . . . . 73.52 113.908 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.21 -28.19 68.97 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.76 -1.213 . . . . 55.14 112.631 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.81 14.15 22.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 125.915 1.686 . . . . 74.15 114.529 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.89 -1.54 63.41 Favored Glycine 0 C--N 1.35 1.357 0 O-C-N 121.128 -0.982 . . . . 50.31 114.075 167.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.19 140.69 58.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 118.472 1.136 . . . . 74.12 111.581 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -80.99 169.82 17.03 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 119.525 -1.984 . . . . 74.44 108.169 168.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -34.81 79.21 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.605 -1.309 . . . . 63.23 112.62 -172.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.7 86.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.362 1.865 . . . . 63.25 112.538 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -68.07 -39.25 83.0 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.482 1.113 . . . . 75.54 112.341 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.21 87.41 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 123.651 0.78 . . . . 72.23 112.985 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.54 -28.4 65.97 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.869 -1.144 . . . . 74.4 111.976 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.05 -43.0 99.54 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 115.314 1.598 . . . . 71.34 115.314 170.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.2 mt -63.35 -41.62 98.86 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 121.622 2.01 . . . . 73.42 112.181 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.99 -39.97 95.33 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.756 -1.215 . . . . 74.02 112.006 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.09 -42.42 96.95 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.35 -1.468 . . . . 50.12 112.549 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.66 -45.28 94.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 124.513 1.125 . . . . 72.12 109.925 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -59.76 -53.81 53.66 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 121.787 -0.57 . . . . 72.14 111.61 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.01 -24.88 59.63 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 120.738 -1.226 . . . . 71.52 111.476 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -64.92 -43.86 91.43 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-O 122.715 1.245 . . . . 73.4 111.714 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.477 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.96 -32.25 73.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.669 1.359 . . . . 54.04 114.669 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.49 -26.55 67.98 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 125.174 1.389 . . . . 74.32 112.312 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -77.37 -42.84 34.91 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.08 1.752 . . . . 63.14 110.164 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' CYS . 21.1 m -83.9 -34.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.367 0.667 . . . . 72.42 112.391 -171.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.43 155.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 122.726 1.25 . . . . 72.32 114.103 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -67.14 123.57 20.66 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.882 -1.136 . . . . 72.1 111.718 164.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -104.39 132.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 C-N-CA 128.822 2.849 . . . . 73.32 103.767 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -112.68 128.21 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 N-CA-C 106.103 -1.814 . . . . 51.25 106.103 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.3 89.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.245 1.202 . . . . 73.51 114.245 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -64.25 -38.08 89.78 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.778 1.631 . . . . 61.1 114.583 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -130.56 98.89 19.42 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-O 117.58 -1.2 . . . . 63.14 109.15 -162.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.77 -13.97 38.1 Favored 'Trans proline' 0 C--N 1.326 -0.629 0 CA-C-N 124.048 2.482 . . . . 71.12 112.628 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.2 -45.13 67.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.102 1.361 . . . . 54.34 110.909 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -45.09 96.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.922 -1.111 . . . . 72.5 112.007 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -56.72 -46.38 81.32 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.444 0.565 . . . . 50.33 111.733 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.82 -48.77 70.58 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.712 -1.242 . . . . 74.13 113.82 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -45.45 78.03 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.817 1.247 . . . . 70.2 112.847 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.36 -41.11 98.34 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.027 0.931 . . . . 64.24 109.375 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.02 -46.8 85.88 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.472 -0.767 . . . . 53.44 112.564 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.26 99.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 124.381 1.072 . . . . 70.24 111.072 -173.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -71.09 -29.48 65.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.025 -0.534 . . . . 73.35 111.674 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.4 t -69.58 -46.67 65.81 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-N 120.383 1.447 . . . . 64.31 113.7 166.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.2 t80 -55.63 -48.07 75.56 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.029 1.492 . . . . 72.44 115.029 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.2 tptt -62.01 -31.8 72.23 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.628 1.171 . . . . 60.13 112.344 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.63 98.43 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.249 1.023 . . . . 75.01 112.189 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.19 -46.27 71.12 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.17 1.388 . . . . 75.42 114.259 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 126' ' ' LEU . 15.3 pt -66.17 -22.57 30.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.07 -2.269 . . . . 74.12 114.39 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.58 -37.24 85.41 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.546 1.138 . . . . 73.15 111.752 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.28 -26.21 58.59 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.986 0.914 . . . . 74.05 112.664 -174.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.4 mt -68.9 151.23 46.83 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.478 2.311 . . . . 75.42 115.483 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -84.59 0.03 51.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.748 -1.569 . . . . 53.13 112.563 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -131.02 154.99 47.6 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.47 -1.678 . . . . 72.14 106.47 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.64 117.68 42.16 Favored Pre-proline 0 N--CA 1.443 -0.806 0 CA-C-O 118.508 -0.758 . . . . 74.53 111.333 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.07 146.85 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.26 1.973 . . . . 63.5 108.901 155.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.5 t -79.69 165.44 22.84 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.822 -0.807 . . . . 73.31 108.822 164.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -30.83 71.48 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.815 -1.178 . . . . 73.54 112.31 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.82 -42.08 92.7 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 112.673 0.62 . . . . 75.11 112.673 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -84.42 -44.69 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 126.482 1.913 . . . . 73.34 114.163 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.342 -0.849 . . . . 73.34 113.109 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.14 -28.58 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.139 0 O-C-N 120.925 -1.109 . . . . 70.12 108.346 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.8 99.78 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.934 -0.925 . . . . 74.44 113.878 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.98 -36.95 86.07 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.417 1.609 . . . . 72.14 113.242 174.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 119' ' ' PHE . 59.5 mt -62.52 -51.56 66.92 Favored 'General case' 0 CA--C 1.481 -1.689 0 N-CA-C 113.369 0.877 . . . . 74.43 113.369 171.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 56' ' ' ALA . 46.6 mt -69.58 -40.06 76.94 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 114.862 -1.063 . . . . 70.32 111.439 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.28 94.22 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.126 -1.609 . . . . 73.0 113.466 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -95.93 32.99 1.77 Allowed 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.004 -1.06 . . . . 70.02 111.363 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.025 -1.672 . . . . 63.25 114.506 179.776 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 N--CA 1.455 -0.762 0 CA-C-O 117.622 -1.074 . . . . 73.02 114.747 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.2 mtp -64.77 -43.67 92.49 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.079 1.763 . . . . 72.32 113.567 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.35 -31.51 67.45 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 121.035 -1.04 . . . . 75.3 111.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.08 94.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 113.329 0.863 . . . . 73.13 113.329 168.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.3 m -60.21 -44.19 95.35 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.334 0.97 . . . . 73.22 110.345 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -59.3 -42.94 92.51 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 119.638 -1.914 . . . . 72.13 112.627 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.22 -39.74 47.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.549 1.314 . . . . 60.51 114.549 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.59 -39.7 85.02 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 127.589 2.356 . . . . 75.21 110.209 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -87.7 -6.44 58.21 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.104 -0.953 . . . . 61.34 110.231 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.49 46.22 21.03 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.309 2.244 . . . . 74.54 113.634 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.01 158.2 44.69 Favored Pre-proline 0 C--N 1.349 0.583 0 C-N-CA 124.55 1.14 . . . . 75.04 108.95 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.487 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -74.5 167.11 27.89 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.536 2.157 . . . . 73.31 113.418 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.34 -33.42 73.6 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.063 2.545 . . . . 71.25 109.415 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.41 64.58 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.84 2.456 . . . . 75.52 113.784 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.9 m -100.0 -26.47 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 120.631 -1.293 . . . . 72.41 111.989 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.2 ptm -65.36 -34.19 77.73 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.551 -1.343 . . . . 73.22 112.282 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -71.49 -22.64 61.77 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.256 1.027 . . . . 44.44 111.88 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.21 -32.81 72.33 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.189 0.996 . . . . 63.35 110.782 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' HG12 ' A' ' 52' ' ' ILE . 10.6 t80 -61.19 -47.36 86.47 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 113.703 1.001 . . . . 74.34 113.703 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 44.6 p90 -71.68 -30.43 65.68 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 120.068 -1.645 . . . . 75.5 114.704 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.87 -5.01 14.58 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 114.494 1.294 . . . . 75.44 114.494 171.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.357 0.932 0 C-N-CA 124.827 1.251 . . . . 73.0 109.468 170.187 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.763 0.316 . . . . 55.44 111.83 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -87.99 134.54 33.71 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.061 0.944 . . . . 72.43 112.394 -168.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -60.13 -32.81 71.36 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.274 1.829 . . . . 75.22 113.677 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.8 mt-10 -62.63 -31.69 72.59 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.71 1.744 . . . . 70.35 115.71 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.16 -41.92 89.51 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.952 0.882 . . . . 72.24 110.479 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -41.07 99.91 Favored Glycine 0 CA--C 1.492 -1.395 0 C-N-CA 124.466 1.032 . . . . 61.35 113.76 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.87 -41.51 95.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.178 0.991 . . . . 65.14 111.456 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.2 -41.22 86.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 120.913 -1.117 . . . . 54.31 112.153 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 33' ' ' PHE . 42.7 mt -59.06 -45.84 92.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 O-C-N 120.311 -1.493 . . . . 62.13 113.362 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.03 -29.18 68.91 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 114.367 1.247 . . . . 63.21 114.367 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.1 t -62.42 -42.36 99.39 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.137 1.375 . . . . 73.32 112.131 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -38.05 83.35 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-N 121.042 1.746 . . . . 73.45 114.322 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.45 -37.74 76.06 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 115.035 1.495 . . . . 64.42 115.035 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 -41.83 77.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.115 0.959 . . . . 64.33 112.81 167.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -92.02 43.95 1.15 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.573 -1.329 . . . . 75.53 113.526 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.3 mt -89.35 -23.36 22.25 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 123.494 1.616 . . . . 65.15 109.75 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.79 -15.78 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.12 1.368 . . . . 54.43 112.397 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.83 -25.88 60.31 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.613 1.965 . . . . 53.42 111.928 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 68' ' ' LEU . 62.2 mt -75.11 162.34 28.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.395 2.278 . . . . 63.53 110.83 -172.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.01 142.51 41.84 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 120.646 -1.284 . . . . 71.34 112.909 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -63.38 -28.98 70.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.88 -1.138 . . . . 64.13 113.736 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.61 -36.83 72.29 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.541 -1.35 . . . . 61.05 113.009 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -80.8 -11.52 59.59 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.888 -1.132 . . . . 74.04 112.737 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 62.4 25.67 15.31 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 128.033 2.533 . . . . 70.21 116.546 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.75 122.51 27.76 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 119.959 -1.713 . . . . 63.5 111.119 178.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -142.12 154.55 44.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.155 -1.794 . . . . 63.25 106.155 167.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -72.36 139.63 48.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.746 1.26 . . . . 74.04 112.704 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.61 -14.33 64.28 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 115.833 1.093 . . . . 70.21 115.833 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -115.98 45.14 1.79 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.036 1.418 . . . . 73.34 109.4 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.82 90.63 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 124.742 1.217 . . . . 74.4 113.248 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.69 -40.6 95.57 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 119.686 1.13 . . . . 71.01 112.57 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.26 -44.95 74.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.195 0.813 . . . . 64.51 113.195 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.67 -49.17 78.57 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.137 1.775 . . . . 75.53 113.342 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 124.59 1.156 . . . . 64.41 112.996 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 96.5 mtp -63.93 -36.03 82.61 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 113.822 1.045 . . . . 72.34 113.822 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -61.21 -27.8 68.69 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.655 -1.278 . . . . 71.23 112.595 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.26 13.66 20.6 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 125.668 1.587 . . . . 70.14 114.458 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.94 -0.58 62.62 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 121.039 -1.038 . . . . 74.33 114.251 167.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.42 57.73 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.498 1.149 . . . . 63.55 111.721 164.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -81.34 168.41 18.43 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.494 -2.004 . . . . 72.1 107.875 168.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.07 -35.19 80.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.653 -1.279 . . . . 70.14 112.663 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.81 84.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.221 1.808 . . . . 53.44 112.265 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -70.15 -36.67 74.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.964 -1.085 . . . . 75.14 112.397 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.03 88.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.247 0.832 . . . . 71.51 113.247 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -68.75 -27.64 66.09 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.772 -1.205 . . . . 72.44 112.253 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.96 -42.29 97.99 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 115.152 1.538 . . . . 73.34 115.152 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.444 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.2 mt -63.04 -41.84 99.61 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 121.641 2.019 . . . . 65.12 112.264 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.03 -40.64 96.77 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.036 -1.04 . . . . 71.03 111.878 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.53 -42.84 98.41 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 120.544 -1.347 . . . . 63.44 112.526 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.39 -45.61 93.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.406 1.083 . . . . 54.11 110.293 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.92 -56.91 16.15 Favored 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 122.106 -0.371 . . . . 60.0 111.989 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -68.6 -29.51 68.06 Favored 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 121.424 -0.798 . . . . 75.13 110.865 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -66.42 -43.08 86.71 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.246 1.022 . . . . 73.01 112.219 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.3 m -65.55 -32.06 73.44 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.096 1.358 . . . . 73.05 114.657 174.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.09 -29.62 69.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.021 -1.049 . . . . 70.43 111.359 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -70.65 -41.34 72.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.795 2.438 . . . . 72.41 110.098 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.4 m -94.55 -28.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 115.675 -0.693 . . . . 70.13 111.156 -164.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.6 157.09 6.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-O 122.78 1.276 . . . . 55.33 113.738 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -69.34 124.07 22.87 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.814 -1.179 . . . . 60.24 111.757 164.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.4 mt -104.47 131.93 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 0 C-N-CA 129.413 3.085 . . . . 74.51 103.52 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.34 127.7 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 N-CA-C 106.427 -1.694 . . . . 53.24 106.427 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.58 94.43 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.762 1.393 . . . . 74.35 114.762 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.81 -39.08 93.39 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.317 1.847 . . . . 74.4 112.797 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.55 97.95 18.73 Favored Pre-proline 0 C--N 1.349 0.565 0 CA-C-O 118.103 -0.951 . . . . 72.42 110.857 -159.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.17 -13.7 36.63 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 CA-C-N 123.549 2.303 . . . . 74.31 112.918 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.37 -45.52 72.56 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.04 1.336 . . . . 64.44 110.898 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -45.51 93.68 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.353 1.061 . . . . 74.43 112.609 168.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 m -57.39 -46.41 83.48 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.163 0.892 . . . . 73.15 112.81 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -46.83 75.5 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 117.667 2.469 . . . . 75.23 117.667 169.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -44.58 84.03 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.23 -1.544 . . . . 53.02 112.717 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.75 -41.29 99.13 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.847 0.859 . . . . 71.24 109.385 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.63 -46.8 84.06 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 121.427 -0.795 . . . . 72.51 112.521 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.67 97.56 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.608 1.163 . . . . 71.33 111.038 -174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.0 ptp -67.77 -31.96 72.21 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.015 -0.539 . . . . 72.11 111.482 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.4 t -70.69 -46.61 62.83 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 120.246 1.384 . . . . 73.24 113.68 169.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.75 -48.4 75.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.967 1.469 . . . . 70.22 114.967 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.8 tptt -63.88 -29.63 70.79 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.637 0.732 . . . . 54.32 112.201 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.81 -43.3 99.11 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 122.335 1.064 . . . . 74.34 111.882 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -67.76 -46.22 72.68 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 125.363 1.465 . . . . 74.55 114.72 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 126' ' ' LEU . 36.1 pt -66.77 -21.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 O-C-N 118.542 -2.599 . . . . 74.51 115.78 172.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.11 -37.89 89.0 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.004 0.921 . . . . 74.02 111.625 168.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -76.17 -25.16 54.98 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 121.416 -0.802 . . . . 74.34 112.952 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.0 mt -68.19 153.09 44.44 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.215 2.206 . . . . 73.24 115.178 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -0.17 54.44 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.756 1.222 . . . . 70.14 111.758 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -131.01 154.88 47.71 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 106.771 -1.566 . . . . 74.23 106.771 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.97 118.2 42.86 Favored Pre-proline 0 N--CA 1.443 -0.793 0 CA-C-O 118.57 -0.729 . . . . 74.54 111.352 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.46 152.39 70.83 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.582 2.188 . . . . 74.33 108.849 156.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.6 p -83.2 167.59 17.57 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 106.419 -1.697 . . . . 43.51 106.419 172.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.6 -31.54 72.4 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.252 -1.53 . . . . 54.11 112.526 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -60.65 -40.28 91.46 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.385 -0.822 . . . . 51.32 112.493 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.37 -45.08 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 C-N-CA 126.266 1.827 . . . . 74.43 112.285 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.21 84.21 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 113.275 0.842 . . . . 73.52 113.275 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.94 -27.8 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.081 0 C-N-CA 118.667 -1.213 . . . . 71.51 108.715 175.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.44 99.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.091 -0.838 . . . . 71.12 113.784 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.0 mt-10 -64.92 -36.34 84.06 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.216 1.508 . . . . 71.51 113.451 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . 0.267 59.4 mt -62.51 -53.53 53.33 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 121.366 -0.834 . . . . 72.45 112.87 172.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 56' ' ' ALA . 62.0 mt -68.6 -39.7 80.76 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 114.808 -1.087 . . . . 73.02 112.637 -177.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.61 92.37 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.275 -1.515 . . . . 71.41 113.34 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.03 34.72 1.68 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.349 -0.845 . . . . 63.43 111.272 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 10.3 t . . . . . 0 C--O 1.261 1.677 0 O-C-N 119.978 -1.701 . . . . 63.12 114.289 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 118.517 -0.701 . . . . 54.22 113.702 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.2 tpp -70.41 -42.5 71.56 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.949 1.249 . . . . 73.51 112.059 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.21 -32.94 71.07 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.42 1.088 . . . . 74.33 111.81 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.06 95.42 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 121.226 -0.921 . . . . 74.23 111.694 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.0 m -70.5 -1.12 9.92 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.541 1.536 . . . . 75.55 114.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -47.77 7.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 119.618 -1.926 . . . . 72.4 110.1 164.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -79.53 -36.73 38.0 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.564 -1.96 . . . . 62.11 114.599 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -59.35 -38.0 79.28 Favored 'General case' 0 CA--C 1.493 -1.224 0 C-N-CA 128.006 2.522 . . . . 73.33 110.308 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.77 -7.19 57.63 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.214 -1.357 . . . . 74.41 109.255 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.13 46.04 19.69 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.205 2.602 . . . . 70.35 113.52 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.37 160.57 35.48 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 124.537 1.135 . . . . 44.25 110.56 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.1 Cg_endo -72.0 163.73 37.89 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.582 2.188 . . . . 71.13 113.387 170.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.99 -25.84 68.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.575 2.75 . . . . 65.22 109.862 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.07 77.63 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.092 1.757 . . . . 42.32 113.14 174.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.7 m -83.08 -34.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 O-C-N 120.262 -1.524 . . . . 71.14 112.598 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -68.5 -31.78 71.29 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 119.835 -1.791 . . . . 71.3 111.542 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.55 -16.53 60.25 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 121.187 -0.946 . . . . 73.23 112.366 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.9 -37.71 80.2 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.362 -0.836 . . . . 71.21 112.578 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.61 -40.62 92.49 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.052 1.13 . . . . 74.52 114.052 169.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -65.36 -42.34 92.89 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 119.769 -1.832 . . . . 62.33 113.642 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -65.16 -24.99 67.55 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.127 2.171 . . . . 53.0 114.483 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.347 0.459 0 C-N-CA 127.597 2.359 . . . . 74.42 111.887 -179.138 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 CA--C 1.515 -0.403 0 CA-C-O 120.888 0.375 . . . . 71.42 110.042 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -86.12 126.94 34.57 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.319 1.048 . . . . 72.23 108.742 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.66 -34.73 71.55 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.493 1.917 . . . . 72.13 113.056 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.06 -24.03 65.02 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 117.986 2.587 . . . . 73.44 117.986 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.79 68.44 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 119.762 1.165 . . . . 53.41 109.078 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.22 99.28 Favored Glycine 0 CA--C 1.492 -1.381 0 C-N-CA 124.807 1.194 . . . . 52.42 114.648 169.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.9 -37.45 81.73 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 119.183 1.492 . . . . 73.41 111.79 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.88 -41.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 O-C-N 121.119 -0.988 . . . . 64.21 112.052 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.0 mt -59.77 -46.82 93.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 O-C-N 120.419 -1.426 . . . . 63.35 112.748 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.4 -27.21 66.02 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 114.81 1.411 . . . . 64.41 114.81 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.481 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.5 t -63.58 -44.62 93.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.928 1.291 . . . . 75.52 111.994 172.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.92 -38.2 90.02 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 121.492 1.951 . . . . 63.22 113.274 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.89 -36.69 72.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 115.363 1.616 . . . . 65.24 115.363 -174.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.32 -41.75 63.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.833 0.825 . . . . 71.33 112.455 167.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.28 48.39 1.49 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.618 -1.301 . . . . 70.0 113.479 -169.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 68' ' ' LEU . 83.9 mt -94.25 -10.63 32.3 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.714 1.721 . . . . 71.11 108.98 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.2 -32.47 73.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 128.122 2.569 . . . . 61.33 109.701 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.17 -28.07 66.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.224 3.01 . . . . 73.35 111.519 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' LEU . 73.6 mt -71.75 158.92 35.25 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.399 2.28 . . . . 73.32 111.642 -175.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.71 148.73 28.82 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 120.832 -1.167 . . . . 53.33 110.369 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -61.25 -31.78 71.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.33 1.233 . . . . 72.13 114.33 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.19 -29.47 68.72 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.635 -1.291 . . . . 72.35 114.335 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ptp -84.55 -6.94 59.41 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.704 1.138 . . . . 74.23 112.343 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.3 m120 65.57 16.89 10.72 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.794 2.838 . . . . 74.1 116.129 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -85.26 122.76 29.91 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.953 -1.717 . . . . 72.51 110.976 -176.219 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -140.5 151.3 44.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.565 -1.642 . . . . 74.33 106.565 165.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.528 ' HE1' HG22 ' A' ' 143' ' ' THR . 10.9 t60 -65.47 132.85 49.97 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.168 0.987 . . . . 73.5 111.03 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.72 58.94 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.21 0.91 . . . . 63.21 114.77 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -100.92 23.64 10.38 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.228 1.411 . . . . 72.43 111.392 -167.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.95 78.84 Favored 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 125.677 1.591 . . . . 71.51 114.136 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 65.4 mtt -60.87 -39.62 89.89 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.866 0.757 . . . . 71.14 112.415 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -75.24 -44.37 46.47 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.538 0.735 . . . . 74.32 112.893 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.91 -47.78 84.37 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.074 2.149 . . . . 64.15 113.212 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.18 95.65 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 121.127 -0.983 . . . . 65.25 112.98 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.77 -36.52 84.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.189 0.996 . . . . 72.01 113.607 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -61.61 -28.46 69.38 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.825 -1.172 . . . . 73.23 112.596 172.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.59 13.74 23.19 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.739 1.616 . . . . 74.44 114.775 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.6 1.34 64.0 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.017 -1.052 . . . . 74.25 114.346 167.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.25 140.96 57.39 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.487 1.144 . . . . 60.11 111.006 163.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -82.77 171.59 13.79 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.756 -1.84 . . . . 73.03 108.396 170.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.87 -32.71 74.54 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.393 -1.442 . . . . 53.51 112.903 -171.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.8 -45.81 73.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.778 1.631 . . . . 72.42 112.249 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -64.37 -40.93 96.82 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.427 1.891 . . . . 64.13 113.377 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.97 88.09 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.919 0.866 . . . . 74.51 112.841 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -27.52 61.83 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.567 -1.333 . . . . 74.2 111.99 175.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -43.13 98.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.466 1.654 . . . . 75.22 115.466 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.28 -40.94 98.8 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.866 2.121 . . . . 74.42 112.168 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.18 -40.45 96.13 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.987 -1.071 . . . . 71.25 112.008 172.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' A' ' 95' ' ' HIS . 39.0 t70 -65.02 -40.26 94.62 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.122 1.369 . . . . 70.31 113.867 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.39 -45.84 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 120.616 -1.303 . . . . 70.54 110.469 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -66.67 -44.5 81.63 Favored 'General case' 0 CA--C 1.492 -1.259 0 C-N-CA 118.569 -1.252 . . . . 63.33 109.023 -171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 92' ' ' ASP . 2.4 p80 -64.73 -34.79 79.14 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.812 1.292 . . . . 71.15 108.382 -171.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 t -66.08 -39.76 90.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.334 -1.757 . . . . 42.34 112.248 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.5 ' HA ' HG22 ' A' ' 100' ' ' VAL . 36.1 m -69.72 -36.83 76.22 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.209 1.189 . . . . 73.03 114.209 169.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.43 -32.49 71.41 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.665 -1.272 . . . . 51.33 112.118 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -82.93 -20.08 36.01 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.617 1.167 . . . . 64.13 111.758 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.8 m -100.85 -32.13 3.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 O-C-N 121.492 -0.755 . . . . 54.15 111.248 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -69.78 154.22 8.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 122.811 1.291 . . . . 65.0 114.36 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -66.7 126.34 28.68 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.911 -1.118 . . . . 54.11 112.093 165.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.416 HG12 HG23 ' A' ' 111' ' ' THR . 72.9 mt -111.32 132.46 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 C-N-CA 129.298 3.039 . . . . 74.13 103.317 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 t -115.45 127.72 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 105.926 -1.879 . . . . 61.05 105.926 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.42 91.84 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.404 1.261 . . . . 73.34 114.404 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -64.9 -37.89 89.16 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.532 1.533 . . . . 71.14 114.309 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -128.56 92.24 41.27 Favored Pre-proline 0 C--N 1.35 0.614 0 CA-C-O 118.017 -0.992 . . . . 64.31 109.565 -163.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.87 -13.54 38.77 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.635 2.224 . . . . 75.23 112.676 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.79 -44.13 78.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.125 1.37 . . . . 70.05 110.733 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.7 95.54 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.575 1.15 . . . . 61.04 111.138 173.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.416 HG23 HG12 ' A' ' 103' ' ' ILE . 79.3 m -56.45 -46.87 80.1 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 112.658 0.614 . . . . 74.52 112.658 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -46.78 76.53 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 116.579 2.066 . . . . 74.3 116.579 171.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -45.06 87.97 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.465 -1.397 . . . . 72.52 112.875 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.23 -41.82 99.16 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.009 0.923 . . . . 73.11 109.828 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.94 -46.8 86.04 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 121.628 -0.67 . . . . 62.24 112.161 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.91 98.91 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.885 1.274 . . . . 53.21 110.414 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -73.86 -28.89 61.81 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.761 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 45.9 t -70.22 -46.12 65.14 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.678 -1.264 . . . . 74.34 113.422 166.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.7 t80 -55.0 -47.45 74.65 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 115.255 1.576 . . . . 74.43 115.255 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 123' ' ' ILE . 33.3 ttpt -61.56 -33.15 73.35 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-O 122.077 0.942 . . . . 61.15 110.951 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.84 -42.56 99.19 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 122.481 1.134 . . . . 64.02 112.118 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.82 -46.15 69.37 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 125.084 1.354 . . . . 71.25 114.467 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.832 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -66.33 -22.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 O-C-N 119.139 -2.226 . . . . 72.5 114.29 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.77 -40.85 96.6 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.697 1.199 . . . . 60.44 111.683 169.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -72.02 -27.49 62.76 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.927 0.891 . . . . 61.1 113.218 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -68.16 152.09 46.01 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 127.055 2.142 . . . . 75.22 115.389 -171.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -87.34 1.02 54.53 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.875 1.27 . . . . 63.21 111.754 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -130.48 154.84 47.35 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 106.521 -1.659 . . . . 75.24 106.521 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.34 118.65 43.48 Favored Pre-proline 0 N--CA 1.445 -0.702 0 CA-C-O 118.551 -0.738 . . . . 62.45 111.66 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.5 153.87 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.505 2.137 . . . . 52.14 108.803 155.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -84.22 168.18 15.97 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 106.27 -1.752 . . . . 74.4 106.27 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.97 -33.36 74.15 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.235 -1.54 . . . . 63.4 112.471 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -60.4 -40.68 91.79 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.419 -0.801 . . . . 55.33 112.277 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.37 -45.26 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 126.278 1.831 . . . . 63.42 112.881 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.35 -47.07 85.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 121.399 -0.813 . . . . 34.33 113.007 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.25 -29.87 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 119.02 -1.072 . . . . 54.35 108.663 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.78 99.56 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 121.53 -0.731 . . . . 31.52 114.047 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 14.6 mt-10 -64.24 -38.27 90.43 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.583 1.191 . . . . 74.2 113.208 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 119' ' ' PHE . 43.9 mt -64.71 -50.45 66.9 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.438 1.095 . . . . 74.0 113.315 173.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 56' ' ' ALA . 52.6 mt -67.81 -39.37 83.98 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.934 -1.03 . . . . 62.24 111.735 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.04 95.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 114.584 1.327 . . . . 72.12 114.584 171.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -98.15 38.29 1.34 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.607 -1.308 . . . . 72.52 112.106 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.528 HG22 ' HE1' ' A' ' 70' ' ' HIS . 15.2 t . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.544 -1.972 . . . . 74.14 112.916 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.778 0 CA-C-O 118.202 -0.833 . . . . 72.22 113.472 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.9 mtp -68.81 -43.41 75.66 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.372 1.442 . . . . 75.1 112.569 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.23 -31.56 67.71 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 121.335 -0.853 . . . . 75.35 111.992 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.62 92.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.237 1.015 . . . . 63.31 112.565 173.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.0 m -75.73 -0.15 19.86 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.29 . . . . 65.22 113.239 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.77 -48.38 8.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 119.425 -2.047 . . . . 72.41 109.869 164.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -81.18 -36.14 30.53 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.071 -1.643 . . . . 74.43 114.367 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.43 -38.25 80.18 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 127.158 2.183 . . . . 73.44 110.919 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.23 -9.52 52.7 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 113.865 -1.516 . . . . 63.11 109.215 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.24 46.82 15.14 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.965 2.106 . . . . 63.42 113.226 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.27 157.07 47.99 Favored Pre-proline 0 C--N 1.347 0.461 0 C-N-CA 124.467 1.107 . . . . 55.42 108.702 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.5 Cg_endo -75.07 167.02 27.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.423 2.082 . . . . 55.41 113.103 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.08 -24.76 67.82 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.361 2.664 . . . . 71.52 109.985 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.98 69.65 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 126.987 2.115 . . . . 41.41 113.637 175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.5 m -104.59 -24.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 118.642 -1.223 . . . . 72.13 111.735 -171.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -67.56 -30.45 70.08 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.158 -1.589 . . . . 42.14 110.892 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.528 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -73.66 -21.08 60.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.795 0.807 . . . . 62.5 112.176 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.18 -38.17 85.56 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.284 -0.885 . . . . 53.31 112.585 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.2 t80 -59.93 -44.24 94.45 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 114.304 1.224 . . . . 75.02 114.304 174.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 46.5 p90 -72.37 -33.91 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 116.349 1.981 . . . . 72.52 116.349 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.32 -19.98 65.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.922 1.689 . . . . 64.32 114.91 169.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--N 1.349 0.579 0 C-N-CA 127.135 2.174 . . . . 73.35 111.252 177.274 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.081 0.467 . . . . 42.15 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -90.1 132.4 35.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.052 0.941 . . . . 70.53 111.642 -165.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.26 -32.52 71.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.711 1.604 . . . . 72.2 113.9 -174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.4 mt-10 -62.18 -29.12 70.14 Favored 'General case' 0 CA--C 1.493 -1.238 0 N-CA-C 115.597 1.703 . . . . 62.25 115.597 170.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.08 86.58 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 118.702 0.683 . . . . 74.44 112.085 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.95 92.96 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 120.154 -1.591 . . . . 74.14 113.17 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.9 m -63.55 -41.76 98.41 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.478 1.111 . . . . 64.13 110.73 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.11 -42.32 84.93 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 121.445 -0.784 . . . . 61.45 111.831 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.3 mt -59.87 -46.2 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 O-C-N 120.701 -1.249 . . . . 64.01 112.966 -174.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.29 -29.16 68.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 113.711 1.004 . . . . 65.24 113.711 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.04 -41.68 99.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.912 1.685 . . . . 32.32 112.56 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.09 -37.28 79.48 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 121.241 1.837 . . . . 73.14 113.857 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.46 -38.29 68.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.043 1.497 . . . . 75.01 115.043 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.06 -38.59 79.15 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.042 0.925 . . . . 62.33 113.247 170.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -97.68 33.47 2.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.19 1.796 . . . . 75.33 112.743 -167.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -77.98 -31.08 50.54 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 120.163 -1.586 . . . . 61.0 111.154 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.34 -14.96 55.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.129 1.372 . . . . 62.2 113.138 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.02 -27.62 57.43 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.034 1.734 . . . . 70.2 111.716 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 68' ' ' LEU . 62.6 mt -67.81 163.29 22.13 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.0 2.52 . . . . 75.24 112.203 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.45 122.1 15.42 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.192 -0.942 . . . . 74.32 111.769 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.164 1.386 . . . . 53.43 113.733 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -55.92 -34.91 66.03 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 125.117 1.367 . . . . 64.11 113.616 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 ptp -79.41 -15.47 57.78 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 120.695 -1.253 . . . . 73.15 111.788 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 61.23 34.35 18.76 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.289 2.636 . . . . 70.43 116.428 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -80.88 122.28 27.02 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.205 -1.559 . . . . 73.12 110.925 176.776 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.45 150.42 43.8 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.22 -1.03 . . . . 72.42 108.22 165.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.38 129.52 40.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 122.375 1.083 . . . . 74.43 113.437 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 -10.99 73.15 Favored Glycine 0 C--N 1.35 1.327 0 C-N-CA 125.193 1.377 . . . . 74.23 115.469 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.39 24.41 12.18 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.191 1.496 . . . . 65.34 111.759 -169.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.79 84.0 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 114.256 1.206 . . . . 50.43 114.256 -171.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.82 -40.51 93.05 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.444 1.02 . . . . 71.12 112.38 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -73.62 -44.5 56.89 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 113.297 0.851 . . . . 72.42 113.297 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 57.4 t80 -60.38 -46.96 88.1 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 127.081 2.152 . . . . 62.5 113.076 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.95 90.67 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.946 -1.096 . . . . 71.41 113.732 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 72.8 mtm -63.6 -35.46 80.59 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 113.986 1.106 . . . . 63.24 113.986 173.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.29 -27.3 68.38 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.797 -1.189 . . . . 72.32 112.439 172.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -95.87 14.15 24.39 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.905 1.682 . . . . 61.15 114.867 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.98 -0.12 64.17 Favored Glycine 0 C--N 1.35 1.327 0 O-C-N 121.002 -1.061 . . . . 62.34 114.004 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 140.96 58.13 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.292 1.046 . . . . 74.24 111.23 163.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -81.99 171.77 14.03 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.583 -1.948 . . . . 74.12 107.957 168.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.02 -34.23 77.54 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.504 -1.372 . . . . 65.2 112.566 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.9 83.56 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.693 1.997 . . . . 72.13 112.822 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -67.78 -38.99 84.1 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.484 1.113 . . . . 72.23 112.012 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.07 83.29 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.723 0.773 . . . . 62.32 112.691 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -69.53 -29.52 67.14 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.86 -1.15 . . . . 75.4 112.136 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.13 -43.47 98.83 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 115.451 1.649 . . . . 74.43 115.451 170.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.2 mt -63.84 -41.37 97.84 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 121.584 1.993 . . . . 64.35 112.324 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.32 -40.37 97.13 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.976 -1.078 . . . . 61.22 111.892 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.38 -42.73 96.0 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.295 -1.503 . . . . 64.45 112.497 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.42 -45.28 93.7 Favored 'Isoleucine or valine' 0 C--N 1.362 1.133 0 C-N-CA 124.861 1.264 . . . . 73.23 109.95 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -59.4 -51.98 67.6 Favored 'General case' 0 CA--C 1.487 -1.476 0 O-C-N 121.714 -0.616 . . . . 71.43 111.826 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 88.6 m-70 -74.94 -26.61 59.73 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 120.854 -1.154 . . . . 51.1 111.075 -175.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -67.58 -41.47 84.07 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 114.504 1.298 . . . . 72.11 114.504 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.448 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.2 m -67.28 -41.24 85.82 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 115.289 1.589 . . . . 44.34 115.289 169.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.574 ' CG ' ' HA ' ' A' ' 95' ' ' HIS . 1.3 pp20? -69.08 -17.51 63.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.366 -1.459 . . . . 64.21 113.94 -171.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -86.82 -21.43 26.45 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.417 0.687 . . . . 72.3 112.781 173.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 97' ' ' CYS . 32.6 m -97.34 -28.09 3.77 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 O-C-N 120.785 -1.197 . . . . 55.33 111.667 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.458 HG12 ' HA ' ' A' ' 98' ' ' GLU . 1.6 pt -69.94 157.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 N-CA-C 115.147 1.536 . . . . 72.21 115.147 176.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.0 m -67.57 127.66 33.56 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.341 1.067 . . . . 62.43 112.532 164.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.8 mt -114.17 132.52 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.67 0 C-N-CA 129.782 3.233 . . . . 73.12 103.099 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 t -115.09 127.98 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 105.758 -1.941 . . . . 64.34 105.758 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.43 92.22 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 114.546 1.313 . . . . 74.23 114.546 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -65.3 -37.78 88.21 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.577 1.551 . . . . 31.54 114.623 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -125.92 96.65 37.05 Favored Pre-proline 0 C--N 1.349 0.556 0 CA-C-O 117.811 -1.09 . . . . 74.22 108.368 -163.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.56 -12.59 33.61 Favored 'Trans proline' 0 C--N 1.33 -0.443 0 CA-C-N 123.843 2.408 . . . . 71.41 112.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.6 m -74.0 -43.5 57.82 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.009 1.324 . . . . 74.32 110.458 -173.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -44.18 97.5 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.983 -1.073 . . . . 74.4 111.401 173.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.9 m -54.55 -46.98 73.74 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.61 0.764 . . . . 74.44 111.11 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.21 -47.91 63.52 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.63 -1.293 . . . . 74.33 114.227 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.38 81.57 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.489 1.515 . . . . 71.33 112.717 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.91 -41.47 97.94 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.955 0.902 . . . . 73.11 109.334 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.78 -46.22 86.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.441 -0.787 . . . . 72.24 112.934 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.35 98.66 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 124.651 1.18 . . . . 74.43 110.909 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 15.8 ptp -69.38 -30.91 69.0 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 118.999 -0.524 . . . . 75.12 111.118 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.0 t -71.11 -46.12 62.32 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 120.218 1.372 . . . . 73.2 113.24 168.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.0 t80 -54.6 -48.53 72.05 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 114.883 1.438 . . . . 70.14 114.883 174.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 123' ' ' ILE . 29.0 tptp -62.75 -30.61 71.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.352 1.061 . . . . 75.02 112.487 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.492 1.139 . . . . 74.02 112.397 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -68.23 -46.35 70.78 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.87 1.268 . . . . 55.44 114.139 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.1 pt -66.74 -22.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 119.178 -2.201 . . . . 72.25 114.082 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.22 -41.44 98.39 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 124.661 1.184 . . . . 71.44 111.898 168.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.3 -25.35 57.85 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 113.282 0.845 . . . . 75.15 113.282 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.6 mt -67.04 152.57 45.54 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.305 2.242 . . . . 72.22 115.225 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.93 1.06 53.9 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.866 1.266 . . . . 70.01 111.747 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -129.24 154.87 46.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 106.616 -1.624 . . . . 73.11 106.616 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.32 118.64 39.52 Favored Pre-proline 0 N--CA 1.445 -0.709 0 CA-C-O 118.444 -0.789 . . . . 61.01 111.444 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.71 147.57 63.5 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.466 2.11 . . . . 54.42 109.165 156.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.1 t -80.43 167.31 20.34 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 109.026 -0.731 . . . . 50.04 109.026 164.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.74 -33.36 73.91 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.799 -1.188 . . . . 75.33 111.822 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -59.27 -41.48 88.98 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.59 0.756 . . . . 74.01 112.134 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.77 -44.63 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 C-N-CA 126.678 1.991 . . . . 71.32 114.492 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.69 -47.89 79.37 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.591 0.96 . . . . 75.32 113.591 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 m -79.17 -28.63 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 120.751 -1.218 . . . . 74.31 108.232 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.13 -44.14 97.64 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.105 -0.83 . . . . 44.03 114.299 -173.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.7 mt-10 -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.107 1.453 . . . . 65.2 113.217 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -62.06 -55.29 30.54 Favored 'General case' 0 CA--C 1.478 -1.826 0 O-C-N 121.663 -0.648 . . . . 61.42 112.61 170.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 56' ' ' ALA . 72.7 mt -67.14 -40.58 86.76 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.652 -0.704 . . . . 65.0 112.725 -176.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.61 84.42 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.505 -1.372 . . . . 73.41 113.704 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.19 0.84 55.59 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 121.309 -0.869 . . . . 73.33 111.935 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.26 1.616 0 O-C-N 120.526 -1.359 . . . . 63.15 113.025 177.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 N--CA 1.454 -0.797 0 CA-C-O 118.557 -0.685 . . . . 74.53 113.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.1 tpt -71.04 -42.63 69.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.592 1.087 . . . . 71.41 111.494 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.91 -32.36 69.28 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.587 1.155 . . . . 71.11 112.018 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.71 96.42 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.152 0.981 . . . . 74.11 113.027 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.7 m -60.37 -44.64 95.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.384 -0.822 . . . . 70.34 110.377 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.41 -43.28 93.05 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.908 -1.745 . . . . 73.45 111.756 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.56 -40.46 42.33 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.849 1.426 . . . . 64.01 114.849 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.76 -39.47 88.88 Favored 'General case' 0 CA--C 1.486 -1.505 0 C-N-CA 126.705 2.002 . . . . 63.03 110.574 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.5 mt -82.87 -7.44 59.66 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.816 -1.084 . . . . 55.23 110.393 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 57.1 45.28 21.1 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.545 2.338 . . . . 73.35 113.362 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.57 158.0 46.29 Favored Pre-proline 0 C--N 1.351 0.638 0 C-N-CA 124.059 0.944 . . . . 51.02 109.497 -173.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.9 Cg_endo -74.96 166.06 30.02 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.264 1.976 . . . . 74.44 113.443 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.06 -26.43 68.55 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 128.316 2.646 . . . . 64.13 109.93 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.89 72.13 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.279 1.832 . . . . 54.15 113.837 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.5 m -99.57 -22.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 O-C-N 120.196 -1.565 . . . . 72.12 111.974 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.86 -31.91 72.06 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 120.094 -1.629 . . . . 50.04 111.089 169.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -76.21 -16.83 59.76 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.069 -1.019 . . . . 74.41 112.711 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.74 -38.0 80.52 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.316 -0.865 . . . . 74.25 112.641 169.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.28 -41.58 93.65 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.502 1.297 . . . . 62.2 114.502 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -66.48 -41.46 88.94 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 119.916 -1.74 . . . . 74.41 113.364 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -65.15 -25.5 67.77 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.985 1.714 . . . . 75.41 114.334 171.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--N 1.348 0.51 0 C-N-CA 126.789 2.035 . . . . 71.33 111.845 -177.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 121.08 0.467 . . . . 64.51 111.345 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -85.55 131.65 34.32 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 124.149 0.98 . . . . 71.4 112.324 -160.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -59.29 -32.86 70.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 126.889 2.076 . . . . 63.12 113.131 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.5 mt-10 -63.07 -31.48 72.62 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 116.185 1.92 . . . . 74.32 116.185 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.35 90.25 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.762 0.71 . . . . 65.13 111.072 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -38.38 95.52 Favored Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.33 -1.481 . . . . 62.55 113.106 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.51 -41.44 98.53 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.702 0.801 . . . . 61.43 110.86 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -68.27 -41.89 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 O-C-N 121.281 -0.887 . . . . 75.31 112.046 172.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.03 -45.84 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 O-C-N 120.818 -1.177 . . . . 33.22 111.94 -173.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.39 -27.91 66.64 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 114.399 1.259 . . . . 62.1 114.399 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.5 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.5 t -62.31 -43.16 99.48 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.637 1.575 . . . . 63.53 112.171 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.08 -36.84 80.72 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 120.894 1.679 . . . . 64.31 113.433 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.16 -38.91 68.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.487 1.515 . . . . 53.32 114.878 -175.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.32 -36.6 71.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 122.223 1.011 . . . . 73.41 112.641 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.57 32.86 2.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.883 1.673 . . . . 73.34 112.631 -167.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.0 mt -79.52 -28.63 41.33 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 119.966 -1.709 . . . . 74.3 110.87 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.88 -14.92 57.26 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.997 1.319 . . . . 71.44 112.851 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.71 -27.15 60.26 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.297 1.839 . . . . 60.4 111.645 172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 68' ' ' LEU . 55.1 mt -69.86 164.55 23.49 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 127.854 2.462 . . . . 61.42 110.941 -174.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -66.2 135.17 54.13 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.722 -1.236 . . . . 72.23 110.255 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.13 -27.77 68.63 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.18 -0.95 . . . . 70.34 112.89 173.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.79 -34.05 72.51 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.561 -1.337 . . . . 75.2 113.39 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.5 ptm -81.71 -11.28 59.11 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.955 -1.09 . . . . 61.44 112.213 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 60.8 29.83 19.27 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.172 2.589 . . . . 34.01 116.322 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.99 121.9 27.11 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.19 -1.569 . . . . 73.11 110.926 175.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -139.41 153.12 47.55 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.284 -1.006 . . . . 72.45 108.284 164.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.34 128.06 34.69 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.473 1.13 . . . . 64.11 113.039 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.33 -10.7 72.88 Favored Glycine 0 C--N 1.347 1.185 0 C-N-CA 125.301 1.429 . . . . 42.55 115.175 -174.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.68 26.67 9.69 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.045 1.423 . . . . 64.45 112.029 -167.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.24 85.75 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.572 1.323 . . . . 74.52 114.572 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mtm -61.15 -39.79 91.4 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.236 0.926 . . . . 73.24 112.735 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -72.9 -44.69 60.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 121.749 0.785 . . . . 74.12 113.064 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.91 -46.6 89.98 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 127.399 2.279 . . . . 64.44 113.321 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.71 99.35 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 120.212 -1.555 . . . . 63.3 112.92 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -37.91 89.09 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 114.81 1.411 . . . . 75.41 114.81 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.277 48.8 tptt -59.98 -34.44 73.3 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 125.892 1.677 . . . . 75.11 113.373 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -89.29 13.86 12.44 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.555 1.542 . . . . 74.13 115.043 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.2 0.54 61.49 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.997 -1.064 . . . . 63.34 114.113 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.39 49.05 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 118.295 1.047 . . . . 62.11 110.438 163.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -84.7 -177.68 6.66 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.721 -2.487 . . . . 74.2 110.875 161.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.16 -24.69 67.77 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.933 -1.03 . . . . 65.24 111.018 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.68 -43.79 30.06 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.456 1.122 . . . . 43.21 112.312 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 mtt -66.94 -39.65 87.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.727 1.611 . . . . 74.24 112.566 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.39 80.27 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.78 0.8 . . . . 70.43 113.03 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -31.08 70.83 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.138 -0.976 . . . . 63.44 111.759 174.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.35 -44.66 96.81 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 115.803 1.779 . . . . 51.34 115.803 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.1 mt -64.26 -41.15 97.08 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 121.884 2.129 . . . . 73.21 112.396 176.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.73 -39.96 95.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.927 -1.108 . . . . 73.42 111.876 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.33 -42.83 96.1 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.338 -1.476 . . . . 71.15 112.72 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.53 -45.28 94.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 C-N-CA 124.133 0.973 . . . . 73.54 110.09 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -59.39 -53.86 53.31 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 121.754 -0.591 . . . . 65.13 111.514 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -71.71 -27.63 63.15 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.127 -0.983 . . . . 72.35 110.254 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -66.14 -41.15 90.84 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 122.631 1.205 . . . . 63.42 112.667 172.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -67.76 -35.37 78.58 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.093 1.145 . . . . 73.03 114.093 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.12 -29.22 68.48 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.025 1.33 . . . . 72.14 113.051 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -87.07 -19.31 28.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 112.22 0.452 . . . . 74.35 112.22 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.5 m -100.8 -30.9 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 121.34 -0.85 . . . . 60.15 111.173 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.29 155.57 7.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-O 122.785 1.279 . . . . 72.43 114.441 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 m -69.03 126.78 30.9 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.979 -1.076 . . . . 74.11 111.98 164.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 111' ' ' THR . 71.7 mt -110.0 132.22 58.85 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.666 0 C-N-CA 129.396 3.079 . . . . 63.32 103.253 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.5 t -112.88 128.51 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 N-CA-C 105.641 -1.985 . . . . 63.43 105.641 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.67 91.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.601 1.334 . . . . 51.32 114.601 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.4 -37.48 87.09 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 125.404 1.482 . . . . 65.13 114.733 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -128.5 92.1 41.84 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-O 118.365 -0.826 . . . . 74.21 109.032 -162.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -69.25 -13.69 36.39 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 122.735 2.29 . . . . 74.34 112.545 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -69.9 -43.43 71.78 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.819 1.248 . . . . 73.24 110.622 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -44.96 96.18 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.127 0.971 . . . . 72.45 110.929 172.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 103' ' ' ILE . 80.6 m -55.92 -46.58 78.4 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 111.976 0.361 . . . . 74.11 111.976 175.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.6 tpt -66.58 -48.04 70.85 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.597 -1.315 . . . . 74.1 113.818 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -44.68 82.65 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.189 1.395 . . . . 51.12 112.806 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.45 -41.51 98.8 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.177 0.991 . . . . 70.31 109.442 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.98 -46.99 85.07 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 121.489 -0.757 . . . . 72.54 112.363 174.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.23 98.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.953 1.301 . . . . 75.54 111.146 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -71.5 -29.35 64.7 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 119.188 -0.434 . . . . 51.34 110.982 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -70.22 -46.44 64.5 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 119.921 1.237 . . . . 63.23 113.489 167.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 76.7 t80 -55.17 -47.12 75.63 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 114.877 1.436 . . . . 72.11 114.877 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 123' ' ' ILE . 76.2 tttt -61.68 -34.23 75.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.429 1.092 . . . . 75.13 111.163 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.53 99.02 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.531 1.158 . . . . 64.22 112.014 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.93 -46.66 70.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 115.144 1.535 . . . . 74.42 115.144 173.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.823 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.5 pt -66.48 -22.16 29.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 119.034 -2.291 . . . . 74.12 114.435 174.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.58 -40.63 95.46 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.966 1.306 . . . . 74.32 111.771 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -74.47 -25.3 59.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.911 0.884 . . . . 74.15 113.036 -173.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.1 mt -69.1 152.92 44.57 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.225 2.21 . . . . 73.31 115.282 -172.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.16 1.66 52.35 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.809 1.244 . . . . 62.12 111.363 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -131.18 155.29 47.29 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 106.763 -1.569 . . . . 74.22 106.763 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.91 118.93 41.96 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-O 118.576 -0.726 . . . . 70.34 111.034 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.68 152.32 69.68 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.436 2.091 . . . . 62.33 108.711 155.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 28.6 p -83.32 167.97 17.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 106.193 -1.781 . . . . 72.24 106.193 171.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -32.34 72.76 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.34 -1.475 . . . . 62.44 112.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.17 -40.03 88.52 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.621 0.768 . . . . 75.25 112.537 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.57 -44.41 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.421 1.888 . . . . 72.34 112.084 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.29 79.9 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 113.479 0.918 . . . . 73.1 113.479 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.42 -27.43 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 C-N-CA 118.677 -1.209 . . . . 75.42 108.232 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.75 -43.04 99.54 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.088 -0.84 . . . . 51.32 114.114 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.6 mt-10 -64.52 -36.75 85.2 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.297 1.548 . . . . 74.25 113.699 174.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -62.03 -55.09 32.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 121.404 -0.81 . . . . 75.31 112.508 171.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.57 HD22 ' HB2' ' A' ' 56' ' ' ALA . 67.1 mt -67.42 -38.08 84.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.605 -0.725 . . . . 74.25 112.498 -175.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.82 96.14 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.1 1.148 . . . . 72.1 114.1 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.9 -32.81 65.6 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 121.167 -0.958 . . . . 63.13 111.612 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.259 1.59 0 N-CA-C 115.101 1.519 . . . . 73.5 115.101 -178.025 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 114.794 1.036 . . . . 71.4 114.794 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -68.04 -42.59 80.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.847 1.658 . . . . 72.04 112.373 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.78 -30.45 65.57 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 120.667 -1.271 . . . . 74.43 111.978 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.76 99.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 113.323 0.86 . . . . 73.02 113.323 168.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 98.3 m -60.2 -43.57 95.83 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.958 -1.089 . . . . 35.23 110.309 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -43.57 89.92 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.726 -1.859 . . . . 74.41 112.246 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -77.56 -40.69 41.54 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 115.001 1.482 . . . . 64.55 115.001 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -60.28 -39.31 86.41 Favored 'General case' 0 CA--C 1.49 -1.352 0 C-N-CA 127.048 2.139 . . . . 73.41 110.452 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -86.02 -7.06 58.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.98 -1.009 . . . . 71.42 110.516 -177.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m120 56.52 46.21 20.98 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.002 2.121 . . . . 73.35 113.72 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.53 158.5 43.17 Favored Pre-proline 0 C--N 1.35 0.614 0 C-N-CA 124.659 1.184 . . . . 72.03 108.921 -174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.543 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -72.31 164.63 35.04 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.411 2.074 . . . . 74.43 113.527 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.11 -30.95 71.37 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 129.001 2.921 . . . . 73.32 109.249 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.25 71.44 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 127.498 2.319 . . . . 64.12 114.265 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.4 m -98.13 -24.67 4.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.163 -1.586 . . . . 65.21 112.261 -171.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -32.99 73.95 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.171 -1.581 . . . . 75.12 110.369 170.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.526 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.1 pp0? -72.95 -19.61 61.21 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-O 121.96 0.886 . . . . 71.2 112.451 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.35 -38.29 88.94 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 113.951 1.093 . . . . 71.11 113.951 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.5 t80 -60.62 -46.04 91.77 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.087 1.143 . . . . 72.22 114.087 175.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.7 p90 -72.36 -32.66 66.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 115.271 1.582 . . . . 74.34 115.271 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.95 -14.62 60.58 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.935 1.457 . . . . 71.34 114.935 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.355 0.805 0 C-N-CA 125.431 1.492 . . . . 73.12 109.688 174.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 CA--C 1.514 -0.416 0 CA-C-O 120.79 0.328 . . . . 61.33 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.34 133.83 33.98 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 121.341 -0.849 . . . . 64.31 111.821 -163.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.73 -33.47 71.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.278 1.831 . . . . 73.14 113.221 -173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.547 ' CD ' HG11 ' A' ' 29' ' ' VAL . 6.4 mt-10 -63.88 -29.04 70.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 116.541 2.052 . . . . 71.51 116.541 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.7 -42.29 83.42 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 118.947 0.794 . . . . 63.33 111.674 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.37 94.22 Favored Glycine 0 CA--C 1.494 -1.279 0 O-C-N 120.095 -1.628 . . . . 54.41 113.108 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.75 -42.18 97.89 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.814 1.246 . . . . 75.44 110.733 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.54 -42.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 121.343 -0.848 . . . . 75.11 111.654 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.5 mt -59.29 -45.59 93.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 O-C-N 120.271 -1.518 . . . . 54.5 113.094 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.94 -28.49 68.33 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 114.135 1.161 . . . . 62.32 114.135 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.27 1.428 . . . . 53.4 112.625 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.85 -36.72 79.86 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-N 121.031 1.742 . . . . 73.42 113.584 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.67 -38.3 72.02 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 115.353 1.612 . . . . 74.14 115.353 -175.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.91 -41.06 71.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 122.071 0.939 . . . . 72.41 112.913 168.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.72 45.19 1.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.559 -1.338 . . . . 64.12 113.453 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.47 -22.29 20.48 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 123.241 1.496 . . . . 73.24 109.722 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -16.75 63.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.978 1.311 . . . . 65.31 112.035 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.89 -27.94 64.18 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.753 2.021 . . . . 72.13 111.892 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD12 HD13 ' A' ' 68' ' ' LEU . 52.0 mt -75.39 160.7 29.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.334 2.254 . . . . 73.12 110.856 -172.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.66 144.05 34.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.815 -1.178 . . . . 61.41 109.915 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.07 -28.27 68.95 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.173 1.175 . . . . 64.14 114.173 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.2 -35.65 71.94 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.479 -1.388 . . . . 71.24 113.514 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.43 -17.37 56.47 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.777 -1.202 . . . . 75.14 112.747 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 65.94 24.37 11.17 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.453 2.701 . . . . 74.42 117.359 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.12 122.27 27.15 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.888 -1.758 . . . . 74.43 110.65 176.57 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -138.5 146.15 41.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.337 -1.357 . . . . 71.41 107.337 165.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' HE1' ' O ' ' A' ' 143' ' ' THR . 8.1 t60 -65.64 130.78 44.5 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.342 1.057 . . . . 70.52 111.006 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.86 -12.05 68.61 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 124.206 0.908 . . . . 53.13 114.955 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -102.15 22.36 13.35 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.694 1.247 . . . . 52.24 111.454 -171.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -42.96 80.72 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 124.78 1.232 . . . . 73.05 114.293 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.7 mtp -60.96 -37.83 83.79 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.042 -1.036 . . . . 73.14 112.638 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.2 -45.34 26.91 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.363 0.875 . . . . 63.33 113.363 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 36.7 t80 -60.53 -44.36 96.16 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.771 2.029 . . . . 54.31 113.736 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -58.05 -41.62 83.68 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.066 0.946 . . . . 75.32 112.563 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.91 -37.45 87.45 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.739 1.216 . . . . 72.44 113.895 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.74 -26.51 68.11 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.94 -1.1 . . . . 73.13 112.55 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -96.63 14.27 25.43 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 125.476 1.511 . . . . 70.13 114.757 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 0.91 64.13 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 120.959 -1.088 . . . . 32.3 114.411 166.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.23 141.94 57.1 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 118.573 1.186 . . . . 73.24 110.886 162.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -82.9 172.74 12.49 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 119.429 -2.044 . . . . 72.34 108.641 170.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.69 -31.82 73.21 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.413 -1.43 . . . . 65.45 112.857 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.27 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.443 1.497 . . . . 74.43 112.455 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.15 -40.48 96.23 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.051 2.14 . . . . 72.32 113.078 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.07 89.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.604 1.162 . . . . 74.24 112.855 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -76.59 -26.88 55.51 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.502 0.721 . . . . 74.22 112.367 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -60.13 -42.26 94.44 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.029 1.492 . . . . 75.22 115.029 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.64 -41.22 98.91 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 121.307 1.867 . . . . 74.24 112.544 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.93 -40.68 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.107 -0.996 . . . . 63.14 111.757 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.54 -42.59 95.64 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.312 1.445 . . . . 50.14 112.655 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.47 -44.65 93.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.107 0 C-N-CA 124.6 1.16 . . . . 62.34 110.115 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -57.53 -57.77 11.22 Favored 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 122.007 -0.433 . . . . 74.2 111.915 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.15 -29.71 68.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 O-C-N 121.348 -0.845 . . . . 60.41 111.116 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.7 t -66.19 -43.55 86.49 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 122.482 1.134 . . . . 61.14 111.914 172.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' HG22 ' A' ' 100' ' ' VAL . 7.8 m -66.09 -29.95 70.38 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 115.18 1.548 . . . . 62.2 115.18 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.5 -28.93 69.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.814 1.246 . . . . 63.35 111.015 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -74.56 -42.16 59.29 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 127.06 2.144 . . . . 73.52 109.514 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 97' ' ' CYS . 23.0 m -86.84 -32.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 123.134 0.574 . . . . 73.24 111.737 -168.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.7 157.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-O 122.833 1.302 . . . . 64.41 114.162 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 m -68.89 125.8 27.76 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.845 -1.159 . . . . 72.41 112.14 164.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.1 mt -107.82 132.12 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 129.169 2.988 . . . . 63.22 103.398 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.2 t -113.26 128.42 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.966 -1.864 . . . . 72.4 105.966 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.49 89.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.267 1.21 . . . . 60.45 114.267 171.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.36 -38.49 91.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 125.499 1.52 . . . . 74.12 114.292 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -128.63 98.62 24.76 Favored Pre-proline 0 N--CA 1.445 -0.686 0 CA-C-O 117.762 -1.114 . . . . 63.24 109.33 -162.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.5 -13.31 37.13 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 123.838 2.406 . . . . 74.45 112.873 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.86 -44.5 63.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.696 1.199 . . . . 52.14 111.046 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -44.83 96.62 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 120.91 -1.119 . . . . 74.14 111.817 172.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.2 m -55.06 -47.39 74.91 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.924 0.89 . . . . 63.12 110.952 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.8 tpt -69.51 -47.51 63.55 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.567 -1.333 . . . . 74.4 114.411 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.91 83.68 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.733 1.213 . . . . 74.41 112.478 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.1 -41.01 97.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 123.948 0.899 . . . . 64.24 109.432 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.95 -47.17 84.35 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 121.392 -0.817 . . . . 64.55 112.616 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.92 98.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.167 0.987 . . . . 62.12 111.014 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.18 -29.79 66.75 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 118.951 -0.547 . . . . 73.43 111.908 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.3 t -68.79 -46.49 68.57 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 120.635 1.561 . . . . 74.13 113.897 167.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.511 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.09 -48.08 74.04 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 114.689 1.366 . . . . 73.35 114.689 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.698 ' HD2' HD11 ' A' ' 123' ' ' ILE . 28.9 mmmt -64.0 -28.11 69.58 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.659 0.784 . . . . 75.32 112.232 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -64.35 -43.0 95.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-O 122.282 1.039 . . . . 34.41 112.222 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.57 -45.97 74.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.658 1.355 . . . . 63.1 114.658 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 126' ' ' LEU . 19.1 pt -66.73 -22.13 29.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 119.347 -2.096 . . . . 73.44 114.742 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.67 -40.49 95.11 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 124.668 1.187 . . . . 61.25 111.585 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -72.08 -27.07 62.43 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.273 1.029 . . . . 63.11 113.363 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -68.57 153.18 44.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.263 2.225 . . . . 71.24 115.228 -173.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.94 -0.77 55.36 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.811 1.244 . . . . 71.02 111.826 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -129.66 153.68 47.88 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 106.306 -1.738 . . . . 73.45 106.306 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.08 118.18 40.59 Favored Pre-proline 0 N--CA 1.444 -0.73 0 CA-C-O 118.481 -0.771 . . . . 52.23 111.242 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.0 154.02 63.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.387 2.058 . . . . 71.42 109.846 158.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -85.68 170.46 12.49 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 106.981 -1.488 . . . . 74.42 106.981 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.28 -32.73 72.56 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.274 -1.516 . . . . 73.41 112.483 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.19 -37.07 79.12 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.614 1.166 . . . . 72.04 112.297 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.05 -44.87 13.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.124 2.169 . . . . 70.35 111.138 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.2 81.08 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.426 -1.421 . . . . 74.15 114.207 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.38 -28.21 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 120.315 -1.491 . . . . 75.24 108.896 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.14 96.97 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 119.394 -0.67 . . . . 55.21 114.526 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -69.27 -30.53 68.65 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 119.411 1.606 . . . . 72.04 113.219 178.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 119' ' ' PHE . 42.8 mt -63.18 -59.95 4.07 Favored 'General case' 0 CA--C 1.474 -1.975 0 C-N-CA 123.612 0.765 . . . . 75.42 111.124 168.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 56' ' ' ALA . 74.0 mt -65.83 -37.17 85.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.938 0.718 . . . . 72.44 112.938 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.77 92.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.833 1.42 . . . . 75.23 114.833 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -80.06 -30.3 39.35 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.588 -1.32 . . . . 43.14 110.893 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 70' ' ' HIS . 75.3 m . . . . . 0 C--O 1.259 1.57 0 N-CA-C 115.864 1.802 . . . . 61.01 115.864 -175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo . . . . . 0 N--CA 1.456 -0.731 0 N-CA-C 114.52 0.931 . . . . 71.31 114.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.6 mtt -75.45 -43.02 51.81 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.048 1.295 . . . . 63.45 112.39 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -32.56 66.46 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 121.286 -0.883 . . . . 41.13 111.458 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.45 94.23 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.565 -0.709 . . . . 50.23 112.689 169.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.5 t -61.39 -46.3 90.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.224 -1.028 . . . . 54.2 108.224 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -59.13 -43.18 91.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.064 -1.647 . . . . 73.33 112.229 -172.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -76.65 -39.85 51.01 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.289 1.218 . . . . 64.32 114.289 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.77 -38.94 86.97 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 126.7 2.0 . . . . 63.51 110.345 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.0 mt -83.32 -7.74 59.54 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.059 -0.973 . . . . 72.55 110.068 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.99 45.44 21.18 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.722 2.409 . . . . 60.24 113.385 -174.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.65 158.07 46.26 Favored Pre-proline 0 C--N 1.349 0.586 0 C-N-CA 124.115 0.966 . . . . 73.2 109.399 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -74.71 165.84 30.65 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.328 2.019 . . . . 71.14 113.35 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 128.231 2.612 . . . . 71.21 110.092 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.15 70.36 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.441 1.896 . . . . 74.14 113.734 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.0 m -101.56 -21.99 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 O-C-N 120.28 -1.513 . . . . 75.4 112.163 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.87 -32.48 73.02 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.159 -1.588 . . . . 74.35 110.805 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -75.92 -16.16 60.07 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.968 -1.083 . . . . 73.43 112.574 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.41 -38.17 79.92 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.234 -0.916 . . . . 72.1 112.619 168.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.83 -40.6 93.39 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.605 1.335 . . . . 73.41 114.605 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -63.58 -44.41 94.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.078 -1.639 . . . . 73.02 113.139 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -65.76 -24.12 66.88 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 127.174 2.19 . . . . 72.02 114.618 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--N 1.346 0.433 0 C-N-CA 126.93 2.092 . . . . 74.15 111.817 -178.302 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 120.787 0.327 . . . . 62.43 110.707 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -91.77 130.58 37.53 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.864 0.866 . . . . 73.14 111.541 -167.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.2 -32.33 71.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.053 1.741 . . . . 74.14 113.763 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.468 ' CD ' HG11 ' A' ' 29' ' ' VAL . 13.5 mt-10 -62.34 -31.98 72.69 Favored 'General case' 0 CA--C 1.491 -1.318 0 N-CA-C 115.723 1.749 . . . . 75.33 115.723 170.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -41.22 86.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 121.798 0.809 . . . . 64.53 110.759 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.47 99.14 Favored Glycine 0 CA--C 1.49 -1.499 0 O-C-N 121.075 -1.015 . . . . 54.21 114.016 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 91.8 m -63.84 -41.49 97.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.537 1.135 . . . . 73.2 111.3 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.4 p -68.16 -39.33 81.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.986 -1.071 . . . . 73.15 112.281 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.44 -46.32 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 O-C-N 119.7 -1.875 . . . . 75.0 113.07 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.59 -29.09 68.35 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.447 1.647 . . . . 73.44 115.447 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.512 ' N ' HD12 ' A' ' 53' ' ' LEU . 41.8 t -65.56 -41.29 93.14 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 127.846 2.458 . . . . 73.31 113.788 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.7 mm? -60.65 -38.39 84.68 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 118.549 -2.595 . . . . 70.02 112.996 171.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.494 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.38 -35.49 67.77 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.544 1.538 . . . . 70.43 114.995 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -81.01 -24.21 38.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.586 -0.696 . . . . 71.31 112.479 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -103.65 34.57 2.93 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.82 2.048 . . . . 74.33 113.337 -172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 68' ' ' LEU . 88.5 mt -82.78 -17.36 44.4 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 119.649 -1.907 . . . . 73.41 110.668 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.4 -29.37 70.44 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 127.35 2.26 . . . . 73.13 110.854 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -28.32 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 128.367 2.667 . . . . 73.45 111.183 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 HD13 ' A' ' 68' ' ' LEU . 63.5 mt -73.22 160.86 31.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.906 2.082 . . . . 74.13 110.429 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.67 142.88 44.45 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 120.48 -1.387 . . . . 64.21 113.389 -174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.84 -29.23 70.44 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.793 -1.192 . . . . 62.51 113.961 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.68 -37.13 72.9 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.496 -1.378 . . . . 73.31 113.565 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -79.23 -10.82 59.91 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.704 -1.248 . . . . 63.34 112.573 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 62.5 26.56 15.8 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 127.987 2.515 . . . . 73.21 116.751 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -79.98 120.55 24.32 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 120.038 -1.664 . . . . 72.34 111.208 177.348 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -134.27 147.76 50.69 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 105.851 -1.907 . . . . 60.24 105.851 166.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.1 t60 -66.15 129.19 38.96 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.161 0.984 . . . . 74.42 110.892 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.12 -9.23 78.23 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.915 1.245 . . . . 61.34 115.617 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -109.18 27.97 8.98 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.973 1.386 . . . . 75.22 109.956 -169.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.63 83.73 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 114.595 1.332 . . . . 75.21 114.595 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.624 1.102 . . . . 74.53 112.901 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -71.25 -44.75 64.7 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.292 0.637 . . . . 74.34 112.356 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.7 -48.9 79.74 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.44 1.896 . . . . 74.15 113.0 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.89 96.02 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.931 0.892 . . . . 73.1 113.221 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.9 mtm -63.55 -37.46 87.39 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.879 1.066 . . . . 75.31 113.879 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.23 -24.49 67.89 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 120.493 -1.38 . . . . 71.33 113.249 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.89 13.67 21.91 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.574 1.55 . . . . 73.34 114.558 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.7 0.69 64.21 Favored Glycine 0 C--N 1.351 1.397 0 O-C-N 121.02 -1.05 . . . . 74.21 114.255 167.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.9 56.85 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.32 1.06 . . . . 75.21 111.18 164.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -81.42 170.41 16.0 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.611 -1.931 . . . . 73.44 108.17 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.62 -34.32 77.99 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.552 -1.342 . . . . 74.34 112.662 -173.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.46 84.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.423 1.889 . . . . 72.44 112.521 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -67.97 -39.18 83.39 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.902 1.281 . . . . 63.23 112.416 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.73 84.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 73.14 112.719 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.42 -28.99 65.48 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.843 -1.161 . . . . 74.24 112.005 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.55 -42.47 96.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.039 1.496 . . . . 74.44 115.039 171.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.472 HD12 ' OE1' ' A' ' 138' ' ' GLU . 53.6 mt -63.22 -41.83 99.18 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.438 1.926 . . . . 73.53 112.659 175.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.25 -39.59 94.27 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.193 -0.942 . . . . 65.33 111.648 172.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.687 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.8 t70 -66.54 -41.35 88.87 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.284 1.434 . . . . 73.21 114.774 176.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.06 -44.91 92.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 124.372 1.069 . . . . 45.44 109.295 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.38 -50.84 72.21 Favored 'General case' 0 CA--C 1.494 -1.188 0 C-N-CA 123.263 0.625 . . . . 71.24 110.986 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.687 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.8 p80 -75.15 -27.94 59.93 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 117.741 -1.583 . . . . 71.51 109.469 -169.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.46 -43.98 88.62 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.672 -1.604 . . . . 74.41 111.42 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.6 m -66.31 -32.91 74.6 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.046 1.338 . . . . 61.34 114.317 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.54 -25.05 67.04 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.725 1.21 . . . . 72.33 112.346 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.04 -40.24 60.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.056 1.742 . . . . 70.34 109.956 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.7 m -95.7 -29.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 C-N-CA 123.566 0.746 . . . . 34.12 111.356 -165.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.42 155.21 7.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 122.658 1.218 . . . . 74.23 113.38 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.2 m -67.55 121.86 16.76 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.83 -1.169 . . . . 63.43 111.386 164.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.9 mt -102.31 131.58 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 C-N-CA 128.955 2.902 . . . . 74.14 103.476 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.49 128.54 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 105.917 -1.883 . . . . 71.15 105.917 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.83 88.47 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 114.744 1.387 . . . . 72.44 114.744 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.02 -37.79 88.78 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.626 1.57 . . . . 71.45 114.652 176.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -129.46 89.64 46.64 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-O 118.38 -0.819 . . . . 62.52 108.876 -161.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.02 -13.23 36.15 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 C-N-CA 122.765 2.31 . . . . 73.1 112.541 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.9 -43.68 78.73 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.298 1.439 . . . . 74.04 110.329 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -45.81 93.31 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 121.282 -0.886 . . . . 72.44 112.395 169.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.0 m -57.02 -46.78 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 112.704 0.631 . . . . 41.14 112.704 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.018 2.229 . . . . 75.42 117.018 171.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -45.25 84.17 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.282 -1.511 . . . . 72.24 112.621 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.8 -41.62 99.37 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.625 0.77 . . . . 64.14 109.761 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.6 -46.06 87.48 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.097 -1.002 . . . . 51.24 112.279 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.27 99.74 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 124.808 1.243 . . . . 61.5 110.799 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.73 -28.54 62.71 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.941 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.12 -46.61 64.44 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 120.084 1.311 . . . . 72.32 113.706 166.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.36 -47.89 75.06 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 115.161 1.541 . . . . 74.04 115.161 174.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 123' ' ' ILE . 34.3 ttpt -62.44 -32.75 73.66 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 122.03 0.919 . . . . 74.05 110.745 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.52 96.49 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 122.208 1.004 . . . . 74.4 112.062 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.44 -45.99 74.42 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 124.981 1.313 . . . . 70.1 114.436 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -65.2 -24.27 34.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 119.282 -2.136 . . . . 75.22 114.37 174.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -65.21 -35.64 81.7 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.22 -0.925 . . . . 64.05 111.484 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -76.24 -24.99 54.59 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.908 -1.12 . . . . 75.41 112.43 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -68.17 153.51 43.59 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 127.434 2.293 . . . . 70.44 114.784 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.59 0.39 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.442 1.097 . . . . 73.24 111.776 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -129.46 155.45 45.7 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.337 -1.357 . . . . 75.1 107.337 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.96 119.55 40.65 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.433 -0.794 . . . . 72.52 111.068 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -69.85 151.89 68.71 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.427 2.085 . . . . 63.24 108.994 156.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.8 p -86.34 168.5 13.8 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 106.646 -1.612 . . . . 70.42 106.646 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.7 -28.93 70.29 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.26 -1.525 . . . . 74.03 113.002 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.85 -40.85 94.42 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.721 -1.237 . . . . 74.41 112.164 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.47 -44.48 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 126.227 1.811 . . . . 71.33 113.082 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.77 -47.26 81.67 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.535 1.061 . . . . 71.04 112.418 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 m -77.11 -33.2 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 121.484 -0.76 . . . . 73.14 109.318 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.26 99.84 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 119.464 -0.631 . . . . 65.13 114.096 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.472 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.0 mt-10 -63.85 -38.12 89.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.989 1.395 . . . . 70.42 113.661 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.6 mt -63.74 -51.32 65.44 Favored 'General case' 0 CA--C 1.477 -1.848 0 C-N-CA 124.682 1.193 . . . . 71.5 112.856 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 56' ' ' ALA . 27.0 mt -68.46 -40.72 80.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.154 -1.385 . . . . 63.14 111.117 -177.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.87 85.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.188 -1.57 . . . . 50.45 114.273 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.57 23.4 5.34 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.869 -1.144 . . . . 62.33 112.34 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.551 HG22 ' CE1' ' A' ' 70' ' ' HIS . 11.9 t . . . . . 0 C--O 1.265 1.881 0 O-C-N 119.383 -2.073 . . . . 51.12 113.849 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 N--CA 1.455 -0.786 0 N-CA-C 114.561 0.947 . . . . 71.42 114.561 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.89 -43.93 70.79 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.983 1.265 . . . . 54.43 112.376 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.99 -30.59 63.91 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.925 -1.109 . . . . 71.24 111.851 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.22 99.73 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.591 0.756 . . . . 53.4 112.114 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.2 t -60.58 -47.0 88.15 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.56 -0.904 . . . . 72.42 108.56 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -59.57 -42.89 93.51 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.004 -1.685 . . . . 73.31 112.988 -172.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.83 -39.58 56.45 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 114.33 1.233 . . . . 75.42 114.33 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.46 -39.02 86.07 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 125.557 1.543 . . . . 74.13 110.86 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.9 mt -83.36 -12.52 56.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.342 -0.845 . . . . 72.23 110.116 -177.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.61 48.01 12.37 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.87 2.068 . . . . 53.5 113.133 -174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.2 157.9 47.78 Favored Pre-proline 0 C--N 1.347 0.495 0 C-N-CA 124.708 1.203 . . . . 62.21 108.358 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.97 167.19 27.82 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.71 2.273 . . . . 73.51 113.576 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.31 -33.23 73.26 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 128.239 2.616 . . . . 53.0 109.246 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.26 62.85 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 127.754 2.421 . . . . 51.32 113.882 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.7 m -100.96 -24.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 O-C-N 120.548 -1.345 . . . . 64.12 112.182 -173.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.0 ptm -65.93 -33.84 76.74 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.159 -1.588 . . . . 75.1 111.573 166.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.22 -20.28 61.58 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.349 0.87 . . . . 73.25 113.349 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -62.3 -38.4 89.26 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 113.401 0.889 . . . . 71.12 113.401 171.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD2' HG12 ' A' ' 52' ' ' ILE . 21.0 t80 -61.47 -44.31 97.33 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.112 1.153 . . . . 73.1 114.112 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.1 p90 -70.89 -35.02 72.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 119.746 -1.847 . . . . 75.52 115.57 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.65 -18.01 64.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.246 1.818 . . . . 64.05 114.053 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--N 1.348 0.527 0 C-N-CA 127.349 2.26 . . . . 73.44 111.259 176.777 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.516 -0.355 0 CA-C-O 121.135 0.493 . . . . 54.2 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.83 132.96 33.99 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 124.489 1.115 . . . . 45.54 111.873 -165.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -59.62 -33.33 71.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 126.463 1.905 . . . . 73.21 113.495 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.516 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.0 mt-10 -63.34 -31.63 72.83 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 116.384 1.994 . . . . 64.42 116.384 169.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.26 84.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 121.863 0.839 . . . . 43.12 110.738 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.41 -41.02 99.48 Favored Glycine 0 CA--C 1.492 -1.403 0 O-C-N 121.044 -1.035 . . . . 75.11 113.944 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.26 -41.5 96.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.893 1.277 . . . . 72.42 111.244 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 5.5 p -69.01 -39.14 79.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 121.138 -0.976 . . . . 72.53 112.17 172.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.1 mt -60.11 -46.25 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 O-C-N 119.353 -2.092 . . . . 65.23 113.327 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -67.33 -29.13 68.61 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.098 1.518 . . . . 74.41 115.098 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.1 t -66.07 -41.62 90.49 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 127.93 2.492 . . . . 53.31 114.619 171.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.45 -38.86 85.51 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 118.625 -2.547 . . . . 73.44 112.759 172.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.514 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.91 -37.25 68.65 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 125.847 1.659 . . . . 63.15 114.484 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -81.46 -17.64 48.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.541 -0.724 . . . . 74.22 112.353 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -109.19 31.29 5.84 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.977 1.711 . . . . 72.33 112.918 -172.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 68' ' ' LEU . 92.2 mt -81.23 -24.2 37.54 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.338 -2.101 . . . . 73.11 110.485 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.39 -15.28 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.339 1.456 . . . . 73.22 112.975 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -26.62 62.57 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 126.758 2.023 . . . . 62.23 112.003 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.44 HD12 HD13 ' A' ' 68' ' ' LEU . 57.1 mt -74.44 161.33 29.92 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.682 1.993 . . . . 72.42 110.902 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.92 147.13 31.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.551 -1.343 . . . . 72.15 110.271 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.49 -29.91 70.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 114.754 1.39 . . . . 74.03 114.754 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -58.63 -34.65 71.41 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.127 -1.608 . . . . 73.11 113.68 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -79.39 -13.71 59.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.811 -1.181 . . . . 70.01 112.984 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 63.36 24.25 14.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 128.548 2.739 . . . . 74.43 116.514 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.44 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -83.67 122.45 28.63 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.004 -1.685 . . . . 55.03 110.733 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -140.35 151.04 44.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.116 -1.438 . . . . 74.33 107.116 166.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.81 129.39 39.75 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.184 0.992 . . . . 74.25 113.271 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.88 -9.81 74.88 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.264 1.411 . . . . 42.35 115.372 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -106.85 24.77 12.21 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.242 1.521 . . . . 75.35 111.752 -167.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.81 83.82 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 114.872 1.434 . . . . 71.1 114.872 -172.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.9 mtp -61.72 -41.22 97.33 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.523 1.056 . . . . 71.13 112.514 -175.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.52 -44.78 66.88 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 113.318 0.858 . . . . 72.24 113.318 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.6 -47.66 85.21 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 127.13 2.172 . . . . 61.54 112.835 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.68 93.16 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 113.621 0.971 . . . . 72.53 113.621 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.7 -35.83 81.85 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 114.04 1.126 . . . . 50.01 114.04 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.04 -28.25 68.92 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.767 -1.208 . . . . 72.21 112.788 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -94.97 14.64 21.07 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.784 1.634 . . . . 70.03 114.689 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.74 63.13 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 121.113 -0.992 . . . . 74.12 114.026 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.51 141.44 57.88 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.35 1.075 . . . . 72.32 111.567 164.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -81.4 170.37 16.06 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.503 -1.998 . . . . 73.54 108.344 168.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.76 -34.58 78.66 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.576 -1.327 . . . . 72.53 112.624 -172.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.39 84.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.337 1.855 . . . . 74.14 112.297 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.3 mtt -68.24 -39.23 82.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.972 1.309 . . . . 71.23 112.407 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.51 85.92 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.934 0.894 . . . . 73.42 112.847 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.17 -28.57 65.43 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.633 -1.292 . . . . 71.32 112.07 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -60.55 -42.42 96.53 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 115.016 1.487 . . . . 65.45 115.016 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.16 -41.82 99.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 121.433 1.924 . . . . 64.11 112.328 175.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.09 -39.76 94.75 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.979 -1.076 . . . . 73.21 111.814 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.0 t70 -66.39 -41.23 89.68 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.453 1.501 . . . . 63.02 114.898 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.0 -44.9 92.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.298 1.039 . . . . 75.01 109.266 172.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.51 -50.62 73.1 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 123.372 0.669 . . . . 71.3 111.099 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 13.1 p80 -74.87 -27.99 60.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 117.69 -1.604 . . . . 63.32 109.664 -170.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -43.84 88.97 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.741 -1.572 . . . . 64.2 111.285 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.5 m -66.15 -32.64 74.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.98 1.312 . . . . 71.41 114.483 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.52 -24.6 66.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.847 1.259 . . . . 65.41 112.397 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -75.27 -40.06 59.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.227 1.811 . . . . 73.5 109.946 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 25.4 m -96.52 -29.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 123.557 0.743 . . . . 73.43 111.309 -165.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.11 154.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-O 122.648 1.213 . . . . 73.42 113.402 173.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.1 m -67.1 122.79 18.56 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.814 -1.179 . . . . 73.54 111.502 164.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.4 mt -103.19 131.92 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 C-N-CA 128.978 2.911 . . . . 74.41 103.456 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -113.19 127.77 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.712 0 N-CA-C 106.291 -1.744 . . . . 75.1 106.291 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.82 93.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.485 1.291 . . . . 52.12 114.485 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.14 -40.18 95.6 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.885 1.674 . . . . 60.11 113.534 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -130.7 95.67 25.59 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-O 117.903 -1.046 . . . . 71.21 109.976 -159.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.21 -13.51 38.1 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-N 123.331 2.225 . . . . 75.22 112.776 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.61 -44.63 77.58 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.782 1.233 . . . . 71.25 110.837 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.57 93.0 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.358 1.063 . . . . 71.31 111.701 171.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -57.1 -46.8 82.29 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.503 0.592 . . . . 64.43 112.595 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -46.83 76.58 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.958 2.207 . . . . 75.44 116.958 171.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.15 86.0 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.405 -1.434 . . . . 74.12 112.467 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.21 -41.51 99.15 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.644 0.778 . . . . 71.14 109.836 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.53 -45.96 88.17 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 121.255 -0.903 . . . . 71.11 112.357 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.1 99.71 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.842 1.257 . . . . 63.1 110.776 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -72.25 -29.03 63.53 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.891 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.29 -46.57 64.04 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 120.568 -1.332 . . . . 71.25 113.776 167.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.6 t80 -55.22 -48.26 74.16 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.245 1.572 . . . . 71.32 115.245 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HA ' HG12 ' A' ' 123' ' ' ILE . 64.8 tttm -62.5 -32.2 73.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.02 0.914 . . . . 62.03 111.151 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 122.328 1.061 . . . . 73.03 111.943 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -68.69 -46.16 69.74 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.582 1.553 . . . . 71.33 114.051 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.0 pt -64.68 -24.26 35.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 119.107 -2.246 . . . . 60.44 114.276 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.92 -32.63 74.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.293 1.037 . . . . 55.22 111.648 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -75.56 -26.94 58.38 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.946 -1.096 . . . . 74.32 112.601 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.6 mt -69.7 153.21 43.71 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.115 2.166 . . . . 73.5 115.406 -169.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.26 -0.48 54.83 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.93 1.292 . . . . 74.41 111.718 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -129.32 155.01 46.31 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.901 -1.518 . . . . 74.3 106.901 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.71 118.02 41.59 Favored Pre-proline 0 N--CA 1.443 -0.818 0 CA-C-O 118.536 -0.745 . . . . 54.2 111.307 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.4 147.72 65.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.267 1.978 . . . . 63.33 108.977 155.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.0 t -79.84 166.44 21.69 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 108.836 -0.802 . . . . 62.51 108.836 164.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.58 -33.56 74.1 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 120.807 -1.183 . . . . 63.51 111.456 -175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.39 -43.11 92.98 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.498 0.719 . . . . 65.34 112.261 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 p -82.53 -44.69 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 126.999 2.12 . . . . 73.24 114.914 173.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.33 82.77 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.299 -0.876 . . . . 54.01 113.264 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.28 -29.22 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 N-CA-C 108.097 -1.075 . . . . 74.44 108.097 174.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.19 99.56 Favored Glycine 0 C--N 1.353 1.519 0 CA-C-O 119.033 -0.87 . . . . 64.14 113.979 -174.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.455 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.42 -36.9 85.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.426 1.613 . . . . 75.14 113.395 173.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 119' ' ' PHE . 57.9 mt -62.63 -51.67 66.38 Favored 'General case' 0 CA--C 1.482 -1.661 0 N-CA-C 113.206 0.817 . . . . 75.12 113.206 171.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 56' ' ' ALA . 33.7 mt -69.43 -39.91 77.56 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.933 -1.03 . . . . 74.11 111.902 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.44 92.66 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 119.839 -1.788 . . . . 44.44 113.657 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -96.71 34.62 1.64 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.343 -0.848 . . . . 74.04 111.51 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.262 1.72 0 O-C-N 119.89 -1.756 . . . . 73.42 114.375 177.076 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 N--CA 1.456 -0.722 0 CA-C-O 119.045 -0.481 . . . . 74.31 112.913 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.0 ttp -77.71 -40.02 42.66 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 119.407 1.003 . . . . 73.04 112.016 -169.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.56 -32.82 73.01 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.217 -0.927 . . . . 75.41 111.768 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.07 94.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.485 1.114 . . . . 44.53 111.851 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.35 -0.61 8.49 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 115.186 1.55 . . . . 74.5 115.186 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -91.28 -48.19 7.06 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 119.627 -1.921 . . . . 74.32 110.237 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.45 -36.82 44.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 119.872 -1.768 . . . . 70.42 114.549 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.6 -37.8 79.55 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 127.731 2.412 . . . . 72.04 110.44 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.38 -10.13 52.92 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.164 -1.38 . . . . 61.02 109.288 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.52 46.68 14.56 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.919 2.088 . . . . 73.45 113.121 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.68 157.89 46.78 Favored Pre-proline 0 C--N 1.348 0.504 0 C-N-CA 124.369 1.068 . . . . 74.2 109.36 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.2 Cg_endo -74.41 166.34 29.69 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.552 2.168 . . . . 75.13 113.504 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.06 -28.99 70.46 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.328 2.651 . . . . 74.54 109.805 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.35 68.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 127.35 2.26 . . . . 72.23 113.487 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 47' ' ' GLU . 10.2 m -99.79 -22.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 120.223 -1.548 . . . . 74.42 112.058 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.1 ptm -66.95 -32.24 73.36 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.115 -1.616 . . . . 74.1 112.138 166.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -76.51 -15.24 59.93 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.734 -1.228 . . . . 71.04 113.229 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.66 -37.75 79.57 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.063 -1.023 . . . . 71.14 112.809 167.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -60.26 -39.91 88.46 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.175 1.39 . . . . 74.03 114.509 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.86 -44.5 95.96 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 120.143 -1.598 . . . . 75.32 113.617 171.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -65.84 -25.39 67.18 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 127.015 2.126 . . . . 74.21 114.159 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.3 t80 . . . . . 0 C--N 1.347 0.485 0 C-N-CA 127.096 2.158 . . . . 73.01 112.236 -179.467 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 120.855 0.359 . . . . 71.35 111.966 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -85.01 130.38 34.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.295 -0.878 . . . . 73.44 111.589 -167.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -59.27 -32.77 70.31 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.957 2.103 . . . . 74.42 113.262 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.3 mt-10 -63.49 -30.87 71.93 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 116.278 1.955 . . . . 74.44 116.278 170.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.37 88.88 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 118.886 0.767 . . . . 34.44 111.47 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.34 95.05 Favored Glycine 0 CA--C 1.486 -1.742 0 O-C-N 120.164 -1.585 . . . . 71.25 112.917 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.3 -40.41 97.29 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.16 0.984 . . . . 64.34 111.114 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.27 -42.89 84.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 121.233 -0.917 . . . . 75.24 112.021 170.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.45 -45.62 96.53 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 O-C-N 120.891 -1.13 . . . . 72.43 111.859 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.14 -28.25 67.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 114.774 1.398 . . . . 62.24 114.774 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 47.2 t -62.54 -42.34 99.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.555 1.542 . . . . 74.3 111.943 175.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -38.35 84.92 Favored 'General case' 0 C--N 1.367 1.353 0 CA-C-N 120.884 1.675 . . . . 73.5 113.538 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.38 -36.94 71.88 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 126.338 1.855 . . . . 74.11 115.182 -173.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.23 -40.38 77.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.268 0.84 . . . . 73.41 113.268 168.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -98.21 38.8 1.28 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.82 1.648 . . . . 43.13 112.508 -167.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 68' ' ' LEU . 96.8 mt -79.52 -29.35 41.45 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-O 123.422 1.582 . . . . 74.25 111.289 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.85 -16.88 64.23 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.24 1.416 . . . . 73.24 111.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.19 -25.71 52.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.89 2.076 . . . . 71.12 110.831 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.6 mt -67.16 162.58 22.13 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 128.212 2.605 . . . . 72.12 110.965 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -66.77 120.96 14.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.868 -1.145 . . . . 64.22 111.207 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.83 -25.28 66.51 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.168 1.387 . . . . 53.11 113.801 -169.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.51 -33.92 64.18 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.62 1.968 . . . . 73.1 113.245 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptm -80.21 -10.05 59.74 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.899 1.227 . . . . 74.01 111.851 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 64.29 26.96 13.78 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.214 3.006 . . . . 75.23 115.773 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.21 122.41 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.823 -1.798 . . . . 73.21 112.596 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -140.84 153.46 45.77 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.201 -1.407 . . . . 61.42 107.201 164.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.44 129.15 39.37 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.275 1.036 . . . . 72.23 112.724 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.85 -10.58 74.21 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 124.317 0.96 . . . . 73.4 114.333 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.08 23.8 11.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.709 1.203 . . . . 63.11 110.567 -174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.73 79.99 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.564 1.32 . . . . 61.21 114.564 -173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.48 -40.44 94.55 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 119.718 1.144 . . . . 60.14 112.497 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -71.06 -44.75 65.12 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.462 0.912 . . . . 72.21 113.462 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.96 -47.68 84.79 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.767 2.027 . . . . 74.24 113.324 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.54 93.89 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 120.993 -1.067 . . . . 73.4 113.138 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.2 mtp -63.41 -36.23 83.04 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.717 1.207 . . . . 74.33 113.434 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.52 -27.61 68.72 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.778 -1.201 . . . . 65.45 112.252 172.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -94.19 13.15 24.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.903 1.681 . . . . 63.11 114.355 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.68 63.94 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 121.09 -1.006 . . . . 74.43 114.414 167.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.56 58.04 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 118.51 1.155 . . . . 75.0 111.535 164.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -81.07 169.1 17.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.565 -1.959 . . . . 73.33 108.039 168.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.94 -34.63 78.88 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.643 -1.286 . . . . 71.4 112.625 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.32 86.93 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.369 1.868 . . . . 53.03 112.432 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.1 mtt -68.12 -39.42 82.76 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.921 1.289 . . . . 64.45 112.561 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.45 86.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.796 0.838 . . . . 62.1 113.078 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -69.08 -29.51 67.64 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.695 -1.253 . . . . 75.23 112.034 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.49 -42.26 95.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.782 1.401 . . . . 73.4 114.782 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.453 HD12 ' OE1' ' A' ' 138' ' ' GLU . 39.4 mt -63.18 -41.66 99.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 121.384 1.902 . . . . 74.23 112.927 176.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.45 -39.55 94.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.852 0.861 . . . . 44.31 111.467 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.7 t70 -66.88 -41.14 87.73 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 114.815 1.413 . . . . 75.02 114.815 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.95 -44.84 91.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 124.434 1.093 . . . . 61.15 109.385 171.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.1 -50.86 72.02 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 123.368 0.667 . . . . 70.21 111.169 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.5 p80 -75.7 -27.68 58.32 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.788 -1.565 . . . . 73.03 109.226 -169.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -43.98 89.59 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.835 -1.53 . . . . 74.34 111.24 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.483 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.9 m -66.59 -32.34 73.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.64 1.348 . . . . 72.43 114.64 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.55 -26.07 67.71 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.809 1.244 . . . . 71.42 112.209 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -75.69 -42.11 51.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.801 1.64 . . . . 74.34 109.675 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 97' ' ' CYS . 22.1 m -87.66 -33.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 C-N-CA 123.438 0.695 . . . . 73.5 111.998 -169.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.89 155.48 7.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 122.67 1.224 . . . . 75.14 113.912 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.4 m -66.95 122.31 17.44 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.846 -1.159 . . . . 72.43 111.525 164.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.19 132.27 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 C-N-CA 128.771 2.828 . . . . 71.11 103.836 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 t -113.52 128.39 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 106.148 -1.797 . . . . 63.44 106.148 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.32 89.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.132 1.16 . . . . 75.2 114.132 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.57 -37.9 89.16 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.751 1.62 . . . . 63.21 114.466 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 96.6 23.26 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.757 -1.116 . . . . 64.14 109.306 -162.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.42 -13.57 37.87 Favored 'Trans proline' 0 C--N 1.326 -0.646 0 CA-C-N 123.797 2.392 . . . . 65.15 112.913 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.33 -44.86 74.43 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.821 1.249 . . . . 40.03 110.995 -176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.54 93.14 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.391 1.077 . . . . 54.4 111.687 172.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 m -56.88 -46.2 82.02 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.067 0.394 . . . . 62.41 111.494 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.9 tpp -65.22 -49.52 69.37 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.691 -1.256 . . . . 71.53 114.039 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -45.51 78.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.853 1.261 . . . . 71.53 112.484 -176.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.73 -41.58 99.24 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.727 0.811 . . . . 71.32 109.62 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.33 -46.04 88.45 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 121.267 -0.896 . . . . 72.01 112.451 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.41 99.56 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.047 1.339 . . . . 63.45 110.49 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.4 ptm -73.88 -28.9 61.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.189 -0.459 . . . . 53.53 110.772 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.22 -46.49 67.25 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.674 -1.266 . . . . 63.43 113.511 166.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.0 t80 -54.8 -47.93 73.39 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 115.225 1.565 . . . . 70.42 115.225 173.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.82 -30.84 71.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 123.572 0.749 . . . . 74.45 112.045 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.453 1.12 . . . . 65.44 111.93 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.73 -46.79 71.18 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.456 1.502 . . . . 65.45 114.666 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.26 -20.64 26.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 118.645 -2.535 . . . . 72.42 115.524 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -63.05 -38.82 92.72 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.155 -0.966 . . . . 72.34 111.394 168.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -76.74 -26.05 54.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.431 -0.793 . . . . 75.2 113.134 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.4 mt -67.1 153.25 44.13 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.983 2.113 . . . . 72.42 114.883 -176.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.02 -0.3 53.95 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.478 1.111 . . . . 55.24 111.792 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -128.95 154.43 46.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.971 -1.492 . . . . 60.21 106.971 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.52 119.57 39.58 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.392 -0.813 . . . . 73.4 110.823 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 135' ' ' ALA . 72.2 Cg_endo -69.67 151.03 69.49 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.451 2.101 . . . . 75.22 109.26 158.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -87.35 169.13 12.53 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 106.902 -1.518 . . . . 71.13 106.902 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.0 -26.96 69.1 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.262 -1.524 . . . . 63.54 113.168 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.4 -40.48 94.54 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.56 -1.338 . . . . 43.43 112.212 174.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.38 -43.96 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 126.231 1.812 . . . . 63.45 113.15 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.68 -47.63 80.44 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 119.466 1.03 . . . . 74.24 112.571 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -33.72 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 109.037 -0.727 . . . . 51.44 109.037 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.89 99.68 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 121.765 -0.584 . . . . 51.45 113.838 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.6 mt-10 -64.43 -37.79 88.76 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.742 1.271 . . . . 53.41 113.74 174.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.1 mt -63.5 -51.57 64.99 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 124.549 1.14 . . . . 74.41 112.657 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.1 mt -68.35 -42.29 79.46 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.01 -1.45 . . . . 71.31 111.263 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.3 77.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 120.52 -1.363 . . . . 75.13 114.243 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -91.32 21.16 4.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.743 -1.223 . . . . 63.3 112.193 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.266 1.949 0 O-C-N 119.389 -2.069 . . . . 63.15 113.914 178.241 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 CA-C-O 117.298 -1.209 . . . . 72.54 114.428 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mtp -66.28 -42.81 87.88 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 121.939 2.154 . . . . 73.33 114.775 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.74 -32.47 71.02 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.78 -1.2 . . . . 74.52 111.509 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.87 91.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 123.913 0.885 . . . . 55.33 112.39 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -74.12 -0.93 18.14 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.897 1.279 . . . . 74.52 113.779 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -48.47 7.97 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 119.582 -1.949 . . . . 65.12 110.32 164.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.68 -37.49 35.72 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.94 -1.725 . . . . 52.11 114.471 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.63 -38.03 80.25 Favored 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 128.172 2.589 . . . . 52.15 110.211 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.1 -6.96 56.67 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.213 -1.358 . . . . 73.14 109.435 -174.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.63 46.23 20.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.071 2.548 . . . . 62.21 113.898 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.53 160.27 36.92 Favored Pre-proline 0 C--N 1.35 0.621 0 C-N-CA 124.349 1.06 . . . . 74.54 110.284 -173.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HG2' HG13 ' A' ' 29' ' ' VAL . 70.1 Cg_endo -72.35 165.21 33.33 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.684 2.256 . . . . 74.34 113.918 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.41 -30.58 71.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.684 2.794 . . . . 60.13 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.2 70.09 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 127.549 2.34 . . . . 72.34 113.03 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.59 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.4 m -85.39 -34.9 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.685 -1.259 . . . . 63.45 112.802 -177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptm -66.09 -31.93 73.1 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.709 -1.87 . . . . 73.52 112.124 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -72.03 -20.32 61.71 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 121.909 0.862 . . . . 74.02 113.154 178.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.78 -38.81 92.07 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.439 -0.788 . . . . 74.33 113.043 172.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -61.34 -43.79 98.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.493 1.294 . . . . 72.41 114.493 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.1 p90 -71.61 -36.12 70.7 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 115.435 1.643 . . . . 73.13 115.435 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.43 -24.18 67.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.427 1.491 . . . . 70.21 113.791 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.348 0.526 0 C-N-CA 127.703 2.401 . . . . 74.24 111.637 178.547 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 120.95 0.405 . . . . 45.3 110.777 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -83.75 127.75 34.03 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 124.351 1.06 . . . . 72.42 109.653 -169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -58.6 -34.0 70.63 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 126.32 1.848 . . . . 71.41 113.761 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.6 -22.33 64.45 Favored 'General case' 0 CA--C 1.475 -1.922 0 N-CA-C 117.341 2.349 . . . . 75.31 117.341 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.5 66.26 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.386 0.994 . . . . 73.14 109.385 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.28 97.82 Favored Glycine 0 CA--C 1.491 -1.409 0 CA-C-O 117.903 -1.498 . . . . 53.32 113.822 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.3 m -67.12 -37.83 84.54 Favored 'General case' 0 C--N 1.369 1.434 0 CA-C-N 120.198 1.999 . . . . 74.22 111.404 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.33 -41.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.145 -0.972 . . . . 64.43 112.156 171.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.1 mt -60.06 -45.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 120.325 -1.484 . . . . 75.11 112.902 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.2 pp -67.38 -28.18 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.104 1.52 . . . . 75.11 115.104 176.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.446 ' N ' HD12 ' A' ' 53' ' ' LEU . 48.0 t -64.93 -41.24 95.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.939 1.696 . . . . 52.24 113.09 171.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.85 -39.9 86.76 Favored 'General case' 0 C--N 1.366 1.326 0 CA-C-N 122.524 2.42 . . . . 73.43 112.732 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.89 -36.27 69.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 125.475 1.51 . . . . 71.31 114.545 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -81.96 -12.82 58.17 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.537 0.94 . . . . 72.11 113.537 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.15 46.34 1.91 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.002 1.721 . . . . 63.5 112.911 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.0 mt -88.3 -17.65 30.22 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 125.624 1.57 . . . . 72.43 111.289 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -60.24 -37.86 81.69 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 128.938 2.895 . . . . 75.52 110.405 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.93 -28.91 70.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.97 2.908 . . . . 54.23 111.221 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.34 161.59 30.14 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.716 2.006 . . . . 71.21 109.387 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.88 135.41 41.52 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.963 -1.711 . . . . 74.21 108.686 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.19 -26.0 66.01 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.269 1.028 . . . . 71.42 113.632 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.49 -33.25 69.58 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.303 1.441 . . . . 73.44 113.702 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -79.51 -10.54 59.82 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 119.988 1.267 . . . . 63.21 111.902 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m120 64.01 28.21 14.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 129.357 3.063 . . . . 62.1 115.346 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 120.75 24.59 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.8 . . . . 65.13 111.383 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -136.7 153.11 50.97 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.74 -1.948 . . . . 72.13 105.74 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.73 131.05 47.62 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.4 1.095 . . . . 75.04 112.594 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.71 -12.36 67.42 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 124.642 1.115 . . . . 44.32 113.964 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.75 20.56 12.81 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.585 1.554 . . . . 62.25 110.748 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.79 78.94 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 125.286 1.434 . . . . 51.35 114.157 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.8 mtt -61.02 -41.08 95.86 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.444 1.02 . . . . 63.0 112.276 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.71 -44.6 63.88 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 113.449 0.907 . . . . 64.32 113.449 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.36 -47.44 86.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.192 2.197 . . . . 70.22 113.155 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.86 93.22 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 121.038 -1.039 . . . . 74.12 112.892 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 68.7 mtm -63.15 -36.09 82.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 113.967 1.099 . . . . 64.33 113.967 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.01 -28.14 68.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 120.836 -1.165 . . . . 71.23 112.291 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.25 13.39 25.69 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.85 1.66 . . . . 72.21 114.525 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.77 0.85 63.94 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 121.069 -1.019 . . . . 44.15 114.264 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.86 142.14 57.42 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.403 1.101 . . . . 73.13 111.313 163.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.01 170.17 16.58 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.456 -2.027 . . . . 62.25 108.308 169.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.51 -34.95 79.41 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.606 -1.309 . . . . 73.31 112.652 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.47 81.44 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.329 1.852 . . . . 70.41 112.316 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -70.32 -36.52 74.32 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.273 1.029 . . . . 54.33 112.103 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.45 85.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.997 0.919 . . . . 74.34 113.095 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.5 -27.3 64.09 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.43 -1.419 . . . . 72.03 112.365 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.37 -42.01 94.95 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 114.61 1.337 . . . . 70.32 114.61 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 138' ' ' GLU . 48.5 mt -63.36 -41.59 98.84 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 121.3 1.864 . . . . 74.31 112.693 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.4 -40.35 95.62 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.322 -0.861 . . . . 74.34 111.736 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.664 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 34.5 t70 -65.88 -41.49 91.49 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.574 1.55 . . . . 64.32 115.024 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.67 -44.81 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 124.43 1.092 . . . . 55.23 109.277 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 3.9 tttt -58.17 -54.22 49.39 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 123.134 0.573 . . . . 54.24 110.295 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.664 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 8.3 p80 -69.79 -31.69 69.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 120.927 -1.108 . . . . 73.04 109.589 -171.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -65.01 -43.62 91.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 114.207 -1.361 . . . . 75.14 111.167 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.9 m -66.11 -32.49 73.98 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.349 1.611 . . . . 65.31 115.349 173.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 35.6 mt-10 -60.7 -29.02 69.07 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.068 1.347 . . . . 70.14 111.013 -176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.93 -41.29 68.0 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.842 2.457 . . . . 73.21 110.357 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.5 m -94.97 -28.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.237 0.615 . . . . 53.15 111.187 -164.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.9 156.24 6.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-O 122.656 1.217 . . . . 42.14 113.894 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.0 m -67.51 123.28 19.99 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.934 -1.104 . . . . 73.44 111.675 163.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.3 131.75 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 128.85 2.86 . . . . 73.34 103.564 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.39 128.65 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 105.855 -1.906 . . . . 73.44 105.855 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.72 89.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 114.754 1.39 . . . . 63.21 114.754 170.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -65.0 -37.94 89.32 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.661 1.584 . . . . 64.15 114.735 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -128.9 92.99 38.27 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-O 118.272 -0.87 . . . . 74.51 108.844 -161.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.34 -13.96 36.6 Favored 'Trans proline' 0 C--N 1.331 -0.342 0 C-N-CA 122.71 2.273 . . . . 71.31 112.317 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 72.3 m -70.52 -43.37 69.77 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.225 1.41 . . . . 55.43 110.724 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.79 92.41 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.084 -1.01 . . . . 64.01 112.08 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.0 m -56.81 -45.63 82.15 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.534 0.607 . . . . 72.34 111.648 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.29 -50.41 65.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.308 1.225 . . . . 62.52 114.308 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.963 1.305 . . . . 63.33 112.729 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.34 -41.72 98.81 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.585 0.754 . . . . 75.11 109.689 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.39 -46.05 88.22 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 121.116 -0.99 . . . . 75.41 112.337 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.66 99.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 125.04 1.336 . . . . 64.51 110.761 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -72.38 -28.88 63.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 119.099 -0.476 . . . . 73.25 111.133 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.48 -46.22 64.18 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-N 120.124 1.329 . . . . 50.53 113.409 167.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.4 t80 -54.61 -48.0 72.73 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.719 1.378 . . . . 73.02 114.719 173.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.88 -32.3 73.53 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 124.006 0.922 . . . . 62.43 111.303 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.29 99.16 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 122.536 1.16 . . . . 61.21 112.008 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -68.38 -45.79 71.77 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.874 1.27 . . . . 74.22 114.358 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.03 -20.08 26.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 O-C-N 118.732 -2.48 . . . . 60.15 115.644 172.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.31 -40.25 95.7 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.278 1.031 . . . . 72.45 111.657 167.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 113.453 0.908 . . . . 62.41 113.453 -175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.7 mt -68.07 151.57 46.84 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.179 2.192 . . . . 71.35 115.826 -172.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.97 -0.45 48.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 113.642 -1.617 . . . . 75.32 112.587 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -133.39 155.67 49.05 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.226 -1.768 . . . . 74.42 106.226 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.66 39.97 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 118.443 -0.789 . . . . 71.34 110.956 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 150.73 68.59 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.331 2.02 . . . . 62.35 109.191 157.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -87.21 168.93 12.78 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 106.866 -1.531 . . . . 72.04 106.866 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.94 -26.99 69.08 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.271 -1.518 . . . . 62.04 113.1 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.9 -40.03 91.52 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.773 -1.204 . . . . 73.44 111.899 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.3 -43.91 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 C-N-CA 126.454 1.902 . . . . 72.31 113.34 -173.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.27 82.83 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.704 1.138 . . . . 72.23 112.62 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 m -77.33 -33.76 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 O-C-N 121.534 -0.729 . . . . 64.04 109.096 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.86 -41.17 99.61 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 121.652 -0.655 . . . . 71.3 113.859 -172.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.478 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.8 mt-10 -64.06 -38.03 89.6 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.741 1.271 . . . . 71.34 113.992 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.7 mt -63.56 -51.96 63.12 Favored 'General case' 0 CA--C 1.478 -1.798 0 C-N-CA 124.778 1.231 . . . . 74.53 112.57 174.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 56' ' ' ALA . 25.5 mt -68.34 -40.83 81.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 113.981 -1.463 . . . . 73.41 111.318 -176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.09 81.45 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.383 -1.448 . . . . 53.34 114.161 174.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -90.48 18.85 5.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.94 -1.1 . . . . 71.34 112.191 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.405 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 13.7 t . . . . . 0 C--O 1.266 1.952 0 O-C-N 119.587 -1.946 . . . . 75.52 114.108 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 N--CA 1.456 -0.701 0 CA-C-O 117.405 -1.165 . . . . 75.44 114.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.69 -45.17 83.84 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 121.252 1.842 . . . . 74.25 114.154 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.06 -32.18 64.87 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 121.148 -0.97 . . . . 75.03 111.291 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.62 87.87 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.63 -0.7 . . . . 60.42 112.715 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 23' ' ' LEU . 10.4 t -60.94 -46.43 90.73 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.619 1.1 . . . . 72.02 108.275 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.98 -42.27 93.83 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.228 -1.545 . . . . 74.02 112.54 -171.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.05 -37.85 53.84 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.793 -1.192 . . . . 33.33 113.999 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.91 -39.33 81.2 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 127.164 2.186 . . . . 75.32 110.385 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.6 mt -86.32 -10.97 53.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.346 -0.843 . . . . 61.02 109.961 -175.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.2 47.09 14.86 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.547 1.939 . . . . 54.21 112.769 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.91 160.39 38.97 Favored Pre-proline 0 CA--C 1.511 -0.534 0 C-N-CA 125.061 1.344 . . . . 74.1 108.204 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.2 Cg_endo -74.1 173.77 13.55 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.086 1.858 . . . . 71.41 113.871 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.62 -40.06 82.24 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 129.646 3.179 . . . . 61.32 112.653 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.43 64.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 128.499 2.719 . . . . 35.33 113.641 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.1 m -101.49 -26.13 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 120.833 -1.167 . . . . 73.42 112.084 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -66.26 -31.6 72.51 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.121 -1.612 . . . . 73.02 111.926 167.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.534 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.7 -19.58 61.38 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 113.646 0.98 . . . . 75.54 113.646 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.09 -39.0 90.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.456 -0.777 . . . . 63.01 113.071 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.9 t80 -60.71 -43.89 97.24 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.06 1.133 . . . . 72.22 114.06 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 45.5 p90 -72.29 -35.6 68.73 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.677 1.732 . . . . 74.4 115.677 176.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.03 -24.64 67.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.737 1.615 . . . . 71.4 113.52 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--N 1.349 0.551 0 C-N-CA 128.493 2.717 . . . . 71.22 111.654 178.589 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 CA--C 1.513 -0.468 0 CA-C-O 121.152 0.501 . . . . 74.51 110.088 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -90.94 131.96 36.24 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.031 0.932 . . . . 74.13 111.696 -161.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -59.44 -33.23 71.01 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.636 1.974 . . . . 75.35 113.705 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.0 mt-10 -63.5 -29.81 71.03 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 116.508 2.04 . . . . 71.41 116.508 169.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.63 85.51 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.009 0.822 . . . . 73.43 111.392 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.28 94.94 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.325 -1.484 . . . . 54.15 113.462 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -63.63 -41.24 98.29 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.389 1.076 . . . . 73.41 110.92 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' HD23 ' A' ' 55' ' ' LEU . 6.7 p -69.94 -40.46 78.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 121.275 -0.89 . . . . 71.42 111.425 172.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.6 mt -59.9 -45.93 94.51 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 O-C-N 119.374 -2.079 . . . . 61.34 113.007 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 4.4 pp -67.39 -28.91 68.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 114.587 1.328 . . . . 74.43 114.587 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.41 -41.39 89.34 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 126.507 1.923 . . . . 74.43 114.171 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.6 mm? -61.0 -37.7 83.44 Favored 'General case' 0 C--N 1.367 1.333 0 O-C-N 118.917 -2.365 . . . . 75.31 112.192 173.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.26 -35.04 64.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.154 1.781 . . . . 53.45 115.368 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -82.74 -19.08 38.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.584 -0.698 . . . . 75.23 112.583 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -111.14 37.44 2.84 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.075 1.75 . . . . 71.44 112.783 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 68' ' ' LEU . 90.9 mt -84.42 -18.71 35.14 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 119.897 -1.752 . . . . 71.44 111.118 -177.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.18 -34.48 75.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.115 2.566 . . . . 70.53 109.651 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -28.06 69.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 128.55 2.74 . . . . 74.12 111.791 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD13 ' A' ' 68' ' ' LEU . 68.9 mt -69.43 159.28 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 126.814 2.046 . . . . 73.01 112.098 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.07 131.13 43.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.806 -1.184 . . . . 65.51 111.793 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.29 -26.36 67.73 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.265 1.209 . . . . 65.45 114.265 -174.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.32 -34.62 66.72 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.172 1.389 . . . . 53.43 113.493 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.5 ptm -81.22 -12.43 59.15 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.73 -1.231 . . . . 52.41 112.254 177.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.28 32.0 20.62 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.041 2.536 . . . . 71.24 116.187 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.8 122.33 27.55 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.246 -1.534 . . . . 74.12 110.821 176.262 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -141.16 149.41 41.45 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.974 -1.491 . . . . 70.32 106.974 165.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.541 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.7 t60 -65.49 130.87 44.84 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.597 1.159 . . . . 73.44 111.313 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.49 -11.71 70.58 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 124.12 0.867 . . . . 71.11 115.051 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.71 26.87 8.58 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.685 1.243 . . . . 74.04 110.55 -172.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.98 83.71 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 114.42 1.267 . . . . 73.21 114.42 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.8 mtp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 119.644 1.111 . . . . 75.31 112.326 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.44 -44.99 70.17 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.281 0.845 . . . . 74.55 113.281 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.57 -47.83 84.47 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.672 1.989 . . . . 72.23 113.102 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 121.131 -0.981 . . . . 75.21 113.087 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.2 mtm -63.7 -36.33 83.5 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 114.037 1.125 . . . . 72.24 114.037 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.18 -27.65 68.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.673 -1.267 . . . . 43.21 112.504 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -94.18 13.61 22.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.659 1.583 . . . . 65.2 114.573 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.9 0.45 63.95 Favored Glycine 0 C--N 1.351 1.4 0 O-C-N 120.976 -1.078 . . . . 34.11 114.365 167.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.93 143.02 57.07 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 118.439 1.12 . . . . 73.14 111.365 163.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -81.85 170.55 15.53 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.621 -1.925 . . . . 71.22 108.164 167.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.62 -34.87 79.28 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.609 -1.307 . . . . 72.12 112.574 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.8 87.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.437 1.895 . . . . 62.54 112.542 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -67.96 -39.54 83.36 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.524 1.13 . . . . 64.04 112.282 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.4 86.61 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.694 0.798 . . . . 54.15 112.902 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -69.61 -29.04 66.46 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.825 -1.172 . . . . 71.02 111.742 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.78 -43.03 98.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.038 1.496 . . . . 71.33 115.038 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.0 mt -63.43 -41.87 98.68 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 121.442 1.928 . . . . 62.53 112.343 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.89 -39.46 94.24 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.951 -1.093 . . . . 74.12 111.611 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.662 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.7 t70 -67.0 -41.23 87.07 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 115.085 1.513 . . . . 73.04 115.085 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.78 -44.8 91.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.454 1.101 . . . . 70.15 109.144 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -58.29 -50.64 72.9 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 123.396 0.678 . . . . 75.34 111.164 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.7 p80 -75.38 -27.98 59.33 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 117.715 -1.594 . . . . 73.41 109.38 -169.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.9 t -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.754 -1.566 . . . . 73.04 111.298 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.47 -32.61 74.09 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.505 1.298 . . . . 33.34 114.505 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.61 -24.71 66.87 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.727 1.211 . . . . 75.42 112.414 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -75.23 -40.17 59.27 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.212 1.805 . . . . 62.15 110.019 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.1 m -96.24 -29.04 3.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.441 0.696 . . . . 75.02 111.378 -164.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.86 155.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 122.586 1.184 . . . . 72.51 113.583 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.9 m -66.75 123.52 20.34 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.827 -1.17 . . . . 73.13 111.682 164.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.41 132.14 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 0 C-N-CA 128.536 2.734 . . . . 64.45 103.729 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 t -112.64 128.15 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 106.265 -1.754 . . . . 75.23 106.265 177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.6 91.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.37 1.248 . . . . 64.11 114.37 171.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.75 -39.89 95.38 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.052 1.741 . . . . 43.44 113.567 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -130.13 98.6 20.91 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 117.619 -1.181 . . . . 72.22 109.212 -160.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.51 -13.9 38.5 Favored 'Trans proline' 0 C--N 1.326 -0.606 0 CA-C-N 123.908 2.432 . . . . 72.24 112.777 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.5 m -70.21 -44.81 67.87 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.999 1.319 . . . . 53.04 110.924 -174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.31 95.06 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.963 -1.086 . . . . 70.13 111.925 171.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.5 m -56.62 -46.55 80.87 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.267 0.485 . . . . 73.22 111.687 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.79 -48.42 71.83 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.61 -1.307 . . . . 64.32 113.805 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.18 79.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.223 1.409 . . . . 74.12 112.293 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -62.62 -41.38 98.98 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.481 0.712 . . . . 63.03 109.843 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.05 -46.18 88.7 Favored 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 121.278 -0.889 . . . . 61.51 112.544 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.85 99.66 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.576 1.15 . . . . 73.13 110.926 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -73.05 -28.94 62.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.294 -0.412 . . . . 73.11 110.832 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -69.79 -46.77 65.02 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 120.602 -1.311 . . . . 51.24 113.556 167.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.9 t80 -55.11 -47.63 74.72 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.073 1.509 . . . . 73.23 115.073 174.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.425 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.0 ttpp -62.78 -32.0 73.08 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-O 122.214 1.006 . . . . 73.15 111.075 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.03 99.84 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 122.688 1.232 . . . . 45.23 112.516 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.64 -46.83 71.32 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.164 1.786 . . . . 62.5 113.596 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.7 pt -67.29 -23.35 30.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 O-C-N 119.117 -2.24 . . . . 65.4 114.305 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.5 -42.33 98.64 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 124.717 1.207 . . . . 64.02 111.563 169.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -77.82 -23.01 49.16 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.286 0.847 . . . . 74.23 113.286 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.3 mt -66.64 153.97 41.75 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 127.544 2.338 . . . . 74.21 115.32 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.29 -0.12 48.23 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.121 1.368 . . . . 74.52 111.874 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 16.3 p-90 -132.64 155.64 48.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 106.81 -1.552 . . . . 74.23 106.81 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.82 119.09 39.95 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-O 118.455 -0.783 . . . . 73.34 111.202 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.1 152.76 67.68 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.52 2.146 . . . . 74.24 109.028 157.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -84.82 168.73 14.84 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 106.507 -1.664 . . . . 61.22 106.507 172.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -32.76 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.299 -1.5 . . . . 64.45 112.542 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.18 -39.93 88.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.582 0.753 . . . . 74.3 112.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -45.27 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 126.619 1.967 . . . . 52.33 112.152 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.55 82.99 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.329 0.862 . . . . 42.4 113.329 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.2 -30.01 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 C-N-CA 118.751 -1.18 . . . . 75.21 108.103 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.75 99.81 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 120.62 -0.8 . . . . 74.31 114.161 -172.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.462 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.2 mt-10 -64.53 -37.03 86.14 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.989 1.395 . . . . 75.42 113.629 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.7 mt -63.83 -51.88 62.7 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.519 1.127 . . . . 62.41 112.688 173.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 56' ' ' ALA . 24.7 mt -68.27 -41.51 80.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.316 -1.311 . . . . 64.11 111.437 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.33 87.81 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 119.883 -1.761 . . . . 54.1 114.339 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.53 28.13 3.93 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.805 -1.184 . . . . 73.44 112.014 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.4 t . . . . . 0 C--O 1.264 1.841 0 O-C-N 119.508 -1.995 . . . . 65.32 113.792 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 CA-C-O 117.576 -1.093 . . . . 74.11 114.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -67.25 -42.83 83.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.465 1.939 . . . . 64.21 113.342 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.55 -31.79 67.39 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 61.24 112.191 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.39 93.56 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.075 -1.016 . . . . 65.42 112.682 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.48 -0.66 18.23 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.91 1.284 . . . . 50.33 113.709 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.9 -49.04 7.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.638 -1.914 . . . . 71.51 110.123 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.41 -37.85 36.2 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.256 -1.527 . . . . 71.11 114.321 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.7 -37.95 80.27 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 128.237 2.615 . . . . 73.33 110.265 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.68 -7.8 53.81 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.09 -1.414 . . . . 72.54 109.233 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 56.5 45.38 22.55 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 127.623 2.369 . . . . 73.43 113.547 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.92 158.77 41.48 Favored Pre-proline 0 C--N 1.349 0.576 0 C-N-CA 124.215 1.006 . . . . 52.1 109.004 -174.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.1 Cg_endo -73.68 167.13 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.73 2.287 . . . . 71.12 113.836 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.98 -35.58 75.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.693 2.797 . . . . 60.4 109.126 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.22 -30.52 66.56 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 127.652 2.381 . . . . 74.11 114.38 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.1 m -99.58 -26.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 O-C-N 120.481 -1.387 . . . . 63.2 111.686 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -65.1 -29.53 70.4 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 118.474 -2.641 . . . . 61.34 112.173 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.55 -16.82 59.52 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 121.267 -0.896 . . . . 71.05 112.719 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -67.54 -29.15 68.47 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.0 -1.063 . . . . 65.22 111.427 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.36 -42.39 98.63 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.136 1.775 . . . . 75.42 114.612 166.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.07 -43.2 93.0 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.231 -1.543 . . . . 64.01 113.166 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -66.13 -25.02 66.78 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.297 1.839 . . . . 61.14 114.419 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--N 1.349 0.546 0 C-N-CA 126.776 2.031 . . . . 74.24 112.345 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.949 0.404 . . . . 74.45 111.622 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -83.79 134.61 34.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.167 0.987 . . . . 74.13 112.439 -162.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.02 -31.99 70.47 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 125.618 1.567 . . . . 70.33 113.756 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.4 mt-10 -61.9 -30.47 70.91 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 114.559 1.318 . . . . 63.52 114.559 171.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 118.107 0.412 . . . . 75.05 111.326 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.72 97.15 Favored Glycine 0 CA--C 1.487 -1.668 0 O-C-N 120.533 -1.354 . . . . 73.23 112.783 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.5 m -63.77 -40.42 96.65 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.88 0.872 . . . . 74.24 111.256 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.14 -42.88 85.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.128 -0.983 . . . . 62.53 111.712 171.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.71 -45.69 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 120.633 -1.292 . . . . 53.05 112.27 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.65 -28.11 67.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 114.661 1.356 . . . . 54.41 114.661 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.5 t -62.58 -42.88 99.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.84 1.656 . . . . 74.11 112.187 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -38.67 85.87 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 121.301 1.864 . . . . 73.12 113.739 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.37 -36.23 68.59 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 126.311 1.844 . . . . 73.54 115.076 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.89 -16.0 52.07 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.849 1.055 . . . . 72.02 113.849 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -116.14 45.49 1.75 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.414 -1.429 . . . . 61.14 112.167 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.66 -13.13 32.32 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 124.078 1.894 . . . . 75.42 110.263 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.27 -34.05 76.83 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 129.287 3.035 . . . . 71.21 110.473 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.18 -29.83 68.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 128.595 2.758 . . . . 73.43 110.89 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 161.05 31.21 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.413 2.285 . . . . 64.22 110.636 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.06 138.09 45.69 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 120.378 -1.451 . . . . 71.13 112.778 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.47 -28.21 69.66 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.801 -1.187 . . . . 65.45 113.442 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -57.24 -37.44 72.29 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.095 1.758 . . . . 72.42 113.513 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.4 ptm -76.69 -14.77 59.93 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.857 -1.152 . . . . 70.21 112.317 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 m120 69.1 24.24 6.2 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 130.426 3.49 . . . . 75.21 117.002 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -79.01 123.78 27.63 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 119.562 -1.961 . . . . 74.24 112.238 179.562 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -141.01 158.61 43.69 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.344 -0.848 . . . . 75.43 109.258 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -67.11 132.33 47.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.802 0.841 . . . . 75.3 109.491 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.8 -13.49 42.57 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 121.1 -1.0 . . . . 74.51 114.273 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -90.47 15.35 10.89 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.795 1.638 . . . . 71.51 111.065 -171.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.8 76.15 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 127.43 2.292 . . . . 72.13 113.473 -169.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.3 mtt -59.9 -41.67 92.13 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.615 -1.303 . . . . 74.24 112.579 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.67 -42.45 24.73 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 123.863 1.792 . . . . 72.41 115.179 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 26.9 t80 -59.04 -44.83 91.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 111.841 -2.436 . . . . 73.11 113.014 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -59.18 -40.32 85.28 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.751 -1.218 . . . . 53.44 113.138 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.9 mtm -62.93 -36.65 84.13 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.708 1.203 . . . . 73.02 113.432 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -60.87 -27.57 68.22 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.875 -1.141 . . . . 74.41 112.361 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 42.8 m170 -93.81 11.85 27.85 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.081 1.352 . . . . 74.12 114.236 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.44 2.59 63.53 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 120.727 -1.233 . . . . 14.22 114.638 169.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.92 144.5 56.2 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.646 1.223 . . . . 52.11 111.204 162.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.86 172.05 13.25 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.768 -1.833 . . . . 74.03 108.581 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -64.91 -31.81 73.22 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.452 -1.405 . . . . 75.31 112.95 -171.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.24 71.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.388 1.475 . . . . 40.21 112.408 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.05 -40.36 96.12 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.949 2.1 . . . . 70.01 113.102 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.59 88.86 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.828 1.251 . . . . 63.23 112.984 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -77.52 -27.82 51.87 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.683 0.793 . . . . 72.24 112.235 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -60.03 -42.26 94.01 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 114.764 1.394 . . . . 75.35 114.764 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 135' ' ' ALA . 59.4 mt -62.57 -41.64 99.06 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 120.929 1.695 . . . . 65.33 112.491 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.69 -39.52 93.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 120.99 -1.069 . . . . 72.45 111.684 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.658 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 33.4 t70 -66.24 -40.98 90.62 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.325 1.45 . . . . 55.3 114.858 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.94 -44.26 90.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 124.401 1.08 . . . . 72.41 109.843 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.14 -50.41 73.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 123.484 0.714 . . . . 71.13 111.13 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.658 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.2 p80 -73.53 -28.96 62.16 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 123.087 1.422 . . . . 75.43 109.585 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 t -65.53 -41.32 93.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.325 -1.761 . . . . 52.32 112.295 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.6 m -68.6 -35.65 77.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.543 1.312 . . . . 74.45 114.543 173.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.34 -29.42 68.88 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.79 1.236 . . . . 71.34 113.049 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -85.94 -19.48 30.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 122.773 0.429 . . . . 70.42 112.023 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -101.09 -31.2 3.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 O-C-N 121.402 -0.811 . . . . 71.31 111.314 -175.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.36 156.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.857 1.429 . . . . 63.53 114.857 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.5 m -68.35 126.68 30.37 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.956 -1.09 . . . . 54.31 112.315 164.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.426 HG12 HG23 ' A' ' 111' ' ' THR . 68.8 mt -112.11 132.76 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 129.131 2.972 . . . . 72.35 103.709 177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -114.19 128.34 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 105.81 -1.922 . . . . 61.43 105.81 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.43 90.02 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.44 1.274 . . . . 74.23 114.44 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.46 -38.39 90.87 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.462 1.505 . . . . 63.32 114.203 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -127.58 95.88 34.29 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-O 117.772 -1.109 . . . . 73.03 108.658 -162.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 -13.84 38.51 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 CA-C-N 123.772 2.383 . . . . 61.14 112.831 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.92 -44.18 70.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.004 1.322 . . . . 75.44 110.843 -175.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -44.79 96.19 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 121.023 -1.048 . . . . 73.04 111.325 173.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 103' ' ' ILE . 66.9 m -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.711 0.263 . . . . 74.24 111.711 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.7 tpt -65.92 -48.38 71.6 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.718 -1.239 . . . . 63.32 113.58 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -45.18 82.15 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.134 1.374 . . . . 64.34 112.333 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.67 -41.61 99.18 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.884 0.874 . . . . 75.14 109.801 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.31 -46.48 86.51 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.288 -0.882 . . . . 61.55 112.323 175.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.18 98.0 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.726 1.21 . . . . 74.11 111.112 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.2 ptm -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.1 -0.476 . . . . 74.24 111.051 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 47.9 t -69.31 -46.62 66.67 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 120.028 1.285 . . . . 72.0 113.468 167.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.3 t80 -55.19 -48.37 73.91 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 115.129 1.529 . . . . 72.24 115.129 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -63.85 -29.14 70.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-O 121.732 0.777 . . . . 63.15 111.916 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -62.27 -44.36 96.71 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 122.544 1.164 . . . . 65.03 112.044 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.29 -46.32 73.94 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.645 1.578 . . . . 71.33 114.172 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.2 pt -67.26 -21.03 27.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 O-C-N 118.718 -2.489 . . . . 71.32 115.472 172.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -63.94 -39.78 94.93 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.174 -0.954 . . . . 74.21 111.601 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -77.45 -25.07 50.24 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.12 0.785 . . . . 70.01 113.12 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.8 mt -65.98 151.54 46.58 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.362 2.265 . . . . 75.32 115.282 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.69 0.08 45.0 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.744 -1.571 . . . . 71.41 112.789 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -132.63 154.87 49.65 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 105.791 -1.929 . . . . 74.13 105.791 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.13 38.18 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.448 -0.787 . . . . 75.31 111.147 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.55 153.57 65.2 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.358 2.039 . . . . 70.34 110.048 158.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.5 p -84.4 169.64 14.38 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 106.927 -1.508 . . . . 72.14 106.927 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -35.63 77.57 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.349 -1.47 . . . . 75.11 111.809 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -62.57 -26.06 68.39 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.367 1.067 . . . . 73.03 113.475 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.81 -46.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 126.58 1.952 . . . . 71.23 110.958 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.402 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.48 -46.54 85.68 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.249 -1.532 . . . . 54.44 114.039 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.17 -29.28 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 O-C-N 120.722 -1.236 . . . . 64.4 108.24 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.02 -44.19 96.42 Favored Glycine 0 C--N 1.359 1.842 0 CA-C-O 119.779 -0.456 . . . . 74.53 113.237 -174.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.93 -37.78 84.96 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 118.691 1.245 . . . . 71.42 113.447 177.43 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -63.53 -51.34 65.9 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.628 1.171 . . . . 72.13 112.827 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 56' ' ' ALA . 68.2 mt -68.38 -38.43 81.35 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.457 -1.247 . . . . 75.03 111.754 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.451 -1.406 . . . . 71.44 114.521 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -96.67 33.36 1.86 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.2 -0.937 . . . . 72.54 111.74 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.261 1.676 0 O-C-N 119.93 -1.731 . . . . 61.23 114.472 178.704 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.456 -0.713 0 N-CA-C 114.472 0.912 . . . . 73.4 114.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.6 -42.61 51.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.602 1.092 . . . . 71.35 111.225 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.9 -32.05 65.08 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.319 -0.863 . . . . 72.05 111.722 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.75 96.4 Favored 'General case' 0 CA--C 1.503 -0.843 0 O-C-N 121.478 -0.764 . . . . 72.31 112.618 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.8 t -61.06 -46.03 92.32 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 108.282 -1.007 . . . . 52.11 108.282 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.15 -43.3 92.07 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.02 -1.675 . . . . 65.23 112.566 -172.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.63 -38.66 54.33 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 114.356 1.243 . . . . 61.13 114.356 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.63 -39.23 83.62 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 126.085 1.754 . . . . 75.12 110.653 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.6 mt -84.52 -11.97 55.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.215 -0.902 . . . . 64.05 110.111 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.6 47.4 13.29 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.852 2.061 . . . . 70.04 112.998 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.26 157.56 50.83 Favored Pre-proline 0 C--N 1.348 0.502 0 C-N-CA 124.698 1.199 . . . . 72.4 108.427 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.7 Cg_endo -74.91 165.65 30.93 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.206 1.937 . . . . 50.32 113.138 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.22 -25.68 68.18 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 127.584 2.354 . . . . 71.4 110.257 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.86 69.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.378 1.871 . . . . 73.12 114.179 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG13 ' HG2' ' A' ' 26' ' ' PRO . 6.0 m -101.34 -24.92 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 120.763 -1.211 . . . . 74.41 111.233 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.85 -29.88 69.91 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 118.569 -2.582 . . . . 74.42 111.112 171.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -77.13 -16.64 59.09 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 121.319 -0.863 . . . . 71.13 112.163 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -67.55 -28.74 68.05 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.864 -1.148 . . . . 74.03 111.444 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.811 2.045 . . . . 75.4 114.367 166.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.54 -42.91 98.38 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.234 -1.541 . . . . 72.45 112.785 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -65.52 -29.47 70.11 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 126.549 1.939 . . . . 71.14 114.144 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.346 0.441 0 C-N-CA 127.593 2.357 . . . . 72.44 112.667 -179.576 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 CA--C 1.514 -0.405 0 CA-C-O 121.132 0.491 . . . . 62.04 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -88.09 132.5 34.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.152 0.981 . . . . 74.24 111.682 -164.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 126.259 1.824 . . . . 74.52 113.57 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.3 mt-10 -62.44 -31.77 72.53 Favored 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 115.637 1.717 . . . . 71.1 115.637 170.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.63 91.43 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 121.373 0.606 . . . . 44.13 110.911 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -39.93 97.6 Favored Glycine 0 CA--C 1.487 -1.684 0 O-C-N 120.773 -1.204 . . . . 64.34 112.678 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.67 -41.33 98.18 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.706 0.802 . . . . 74.04 111.19 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 p -68.88 -41.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 121.081 -1.012 . . . . 72.24 111.933 172.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.92 -46.02 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 O-C-N 119.858 -1.776 . . . . 61.12 112.294 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.57 -29.09 68.37 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.441 1.645 . . . . 74.14 115.441 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.522 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.2 t -62.98 -41.99 99.71 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 127.661 2.384 . . . . 73.3 112.904 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.19 -35.62 75.78 Favored 'General case' 0 C--N 1.366 1.322 0 CA-C-N 120.05 1.295 . . . . 70.22 113.852 174.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.5 -38.33 71.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.988 1.477 . . . . 63.53 114.988 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.95 -40.78 75.23 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 122.454 1.121 . . . . 71.44 112.521 169.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -89.24 42.68 1.1 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.155 1.782 . . . . 74.41 113.807 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.54 -16.55 27.0 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 123.736 1.731 . . . . 73.04 109.767 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -62.13 -34.6 76.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 128.105 2.562 . . . . 73.31 110.115 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.58 -28.86 68.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.53 2.732 . . . . 64.25 111.901 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 68' ' ' LEU . 77.7 mt -69.88 157.6 37.11 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.599 1.959 . . . . 63.24 112.472 -173.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.4 131.2 43.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 121.031 -1.043 . . . . 71.4 111.552 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -60.81 -25.98 66.97 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.23 1.412 . . . . 74.5 113.974 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.5 -34.95 65.06 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 125.309 1.444 . . . . 64.52 113.43 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -76.09 -21.9 56.2 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.746 -1.221 . . . . 72.54 112.401 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 63.3 37.55 10.93 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.594 3.157 . . . . 72.32 117.921 -173.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -86.79 125.18 33.77 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.098 -1.626 . . . . 72.43 110.704 173.697 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.13 165.45 26.05 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 118.106 -1.437 . . . . 62.13 107.422 159.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.13 131.63 46.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.979 -1.701 . . . . 71.31 113.632 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.3 -12.0 70.73 Favored Glycine 0 C--N 1.348 1.22 0 C-N-CA 125.403 1.478 . . . . 74.24 116.718 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 19.53 20.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 120.841 2.321 . . . . 74.41 112.916 -160.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.87 66.96 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 127.486 2.314 . . . . 53.53 113.803 -168.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mtt -60.33 -38.76 84.76 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.994 1.27 . . . . 75.22 112.93 -175.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.71 -44.71 32.32 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.234 0.827 . . . . 73.43 113.234 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 34.0 t80 -60.43 -44.09 96.13 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.662 2.385 . . . . 74.11 114.291 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.82 -41.22 81.78 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 124.352 1.061 . . . . 35.41 113.1 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.4 -35.78 81.54 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 114.234 1.198 . . . . 71.42 114.234 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.94 -28.45 68.97 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.842 -1.161 . . . . 70.44 112.208 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.577 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 37.7 m170 -94.84 12.66 27.3 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 125.636 1.574 . . . . 72.53 114.171 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.61 0.64 64.47 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 120.948 -1.095 . . . . 63.11 114.337 168.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 143.39 55.85 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.513 1.157 . . . . 74.3 110.812 162.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -83.03 173.44 11.76 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.549 -1.969 . . . . 71.4 108.301 169.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.34 -32.23 73.75 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.248 -1.533 . . . . 71.42 112.864 -172.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.13 75.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.783 1.633 . . . . 63.43 112.194 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.23 -40.73 96.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.994 1.718 . . . . 73.44 112.974 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.36 89.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.292 1.037 . . . . 74.12 112.699 176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.11 -28.7 61.48 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.629 0.772 . . . . 71.34 111.819 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.8 -42.94 98.62 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 115.139 1.533 . . . . 44.33 115.139 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 135' ' ' ALA . 61.5 mt -63.13 -41.41 99.31 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 121.33 1.877 . . . . 74.53 112.275 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.09 -40.1 95.49 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.915 -1.116 . . . . 64.2 111.923 172.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.02 -42.6 94.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.294 1.438 . . . . 74.11 112.78 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.5 -45.03 94.2 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 124.525 1.13 . . . . 74.41 109.974 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.38 -55.39 35.35 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 121.865 -0.522 . . . . 72.21 111.638 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -70.93 -25.34 62.71 Favored 'General case' 0 N--CA 1.439 -1.023 0 O-C-N 120.677 -1.264 . . . . 64.22 112.054 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.76 -42.21 91.16 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 122.846 1.307 . . . . 73.0 112.666 170.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -68.05 -34.7 76.94 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.702 -1.249 . . . . 61.54 114.105 174.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.37 -29.07 68.69 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.092 1.357 . . . . 75.11 113.003 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -19.29 29.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.198 0.444 . . . . 75.12 112.198 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.54 -30.29 3.24 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 121.4 -0.813 . . . . 41.14 111.29 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.09 155.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 N-CA-C 114.876 1.436 . . . . 70.14 114.876 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -66.76 127.02 30.85 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 121.049 -1.032 . . . . 61.43 112.428 164.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -112.13 133.03 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.61 0 C-N-CA 129.445 3.098 . . . . 73.22 103.222 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -112.34 129.54 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.478 -2.045 . . . . 63.2 105.478 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.27 98.95 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 113.46 0.911 . . . . 74.41 113.46 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -77.22 -24.02 51.33 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.058 1.873 . . . . 71.35 116.058 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -133.91 97.78 15.08 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-O 117.869 -1.063 . . . . 62.32 109.385 -168.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -68.77 -13.59 37.29 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 CA-C-N 123.741 2.372 . . . . 63.44 112.704 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.2 m -70.4 -45.21 66.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 124.82 1.248 . . . . 64.42 111.188 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.405 1.082 . . . . 74.01 111.938 172.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.8 m -55.03 -47.51 74.63 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 123.823 0.849 . . . . 73.24 111.178 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -46.45 62.46 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.36 -1.463 . . . . 73.41 113.862 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.81 92.2 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.021 -1.675 . . . . 74.21 112.607 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.3 -41.61 98.65 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.725 0.81 . . . . 64.52 109.849 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.75 -47.03 85.3 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 121.345 -0.847 . . . . 71.12 112.422 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.05 98.42 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.342 1.457 . . . . 51.22 110.432 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.92 -31.28 68.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 119.384 -0.341 . . . . 62.55 110.59 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.8 t -70.11 -46.44 64.8 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 120.797 -1.189 . . . . 61.13 113.556 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 74.7 t80 -55.65 -47.77 76.1 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 114.751 1.389 . . . . 70.23 114.751 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.6 tptt -61.56 -33.17 73.4 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.804 1.241 . . . . 71.34 112.142 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.98 99.73 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.495 1.141 . . . . 64.22 112.501 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -67.28 -47.13 71.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.032 1.333 . . . . 72.24 114.239 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.4 pt -67.61 -22.41 28.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 O-C-N 118.989 -2.32 . . . . 70.21 114.359 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -42.88 99.67 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.918 1.287 . . . . 70.14 111.627 168.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -78.22 -23.46 47.43 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.483 0.92 . . . . 71.52 113.483 -171.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.0 mt -65.95 153.19 42.75 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.326 2.25 . . . . 64.42 115.138 -177.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.13 -0.06 50.5 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.026 1.33 . . . . 61.22 112.066 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.2 154.29 48.57 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 106.198 -1.779 . . . . 65.24 106.198 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.31 117.49 38.62 Favored Pre-proline 0 N--CA 1.445 -0.698 0 CA-C-O 118.525 -0.75 . . . . 70.52 111.213 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.61 148.03 65.13 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.26 1.973 . . . . 62.41 109.804 158.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.28 167.84 19.1 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.754 0.788 . . . . 63.51 109.112 164.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.57 -34.24 75.25 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.56 -1.337 . . . . 54.21 111.382 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -62.14 -26.49 68.35 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 123.887 0.875 . . . . 74.34 113.129 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -45.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 126.65 1.98 . . . . 55.01 111.588 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.418 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.25 -47.32 82.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.49 -1.381 . . . . 63.11 114.078 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.1 -28.47 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 120.655 -1.278 . . . . 71.34 108.343 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.0 96.42 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 119.413 -0.659 . . . . 75.23 113.257 -176.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.412 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -68.23 -35.19 77.56 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.161 1.481 . . . . 75.3 113.039 177.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.6 mt -61.76 -55.97 24.48 Favored 'General case' 0 CA--C 1.478 -1.806 0 O-C-N 121.462 -0.774 . . . . 74.5 112.686 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 56' ' ' ALA . 76.2 mt -66.98 -37.13 83.69 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.578 -0.737 . . . . 72.54 112.737 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.04 94.81 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.848 -1.158 . . . . 64.34 114.012 173.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 121.422 -0.799 . . . . 72.22 111.294 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--O 1.259 1.597 0 N-CA-C 115.467 1.655 . . . . 74.05 115.467 -176.853 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.518 2.947 0 N-CA-C 115.5 1.667 . . . . 51.23 115.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.71 -36.78 81.26 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.547 -1.345 . . . . 64.25 113.179 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -83.16 0.21 46.34 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.908 -1.12 . . . . 70.1 113.411 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.37 -46.07 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 114.603 -1.181 . . . . 74.0 110.156 166.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 68.1 mtt -68.67 -41.09 79.74 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.749 1.388 . . . . 74.21 114.749 -148.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -81.83 153.96 26.15 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 122.125 0.965 . . . . 75.22 111.582 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.96 -41.63 97.52 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.292 1.437 . . . . 60.53 112.923 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.5 ttp -99.83 129.52 45.94 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.703 -1.221 . . . . 74.34 107.703 170.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -142.43 155.0 45.06 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 105.378 -2.082 . . . . 63.22 105.378 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.5 mm -116.53 117.67 56.25 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 109.053 -0.721 . . . . 52.1 109.053 -167.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.83 -40.15 94.71 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.88 1.272 . . . . 64.51 113.411 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -82.51 2.63 31.97 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.147 1.166 . . . . 74.13 114.147 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.73 61.51 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 115.979 1.844 . . . . 53.22 115.979 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -60.19 -46.6 97.83 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-O 116.506 -1.711 . . . . 54.5 114.145 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.51 -25.28 35.26 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 124.967 2.81 . . . . 52.23 113.992 168.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.2 ttm -79.98 -41.52 25.76 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 118.83 0.741 . . . . 73.42 111.222 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -69.79 -33.13 71.95 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.163 0.985 . . . . 73.44 111.211 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.38 96.97 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.55 1.14 . . . . 73.31 112.151 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.5 t -60.15 -46.36 89.95 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 108.591 -0.892 . . . . 51.02 108.591 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.6 -42.79 93.39 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.03 -1.669 . . . . 73.5 112.517 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.92 -38.0 54.29 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.369 1.248 . . . . 75.24 114.369 175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.91 -39.16 80.67 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.67 1.988 . . . . 64.23 110.887 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.8 mt -85.21 -11.48 54.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.403 -0.817 . . . . 62.11 109.894 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.52 47.05 14.02 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.848 2.059 . . . . 72.23 112.907 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.38 157.0 50.41 Favored Pre-proline 0 C--N 1.347 0.493 0 C-N-CA 124.337 1.055 . . . . 53.35 109.171 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -75.33 166.66 28.36 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.455 2.104 . . . . 72.25 113.574 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -64.33 -24.51 67.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 128.296 2.638 . . . . 75.41 110.19 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.47 70.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 126.256 1.822 . . . . 43.25 113.613 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.3 m -102.1 -21.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 O-C-N 120.325 -1.485 . . . . 74.14 112.201 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -69.08 -32.29 71.63 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.307 -1.496 . . . . 72.22 110.75 167.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -75.72 -17.94 59.76 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.611 -1.305 . . . . 74.23 112.612 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.11 -39.8 87.43 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.006 -1.059 . . . . 73.1 112.727 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -59.74 -40.46 88.16 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 126.502 1.921 . . . . 73.51 115.285 167.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -62.59 -43.9 97.65 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 120.183 -1.573 . . . . 53.35 113.542 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.98 -29.49 70.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.652 1.981 . . . . 72.01 114.545 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -57.3 -39.06 74.99 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 128.017 2.527 . . . . 75.52 112.727 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -67.3 -22.25 65.64 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.15 0.796 . . . . 72.4 113.15 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.04 127.55 31.77 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 121.653 0.739 . . . . 53.43 110.664 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -71.39 129.75 39.6 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.953 -1.717 . . . . 72.12 114.549 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.7 66.92 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 124.261 0.934 . . . . 73.41 113.631 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -71.34 135.43 47.33 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 118.78 1.29 . . . . 64.44 111.697 -169.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -86.71 78.28 9.15 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.636 -1.29 . . . . 75.43 113.244 -163.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -97.3 115.26 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.726 -1.213 . . . . 54.22 107.726 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p -120.82 0.61 10.36 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.733 1.213 . . . . 71.32 111.026 -173.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -85.59 131.49 34.35 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.882 0.873 . . . . 74.22 111.806 -163.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.84 -32.58 70.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.06 1.744 . . . . 74.0 113.354 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.7 mt-10 -62.64 -31.35 72.19 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.874 1.805 . . . . 75.14 115.874 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.61 89.05 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.738 0.699 . . . . 72.54 111.11 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.05 96.28 Favored Glycine 0 CA--C 1.487 -1.69 0 O-C-N 120.5 -1.375 . . . . 64.43 112.839 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.49 -41.56 98.54 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.112 0.965 . . . . 73.4 111.021 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.6 p -68.3 -40.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.225 -0.922 . . . . 72.3 112.178 171.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.78 -45.79 97.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 O-C-N 119.787 -1.821 . . . . 73.31 112.526 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.22 -29.1 67.86 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.999 1.481 . . . . 70.11 114.999 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.3 t -63.0 -42.47 99.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.583 2.353 . . . . 52.0 113.326 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.39 -37.56 81.2 Favored 'General case' 0 C--N 1.368 1.372 0 CA-C-N 120.366 1.439 . . . . 63.4 113.762 175.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.3 -37.29 69.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.332 1.605 . . . . 73.31 115.332 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -40.02 73.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 122.211 1.005 . . . . 64.32 112.857 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.92 38.48 1.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.255 1.822 . . . . 64.23 112.303 -168.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.411 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.5 mt -85.97 -16.89 36.9 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 123.649 1.69 . . . . 63.31 109.501 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -61.15 -34.03 74.36 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 128.183 2.593 . . . . 75.12 110.024 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -28.27 67.32 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 129.13 2.972 . . . . 55.31 111.901 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 68' ' ' LEU . 72.5 mt -69.45 159.85 32.49 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.873 2.069 . . . . 73.5 111.582 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -74.94 139.56 43.11 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.726 -1.234 . . . . 72.02 109.141 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.59 -27.32 67.64 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.983 1.105 . . . . 73.03 113.983 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -58.59 -34.22 70.84 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.692 -1.255 . . . . 73.15 113.699 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ptp -80.31 -11.19 59.74 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.795 -1.191 . . . . 64.44 112.395 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.54 23.33 11.8 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.204 3.002 . . . . 70.23 115.62 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -81.74 123.62 28.91 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 119.715 -1.866 . . . . 72.02 111.414 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -141.29 152.65 44.66 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.816 -1.179 . . . . 54.03 107.816 166.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -67.81 129.54 40.22 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.571 1.177 . . . . 73.54 113.503 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.65 -8.81 79.23 Favored Glycine 0 C--N 1.347 1.165 0 C-N-CA 124.545 1.069 . . . . 43.3 114.757 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -102.54 22.38 13.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.038 -1.272 . . . . 73.45 111.441 -170.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.15 81.84 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 114.533 1.309 . . . . 71.12 114.533 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.0 mtt -61.36 -40.51 94.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.436 1.016 . . . . 71.21 112.305 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -73.2 -44.61 59.46 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.575 0.75 . . . . 73.15 112.724 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.07 -47.5 85.61 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 126.656 1.983 . . . . 75.33 113.331 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.89 93.52 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 121.044 -1.035 . . . . 75.31 113.074 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.0 mtp -63.49 -36.84 85.09 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.693 1.197 . . . . 52.44 113.63 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.37 -27.74 68.73 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.865 -1.147 . . . . 72.12 112.485 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -94.23 13.59 22.89 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.738 1.615 . . . . 74.24 114.556 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.05 0.89 63.33 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.969 -1.082 . . . . 22.43 114.284 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 142.33 57.28 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 118.394 1.097 . . . . 55.21 111.329 163.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.05 169.38 16.77 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.391 -2.068 . . . . 74.12 107.803 168.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.78 -34.31 78.03 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.568 -1.333 . . . . 70.12 112.798 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.69 90.09 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.628 1.971 . . . . 54.4 112.346 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.98 -35.76 66.94 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 121.123 -0.986 . . . . 63.12 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.65 85.0 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.897 0.879 . . . . 74.43 112.909 175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.26 -28.23 66.14 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.776 -1.203 . . . . 63.32 112.394 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -42.43 97.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 115.014 1.487 . . . . 71.51 115.014 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 135' ' ' ALA . 42.2 mt -63.43 -41.24 98.67 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 121.748 2.067 . . . . 65.35 112.644 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.07 -40.87 97.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.354 -0.841 . . . . 73.14 111.766 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.75 -42.59 97.81 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.573 -1.329 . . . . 74.52 112.328 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -44.75 93.16 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 C-N-CA 124.363 1.065 . . . . 62.31 110.406 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -58.47 -56.79 17.56 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 121.777 -0.577 . . . . 70.4 111.935 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -68.58 -29.35 67.87 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 121.27 -0.894 . . . . 74.54 110.824 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 t -66.74 -40.21 88.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-O 122.518 1.151 . . . . 74.31 113.336 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.461 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -68.32 -34.91 76.98 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.569 1.548 . . . . 65.24 114.452 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.26 -32.2 70.93 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.342 1.057 . . . . 71.43 111.347 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -83.66 -19.63 35.01 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.328 0.651 . . . . 54.11 111.797 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.2 m -100.48 -30.61 3.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.151 0 O-C-N 121.505 -0.747 . . . . 74.0 111.193 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.79 155.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 N-CA-C 114.64 1.348 . . . . 74.44 114.64 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.1 m -66.8 126.84 30.29 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.95 -1.094 . . . . 33.25 112.34 164.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 111' ' ' THR . 73.7 mt -112.63 132.78 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.641 0 C-N-CA 129.239 3.016 . . . . 73.13 103.675 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 t -114.41 128.69 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 N-CA-C 105.796 -1.928 . . . . 64.04 105.796 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.59 91.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.702 1.371 . . . . 75.42 114.702 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.14 -37.76 88.46 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.409 1.484 . . . . 73.53 114.593 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -127.5 92.93 41.9 Favored Pre-proline 0 C--N 1.348 0.52 0 CA-C-O 118.332 -0.842 . . . . 75.21 108.886 -162.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.12 -14.12 37.54 Favored 'Trans proline' 0 C--N 1.33 -0.404 0 C-N-CA 122.649 2.233 . . . . 64.4 112.609 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.55 -42.7 70.81 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.786 1.234 . . . . 55.34 110.575 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.88 95.74 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 121.272 -0.892 . . . . 70.13 111.09 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 103' ' ' ILE . 76.9 m -55.99 -46.29 78.73 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.72 0.267 . . . . 62.41 111.72 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.32 -48.75 69.31 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.743 -1.223 . . . . 73.52 113.929 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -44.66 82.63 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.388 1.475 . . . . 75.24 112.102 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.74 -42.01 99.46 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 123.73 0.812 . . . . 73.31 109.858 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.05 -47.23 83.88 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.569 -0.707 . . . . 74.53 112.422 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.77 97.55 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.605 1.162 . . . . 73.53 110.771 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -71.73 -29.61 64.71 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-O 119.205 -0.426 . . . . 73.24 110.51 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.78 -46.13 69.53 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 119.943 1.247 . . . . 54.31 113.365 167.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.9 t80 -54.49 -48.05 72.31 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.06 1.504 . . . . 71.14 115.06 172.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.647 ' HD2' HD11 ' A' ' 123' ' ' ILE . 11.1 mmmm -63.49 -29.32 70.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.754 -0.591 . . . . 71.03 112.367 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.12 97.94 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.658 1.218 . . . . 73.13 111.78 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.95 -46.17 68.86 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.113 1.153 . . . . 71.04 114.113 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.818 ' HA ' HD12 ' A' ' 126' ' ' LEU . 23.5 pt -67.01 -22.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 119.117 -2.239 . . . . 71.5 114.719 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.97 -39.98 94.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.452 1.101 . . . . 64.54 111.371 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -70.63 -28.81 65.11 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.139 0.975 . . . . 63.14 113.369 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.3 mt -68.42 152.89 44.77 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 126.947 2.099 . . . . 73.12 115.275 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.34 0.09 53.16 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.848 1.259 . . . . 62.2 111.872 -176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -130.81 155.26 47.0 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.206 -1.405 . . . . 73.3 107.206 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.78 119.54 41.0 Favored Pre-proline 0 N--CA 1.443 -0.779 0 CA-C-O 118.49 -0.767 . . . . 71.31 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.77 152.15 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.513 2.142 . . . . 73.45 109.345 156.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.0 p -89.8 169.76 10.99 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 107.039 -1.467 . . . . 64.23 107.039 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.41 -24.12 67.7 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.355 -1.466 . . . . 73.25 113.478 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 119.922 -1.736 . . . . 74.22 112.381 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.94 -43.03 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 C-N-CA 126.099 1.76 . . . . 73.13 113.553 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.45 -47.64 81.02 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.539 1.063 . . . . 72.35 112.581 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -35.91 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 121.504 -0.748 . . . . 71.34 110.047 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.19 99.71 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-O 119.018 -0.879 . . . . 72.25 114.022 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.3 mt-10 -65.12 -37.4 87.32 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.517 1.658 . . . . 74.12 113.661 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.0 mt -62.04 -51.33 68.41 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 113.655 0.983 . . . . 63.51 113.655 171.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 56' ' ' ALA . 37.4 mt -69.39 -40.64 77.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.498 -1.228 . . . . 73.4 111.829 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.72 94.57 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.183 -1.573 . . . . 61.33 113.554 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -96.7 32.82 1.97 Allowed 'General case' 0 C--N 1.352 0.675 0 O-C-N 121.304 -0.872 . . . . 72.01 111.374 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.261 1.681 0 O-C-N 120.006 -1.684 . . . . 61.31 114.414 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.515 2.815 0 N-CA-C 114.81 1.411 . . . . 73.42 114.81 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -66.92 -45.17 78.73 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.623 -1.298 . . . . 74.3 113.408 -172.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -80.62 -2.08 44.99 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 122.746 1.26 . . . . 70.42 114.279 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.39 -46.21 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 125.287 1.435 . . . . 72.32 110.91 168.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.91 -42.09 90.62 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 113.884 1.068 . . . . 73.25 113.884 -146.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -140.31 142.78 35.62 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 104.428 -2.434 . . . . 73.33 104.428 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.19 145.58 55.62 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 122.007 0.908 . . . . 75.04 113.115 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -75.38 135.75 40.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 122.046 0.927 . . . . 73.03 113.116 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -124.36 159.71 29.75 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.971 -2.233 . . . . 72.14 104.971 165.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -100.6 104.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 106.423 -1.695 . . . . 52.11 106.423 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -146.58 156.19 43.04 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 104.871 -2.27 . . . . 61.32 104.871 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -84.15 50.01 1.76 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-O 123.285 1.517 . . . . 63.22 111.636 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.22 -41.51 96.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 117.905 2.557 . . . . 75.22 117.905 -169.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.84 -46.72 92.72 Favored Pre-proline 0 C--N 1.353 0.728 0 CA-C-O 116.418 -1.753 . . . . 63.23 113.914 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.41 -27.88 18.7 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 CA-C-N 124.969 2.81 . . . . 65.52 113.434 167.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 ttm -68.55 -44.24 74.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.255 1.389 . . . . 74.53 111.76 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.24 -33.99 72.31 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.13 0.972 . . . . 71.52 111.618 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.87 86.0 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.879 0.872 . . . . 65.42 111.773 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -71.68 -1.76 14.91 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 125.207 1.403 . . . . 73.11 114.561 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 -48.25 7.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 119.811 -1.806 . . . . 65.33 110.01 165.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.61 -35.22 30.33 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.636 -1.915 . . . . 75.24 114.593 -173.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.53 -38.16 77.18 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 128.325 2.65 . . . . 70.43 110.49 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.47 -9.19 51.0 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.224 -1.353 . . . . 64.51 109.187 -173.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.5 46.01 15.6 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.651 1.98 . . . . 73.23 112.924 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.82 159.11 41.96 Favored Pre-proline 0 C--N 1.351 0.654 0 C-N-CA 124.728 1.211 . . . . 63.41 110.078 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.0 Cg_endo -74.7 166.41 29.4 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.635 2.223 . . . . 72.51 114.214 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.66 -29.61 70.82 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 129.003 2.921 . . . . 75.24 109.628 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.73 73.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 126.887 2.075 . . . . 51.53 114.386 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.6 m -97.41 -23.38 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 O-C-N 119.958 -1.714 . . . . 71.53 111.973 -172.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -31.35 70.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.201 -1.562 . . . . 73.13 110.621 171.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.69 -17.06 59.34 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 121.093 -1.004 . . . . 72.43 112.35 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.66 -37.68 79.39 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 121.321 -0.862 . . . . 53.41 112.925 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 52' ' ' ILE . 33.0 t80 -59.59 -40.72 88.36 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 125.276 1.43 . . . . 72.12 114.55 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.73 -41.22 88.26 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 119.731 -1.856 . . . . 65.5 113.655 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.15 -24.52 67.42 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.805 2.042 . . . . 71.5 114.162 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.64 -40.85 76.13 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 127.451 2.3 . . . . 73.31 112.409 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -76.82 -12.42 59.97 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.548 -0.72 . . . . 74.51 111.842 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -63.87 127.03 29.59 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 122.054 0.931 . . . . 54.43 111.952 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.21 132.76 42.47 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.188 -1.57 . . . . 74.3 110.599 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.61 68.7 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-O 119.397 -0.668 . . . . 72.42 113.25 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -95.56 138.74 32.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.258 1.529 . . . . 74.52 112.315 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -113.78 112.32 23.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.106 -1.072 . . . . 70.11 108.106 172.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.6 mm -98.97 122.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.274 -1.01 . . . . 72.24 108.274 171.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -117.93 -1.9 11.4 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.442 1.497 . . . . 74.0 111.521 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -85.39 129.92 34.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.31 -0.869 . . . . 53.41 111.288 -165.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -59.98 -31.4 69.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 126.394 1.877 . . . . 64.45 114.443 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.7 mt-10 -62.2 -29.72 70.58 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 115.055 1.502 . . . . 72.45 115.055 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.49 91.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.481 0.582 . . . . 52.23 111.401 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -37.98 94.29 Favored Glycine 0 CA--C 1.489 -1.563 0 O-C-N 120.062 -1.649 . . . . 43.35 113.083 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.4 m -63.55 -41.0 98.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.448 1.099 . . . . 64.03 111.044 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.65 -42.68 86.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 121.338 -0.851 . . . . 73.4 111.594 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.7 mt -59.86 -46.35 93.9 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 120.961 -1.087 . . . . 64.04 112.561 -174.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.3 pp -68.31 -28.32 67.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.38 1.252 . . . . 64.24 114.38 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.8 t -62.75 -43.06 99.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.212 1.405 . . . . 71.24 112.326 174.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.8 -35.68 77.08 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 121.144 1.793 . . . . 52.41 113.326 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.66 -39.09 70.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 115.863 1.801 . . . . 74.21 115.863 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -70.22 -41.79 73.13 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 122.571 1.177 . . . . 74.04 111.57 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -92.07 49.47 1.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.28 1.432 . . . . 75.01 113.072 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.1 mt -93.26 -17.73 23.3 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.593 1.664 . . . . 64.11 109.699 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -31.74 72.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 127.283 2.233 . . . . 65.2 109.743 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -28.06 66.92 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.727 3.211 . . . . 63.24 111.8 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 68' ' ' LEU . 75.1 mt -69.74 158.29 35.7 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 126.991 2.117 . . . . 71.43 112.524 -173.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.97 130.25 40.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.212 -0.904 . . . . 71.33 111.102 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.77 -26.98 67.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 125.192 1.397 . . . . 72.21 114.016 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.02 -32.43 66.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 125.65 1.58 . . . . 71.31 114.212 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 ptp -82.16 -11.46 58.71 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.136 1.334 . . . . 75.33 111.728 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 63.94 28.01 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 128.898 2.879 . . . . 62.32 115.37 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -80.5 123.14 27.83 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 119.736 -1.853 . . . . 44.43 110.038 178.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -141.02 150.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 106.767 -1.568 . . . . 71.3 106.767 163.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.52 133.52 51.42 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.903 1.281 . . . . 71.13 111.836 -173.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.94 -12.68 63.21 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 123.641 0.639 . . . . 62.31 114.212 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -102.87 22.92 12.97 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.625 1.57 . . . . 72.11 110.407 -169.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.35 81.37 Favored 'General case' 0 CA--C 1.49 -1.361 0 C-N-CA 125.503 1.521 . . . . 73.12 114.045 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.3 mtp -61.16 -40.58 94.41 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 119.343 0.974 . . . . 71.41 112.516 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -70.95 -44.77 65.39 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.214 0.82 . . . . 71.4 113.214 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.51 -47.64 85.26 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.98 2.112 . . . . 75.01 113.143 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.58 91.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.138 0.975 . . . . 71.13 112.97 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.47 -35.67 81.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.807 1.243 . . . . 73.0 114.021 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -28.45 69.48 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 120.745 -1.222 . . . . 74.23 112.108 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.7 15.31 20.41 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.247 1.819 . . . . 73.43 114.418 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.42 -2.72 63.14 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 121.218 -0.926 . . . . 74.52 113.885 165.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.57 58.42 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 118.294 1.047 . . . . 74.42 111.929 165.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -81.33 170.44 16.01 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.342 -2.099 . . . . 61.04 108.628 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -65.01 -34.88 79.5 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.563 -1.336 . . . . 71.01 112.694 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.06 83.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.479 1.912 . . . . 71.24 112.335 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.6 -38.9 84.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.943 1.297 . . . . 74.14 112.267 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.618 0.97 . . . . 62.11 113.618 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -68.34 -29.54 68.3 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.585 -1.322 . . . . 73.2 111.767 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.6 -42.97 97.85 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.267 1.58 . . . . 75.15 115.267 170.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.4 mt -63.46 -42.24 98.61 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.888 2.131 . . . . 73.33 112.022 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.71 -39.93 95.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.017 -1.052 . . . . 64.12 112.118 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.726 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 95.4 m-20 -67.02 -41.07 87.26 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 116.793 2.146 . . . . 72.12 116.793 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.69 -43.37 87.49 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 CA-C-N 120.016 1.28 . . . . 74.22 109.438 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -55.6 -51.64 66.47 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.546 0.572 . . . . 55.55 112.546 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.726 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 26.3 p80 -76.03 -26.17 56.38 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 120.035 -1.666 . . . . 70.21 110.734 -170.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 t -65.49 -40.86 93.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 112.353 -2.203 . . . . 64.43 113.045 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.499 ' HA ' HG22 ' A' ' 100' ' ' VAL . 19.7 m -69.89 -35.79 74.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.885 1.439 . . . . 22.22 114.885 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.63 -28.91 68.91 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.393 1.477 . . . . 75.33 112.888 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -85.3 -19.34 31.68 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.677 0.791 . . . . 43.54 112.001 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -102.58 -31.7 3.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 O-C-N 121.33 -0.856 . . . . 71.3 111.386 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -70.6 154.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.351 1.241 . . . . 72.53 114.351 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.6 m -66.42 126.01 27.48 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.79 -1.193 . . . . 64.44 112.146 164.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.412 HG12 HG23 ' A' ' 111' ' ' THR . 71.9 mt -110.26 132.28 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.663 0 C-N-CA 128.845 2.858 . . . . 72.01 103.454 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.2 t -112.88 128.41 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 106.269 -1.752 . . . . 60.23 106.269 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.07 90.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.376 1.25 . . . . 75.33 114.376 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.456 1.502 . . . . 72.12 114.452 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.23 91.8 40.87 Favored Pre-proline 0 C--N 1.35 0.599 0 CA-C-O 118.054 -0.974 . . . . 75.52 109.728 -160.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.54 -13.46 40.0 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 122.898 2.399 . . . . 65.13 113.262 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.3 m -68.56 -43.66 76.14 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.272 1.029 . . . . 64.52 110.793 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.25 1.02 . . . . 73.33 110.896 173.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.412 HG23 HG12 ' A' ' 103' ' ' ILE . 65.3 m -56.39 -46.21 80.24 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.515 0.326 . . . . 73.45 111.428 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.8 tpp -65.7 -49.19 69.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.69 -1.256 . . . . 71.44 114.324 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -45.21 82.5 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.093 1.357 . . . . 71.33 112.19 -177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.022 0.929 . . . . 74.3 109.741 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.36 -46.75 85.12 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.27 -0.894 . . . . 73.0 112.506 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.84 99.89 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 125.051 1.34 . . . . 62.53 110.707 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.2 ptm -71.95 -30.35 65.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 119.141 -0.457 . . . . 54.21 110.794 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.7 t -68.75 -47.26 66.71 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.128 1.331 . . . . 54.12 113.566 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.81 -47.97 76.23 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 115.3 1.592 . . . . 70.11 115.3 174.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 123' ' ' ILE . 26.6 ttpp -61.73 -32.9 73.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.428 1.091 . . . . 70.13 111.496 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.66 98.29 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 122.339 1.066 . . . . 73.11 112.022 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.96 -45.84 73.08 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.475 1.51 . . . . 63.42 113.876 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.7 pt -64.78 -23.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.169 -2.207 . . . . 74.23 114.564 173.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.96 -35.66 81.88 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 121.249 -0.907 . . . . 64.4 111.504 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -75.41 -25.17 57.33 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.34 -1.475 . . . . 72.43 112.541 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.91 154.07 42.69 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.446 2.299 . . . . 55.21 115.104 -171.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 0.44 50.19 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.496 1.119 . . . . 62.53 111.688 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -131.31 153.78 49.22 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.297 -1.742 . . . . 73.42 106.297 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.29 118.5 37.6 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-O 118.473 -0.775 . . . . 74.12 111.219 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.92 148.16 63.44 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.412 2.075 . . . . 75.32 109.288 159.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.1 t -81.18 165.71 21.29 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.655 -0.869 . . . . 65.1 108.655 164.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.87 -32.87 73.26 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.784 -1.197 . . . . 63.11 111.394 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.653 0.781 . . . . 60.51 112.294 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.08 -44.76 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.578 1.951 . . . . 73.4 114.442 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.27 82.61 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 113.328 0.862 . . . . 75.25 113.328 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.33 -28.72 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.062 0 O-C-N 120.946 -1.096 . . . . 53.23 108.269 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.93 98.58 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 121.526 -0.734 . . . . 54.24 114.027 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.4 mt-10 -65.33 -35.32 80.63 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.829 1.315 . . . . 60.21 113.181 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.9 mt -64.0 -54.86 27.69 Favored 'General case' 0 CA--C 1.476 -1.897 0 C-N-CA 124.163 0.985 . . . . 73.12 111.822 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 56' ' ' ALA . 57.6 mt -67.19 -40.07 86.48 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.279 -0.873 . . . . 74.02 112.519 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.39 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.389 -1.444 . . . . 74.53 114.736 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.18 -25.34 42.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.788 -1.195 . . . . 71.23 111.865 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.262 1.733 0 N-CA-C 115.613 1.709 . . . . 71.45 115.613 -175.276 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.516 2.859 0 N-CA-C 117.269 2.322 . . . . 72.23 117.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -72.58 -34.7 67.61 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.717 -1.239 . . . . 72.34 112.988 -173.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.13 -1.24 52.39 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.372 1.082 . . . . 73.41 113.492 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.48 -45.64 77.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 114.43 -1.259 . . . . 75.22 110.296 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.4 mtp -67.58 -41.67 83.76 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.938 1.088 . . . . 75.02 113.938 -147.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -93.66 125.1 38.08 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.396 0.678 . . . . 71.32 110.208 -174.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.91 145.48 48.47 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.325 -0.86 . . . . 55.3 112.24 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -130.82 148.93 52.65 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.333 -0.988 . . . . 63.43 108.333 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.1 p -115.44 150.12 36.95 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 108.309 -0.997 . . . . 74.2 108.309 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.2 mt -111.06 117.11 54.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.311 -1.366 . . . . 75.13 107.311 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -66.1 -40.52 90.82 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.665 1.186 . . . . 74.15 113.442 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -82.81 7.34 15.42 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.437 1.095 . . . . 72.34 113.441 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.06 -18.54 61.31 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 125.585 1.554 . . . . 40.21 114.901 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.06 -46.03 96.29 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-O 116.259 -1.829 . . . . 61.55 114.316 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.41 -27.79 27.73 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 CA-C-N 125.354 2.948 . . . . 73.12 113.211 168.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -68.5 -43.96 75.74 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 74.23 112.268 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.12 -31.84 66.4 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 121.466 -0.771 . . . . 74.23 112.054 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.9 90.93 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 121.203 -0.936 . . . . 43.12 112.022 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.63 -0.82 14.02 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 125.142 1.377 . . . . 41.01 114.269 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -48.34 7.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 119.977 -1.702 . . . . 71.23 109.674 166.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -79.82 -36.87 36.24 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.952 -1.718 . . . . 72.2 114.544 -174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.24 -37.74 78.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 127.807 2.443 . . . . 72.32 110.368 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 -9.93 49.11 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.14 -1.391 . . . . 73.15 109.189 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 58.17 47.09 14.93 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.807 2.043 . . . . 52.32 113.304 -174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.63 158.52 45.09 Favored Pre-proline 0 C--N 1.347 0.496 0 C-N-CA 124.415 1.086 . . . . 64.32 109.553 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -73.78 166.27 30.14 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.616 2.211 . . . . 64.25 113.186 175.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -63.29 -29.99 71.21 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 128.013 2.525 . . . . 74.23 109.597 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.51 70.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 127.227 2.211 . . . . 71.23 113.265 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.8 m -97.38 -23.34 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 120.235 -1.541 . . . . 63.32 111.844 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.3 ptm -66.61 -33.3 75.36 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.334 -1.479 . . . . 72.43 112.082 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.41 -17.92 59.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.8 -1.188 . . . . 63.1 112.991 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.51 -37.4 78.23 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.162 -0.962 . . . . 72.41 112.958 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.412 ' CD2' HG12 ' A' ' 52' ' ' ILE . 24.7 t80 -59.56 -41.76 90.9 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.393 1.257 . . . . 72.35 114.393 169.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.26 -40.33 86.22 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 119.775 -1.828 . . . . 71.33 113.632 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -64.52 -23.19 67.19 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.806 2.043 . . . . 73.12 114.304 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -55.32 -40.29 70.97 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 127.081 2.152 . . . . 75.02 112.16 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -82.82 -8.95 59.54 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.808 0.843 . . . . 53.22 110.714 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -66.85 138.28 57.21 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.316 1.046 . . . . 65.55 112.112 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.08 135.97 41.18 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.139 -1.6 . . . . 65.22 110.994 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.92 -13.11 68.44 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-O 119.392 -0.671 . . . . 74.23 113.098 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -99.57 143.1 30.21 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 124.685 2.183 . . . . 74.35 116.498 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -122.92 133.79 54.38 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 111.62 -2.536 . . . . 72.12 105.412 164.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.5 mm -113.74 125.02 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 C-N-CA 128.311 2.644 . . . . 72.14 107.449 172.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -126.38 11.91 7.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 123.621 0.768 . . . . 73.41 110.915 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -87.88 131.32 34.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.786 1.235 . . . . 71.12 111.253 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.9 -32.79 71.07 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.508 1.923 . . . . 73.31 113.592 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.2 mt-10 -62.35 -30.48 71.21 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 115.943 1.831 . . . . 70.31 115.943 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.28 90.35 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.741 0.7 . . . . 75.21 111.493 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -38.98 96.55 Favored Glycine 0 CA--C 1.488 -1.641 0 O-C-N 120.397 -1.439 . . . . 74.31 113.262 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.24 -40.94 98.87 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.279 1.032 . . . . 64.44 111.189 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.16 -42.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.189 -0.944 . . . . 73.13 111.968 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.9 mt -60.08 -46.05 94.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 O-C-N 120.831 -1.168 . . . . 74.44 112.151 -173.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.3 pp -67.88 -28.46 67.53 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.263 1.209 . . . . 72.22 114.263 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.519 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.6 t -62.91 -42.7 99.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.626 1.57 . . . . 54.52 112.094 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -37.34 81.42 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 121.021 1.737 . . . . 71.42 113.809 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.6 -39.05 70.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 114.738 1.385 . . . . 75.2 114.738 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.95 -37.7 72.82 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.252 1.025 . . . . 51.12 112.927 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -98.04 33.58 2.11 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.84 1.656 . . . . 74.04 112.752 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.5 mt -78.28 -29.49 47.95 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-O 123.377 1.561 . . . . 62.54 110.735 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.67 -14.72 54.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.037 1.335 . . . . 63.11 112.992 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.59 -27.31 58.48 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.162 1.785 . . . . 73.03 111.328 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.419 HD12 HD13 ' A' ' 68' ' ' LEU . 56.3 mt -68.42 159.97 30.56 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.865 2.466 . . . . 75.03 111.443 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -67.89 133.01 48.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.988 -1.07 . . . . 72.34 112.145 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -61.54 -26.64 68.07 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.59 -1.318 . . . . 65.15 113.828 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.71 -34.79 67.81 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.038 1.335 . . . . 73.23 113.464 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.25 -11.12 58.11 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.717 -1.239 . . . . 63.13 112.244 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 61.36 27.82 17.39 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.097 2.559 . . . . 74.01 116.534 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.419 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.61 121.55 26.48 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.976 -1.703 . . . . 75.22 111.113 178.392 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.0 151.26 45.33 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.495 -0.928 . . . . 72.13 108.495 166.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.82 129.43 39.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 122.498 1.142 . . . . 72.42 113.458 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.64 -8.59 76.72 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.344 1.45 . . . . 75.21 115.28 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.8 33.13 4.96 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.964 1.382 . . . . 65.44 110.579 -169.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.0 89.86 Favored 'General case' 0 CA--C 1.495 -1.172 0 O-C-N 120.902 -1.124 . . . . 63.01 113.877 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -60.37 -41.11 93.04 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.442 1.019 . . . . 74.11 113.077 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.72 -44.97 63.2 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 112.699 0.629 . . . . 74.33 112.699 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.69 -48.5 81.53 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.222 1.809 . . . . 61.03 113.306 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.38 97.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 120.991 -1.068 . . . . 72.5 113.094 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.12 -35.2 79.99 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 113.918 1.081 . . . . 72.11 113.918 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.05 -30.45 70.33 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.773 -1.204 . . . . 72.54 112.564 170.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -93.67 14.14 20.0 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.889 1.676 . . . . 75.35 114.64 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.36 -1.51 62.41 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.037 -1.04 . . . . 71.23 114.075 167.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 140.43 57.45 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.414 1.107 . . . . 53.4 111.37 164.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -81.53 170.12 16.28 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.419 -2.051 . . . . 75.44 108.125 169.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.68 -34.37 78.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.595 -1.316 . . . . 75.21 112.77 -173.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.65 83.95 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.457 1.903 . . . . 63.03 112.248 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -71.07 -36.03 72.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 121.213 -0.929 . . . . 62.11 112.458 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.828 0.823 . . . . 62.02 112.867 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.85 -27.61 64.98 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.831 -1.168 . . . . 74.2 112.631 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.62 -42.67 97.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.924 1.453 . . . . 64.23 114.924 169.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 135' ' ' ALA . 45.0 mt -63.57 -41.11 98.4 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.546 1.976 . . . . 64.31 112.654 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.28 -40.43 95.94 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.312 -0.867 . . . . 65.45 112.101 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.06 -42.36 97.04 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 120.377 -1.452 . . . . 71.54 112.588 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.33 -44.92 93.46 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 124.351 1.06 . . . . 74.14 110.333 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.3 -54.84 42.18 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 121.86 -0.525 . . . . 75.21 111.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -70.99 -25.98 62.94 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.642 -1.286 . . . . 71.34 111.938 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -65.74 -40.63 92.34 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.513 1.149 . . . . 51.33 112.906 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 21.2 m -68.65 -35.57 77.44 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 114.299 1.222 . . . . 40.54 114.299 173.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.36 -29.23 68.77 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.995 1.318 . . . . 71.14 113.095 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -86.61 -18.74 30.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.935 0.494 . . . . 72.32 112.133 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -101.5 -31.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 121.442 -0.786 . . . . 62.12 111.258 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -70.95 154.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.443 1.275 . . . . 71.34 114.443 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.2 m -66.93 126.66 29.81 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.929 -1.107 . . . . 74.5 112.254 165.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.425 HG12 HG23 ' A' ' 111' ' ' THR . 71.5 mt -110.5 132.54 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.553 0 C-N-CA 129.149 2.98 . . . . 71.2 103.822 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 t -114.25 127.55 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 106.522 -1.658 . . . . 72.42 106.522 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.28 95.55 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.752 1.39 . . . . 75.23 114.752 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.42 -39.37 94.31 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.322 1.849 . . . . 74.35 112.718 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -131.36 96.61 21.18 Favored Pre-proline 0 C--N 1.349 0.544 0 CA-C-O 118.112 -0.947 . . . . 71.34 110.329 -160.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.08 -13.67 38.75 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 CA-C-N 123.135 2.155 . . . . 75.31 112.87 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -69.13 -44.67 71.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.703 1.201 . . . . 72.42 110.754 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.98 95.72 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.098 0.959 . . . . 73.04 111.368 172.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 103' ' ' ILE . 69.6 m -56.44 -46.56 80.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 117.834 0.288 . . . . 52.22 111.576 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.98 -48.74 70.26 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.758 -1.214 . . . . 72.22 113.666 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.18 78.73 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.168 1.387 . . . . 53.25 112.87 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.46 -41.44 98.77 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.162 0.985 . . . . 61.35 109.298 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.02 -46.9 85.4 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 121.423 -0.798 . . . . 62.31 112.367 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.24 98.71 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.717 1.207 . . . . 53.12 110.946 -174.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.4 ptm -71.85 -29.02 63.95 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 119.093 -0.479 . . . . 63.53 111.151 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.8 -46.56 65.43 Favored 'General case' 0 C--N 1.37 1.472 0 CA-C-N 120.165 1.348 . . . . 71.55 113.684 166.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.1 t80 -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.037 1.495 . . . . 75.11 115.037 174.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HA ' HG12 ' A' ' 123' ' ' ILE . 57.9 tptt -63.41 -29.67 70.93 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 123.577 0.751 . . . . 44.1 112.338 176.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.02 99.74 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.479 1.133 . . . . 34.33 111.974 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.39 -45.99 71.2 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 114.645 1.35 . . . . 75.11 114.645 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.807 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.8 pt -67.87 -20.04 25.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 118.639 -2.538 . . . . 62.45 115.501 172.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.18 -40.44 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.147 0.979 . . . . 61.12 111.517 168.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 113.491 0.922 . . . . 72.2 113.491 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.5 mt -68.76 153.01 44.56 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.922 2.089 . . . . 63.05 115.504 -172.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.33 -0.31 54.35 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.979 1.312 . . . . 72.34 111.914 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -130.57 155.09 47.11 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 106.797 -1.557 . . . . 72.14 106.797 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.43 119.13 42.5 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-O 118.544 -0.741 . . . . 73.11 111.309 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -70.1 151.2 67.05 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.457 2.104 . . . . 70.31 109.028 155.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -88.71 168.92 12.1 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 106.832 -1.544 . . . . 62.45 106.832 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.63 -24.42 67.79 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.275 -1.516 . . . . 75.45 113.663 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.8 -41.35 97.63 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.508 -1.37 . . . . 75.03 112.125 172.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.05 -43.13 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 C-N-CA 126.349 1.86 . . . . 64.53 113.301 -171.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.86 80.38 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.602 1.092 . . . . 71.41 112.523 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.34 -32.5 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 O-C-N 121.503 -0.748 . . . . 73.44 109.307 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.72 99.75 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.161 -0.8 . . . . 72.54 113.88 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.452 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.9 mt-10 -64.29 -37.54 87.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.361 1.581 . . . . 62.51 113.797 173.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.1 mt -61.58 -54.55 41.55 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 112.968 0.729 . . . . 74.15 112.968 171.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 56' ' ' ALA . 69.6 mt -67.48 -38.68 84.77 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.233 -0.894 . . . . 53.45 112.457 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.15 96.3 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.844 -1.16 . . . . 75.42 113.75 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.79 -36.5 78.35 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.135 -0.978 . . . . 65.51 111.622 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.258 1.545 0 N-CA-C 114.959 1.466 . . . . 73.34 114.959 -176.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.515 2.797 0 N-CA-C 114.684 1.364 . . . . 71.0 114.684 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -64.51 -35.85 82.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.69 1.367 . . . . 73.04 114.69 -172.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.56 2.32 51.11 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 124.171 0.989 . . . . 64.04 113.559 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.5 -60.28 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 107.417 -1.327 . . . . 73.31 107.417 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.5 ptp 45.75 40.48 6.39 Favored 'General case' 0 N--CA 1.432 -1.335 1 C-N-CA 133.41 4.684 . . . . 65.31 115.541 -172.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -139.42 139.67 37.16 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 106.881 -1.526 . . . . 61.45 106.881 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -65.65 136.34 56.19 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.481 1.113 . . . . 75.41 112.181 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.5 mmm -128.87 148.58 50.91 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.207 -1.034 . . . . 64.51 108.207 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -144.73 171.87 13.8 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 106.127 -1.805 . . . . 74.11 106.127 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.56 134.69 29.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 124.564 1.146 . . . . 63.22 111.816 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -158.72 176.93 11.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 120.622 -1.299 . . . . 71.3 108.95 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -122.06 21.48 10.52 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.896 1.278 . . . . 63.32 110.462 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.57 42.33 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 115.716 1.747 . . . . 51.03 115.716 -168.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.18 -46.78 95.86 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.736 -1.602 . . . . 75.42 113.605 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.47 -29.22 31.33 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 CA-C-N 124.638 2.692 . . . . 74.52 113.935 168.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.1 ttt -70.1 -43.22 71.51 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.823 1.192 . . . . 72.34 112.164 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.49 -31.93 69.23 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 121.098 -1.001 . . . . 73.03 111.664 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.94 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.636 0.774 . . . . 23.23 112.983 170.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 95.4 m -60.26 -44.96 94.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.212 0.915 . . . . 71.43 110.32 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -43.01 93.73 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 119.777 -1.827 . . . . 71.33 111.904 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 114.762 1.393 . . . . 75.1 114.762 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.67 -39.6 88.99 Favored 'General case' 0 CA--C 1.487 -1.449 0 C-N-CA 126.759 2.023 . . . . 72.24 110.543 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 mt -83.74 -7.06 59.56 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.797 -1.092 . . . . 73.44 110.233 -177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.54 45.91 21.48 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.492 2.317 . . . . 71.03 113.479 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.73 158.28 44.04 Favored Pre-proline 0 C--N 1.35 0.618 0 C-N-CA 124.126 0.971 . . . . 54.32 109.375 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -74.37 166.69 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.503 2.135 . . . . 71.35 113.288 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.5 -30.68 71.45 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 128.421 2.689 . . . . 75.42 109.446 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.91 65.31 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 128.056 2.542 . . . . 64.3 113.485 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.2 m -101.65 -23.71 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.244 -1.382 . . . . 43.45 112.238 -172.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -66.83 -32.38 73.62 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.172 -1.58 . . . . 71.11 111.604 166.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.06 -21.89 61.45 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.38 -0.825 . . . . 71.12 112.915 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.08 -37.76 83.83 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.055 -1.028 . . . . 75.32 112.781 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' HG12 ' A' ' 52' ' ' ILE . 18.8 t80 -60.91 -44.09 97.65 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 114.28 1.215 . . . . 75.4 114.28 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.4 p90 -71.42 -34.41 70.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 119.604 -1.935 . . . . 74.2 116.018 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -63.15 -20.96 65.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.639 1.576 . . . . 64.12 114.729 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -57.74 -41.03 81.02 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.059 2.144 . . . . 74.22 111.678 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -80.78 -10.43 59.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.995 0.918 . . . . 72.44 111.963 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -64.97 132.9 50.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.733 0.813 . . . . 54.51 111.739 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.06 130.6 43.66 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.225 -1.547 . . . . 75.24 111.36 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.05 -3.8 82.75 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 121.574 -0.704 . . . . 54.14 114.416 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.07 136.22 36.81 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.418 1.609 . . . . 74.41 111.88 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -113.72 113.78 25.46 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.396 -0.965 . . . . 74.32 108.396 170.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -96.87 125.47 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.437 1.095 . . . . 62.45 108.337 170.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p -119.64 -4.25 10.29 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.802 1.241 . . . . 74.4 111.971 -174.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.84 133.78 34.31 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 124.003 0.921 . . . . 52.3 112.545 -163.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.01 -32.78 71.19 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.201 1.8 . . . . 72.54 113.464 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.1 mt-10 -62.96 -29.97 71.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 115.557 1.688 . . . . 73.24 115.557 170.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.08 89.48 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 118.704 0.684 . . . . 62.2 111.461 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.51 95.76 Favored Glycine 0 CA--C 1.49 -1.487 0 O-C-N 120.414 -1.429 . . . . 55.03 113.148 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.7 m -63.7 -41.5 98.11 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.13 0.972 . . . . 71.35 111.049 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.7 p -68.67 -42.04 82.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 121.21 -0.931 . . . . 53.31 111.553 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.5 mt -59.31 -45.34 93.3 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 120.396 -1.44 . . . . 60.41 112.7 -175.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.6 -28.92 68.16 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 114.073 1.138 . . . . 74.32 114.073 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.98 -43.39 98.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.335 1.454 . . . . 74.21 112.094 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.58 -38.05 86.13 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.104 1.775 . . . . 74.01 113.51 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.11 -36.01 72.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 115.855 1.798 . . . . 24.13 115.855 -174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.22 -42.59 72.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.864 0.84 . . . . 73.42 112.867 166.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.95 44.5 1.2 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.233 1.413 . . . . 71.43 113.383 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.5 mt -90.43 -14.0 33.74 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.661 1.696 . . . . 74.14 109.31 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.39 -33.71 75.29 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.043 2.537 . . . . 70.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -27.64 66.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.12 2.968 . . . . 74.1 111.809 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 68' ' ' LEU . 71.2 mt -70.46 159.89 33.41 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.191 2.196 . . . . 74.01 111.45 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.5 141.42 41.27 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.727 -1.233 . . . . 74.34 109.497 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -60.74 -27.9 68.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.261 1.208 . . . . 75.02 114.261 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.48 -33.01 69.31 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.338 -1.476 . . . . 75.52 113.622 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.9 ptp -81.79 -12.25 58.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.814 -1.179 . . . . 74.23 112.819 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 62.29 26.42 15.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.086 2.555 . . . . 74.45 116.507 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -82.18 121.57 26.78 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 119.962 -1.712 . . . . 63.31 110.655 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.29 148.49 41.49 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.789 -1.56 . . . . 71.3 106.789 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.9 t60 -66.62 130.18 42.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.121 0.968 . . . . 70.4 110.865 -174.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -11.2 71.95 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 124.129 0.871 . . . . 60.13 114.898 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -103.0 24.51 10.65 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 118.708 1.254 . . . . 70.54 111.062 -171.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.76 81.73 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 114.657 1.354 . . . . 54.24 114.657 -173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 63.9 mtt -60.8 -39.58 89.44 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 119.201 0.909 . . . . 63.31 112.486 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -74.51 -44.52 50.96 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 113.303 0.853 . . . . 71.11 113.303 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.06 -47.29 86.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 126.808 2.043 . . . . 73.2 113.232 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.76 92.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 121.164 -0.96 . . . . 63.34 112.778 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.71 -34.31 77.59 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.804 1.242 . . . . 60.22 114.199 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.61 -32.62 71.75 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.927 -1.108 . . . . 72.41 112.019 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -93.98 14.15 20.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.902 1.681 . . . . 74.35 114.764 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.96 0.78 63.58 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 121.093 -1.004 . . . . 63.01 114.227 167.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.62 140.37 56.87 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.484 1.142 . . . . 53.22 110.841 162.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -82.79 172.21 13.11 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 119.537 -1.977 . . . . 73.3 108.279 169.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.99 -32.61 74.42 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.283 -1.511 . . . . 74.22 112.929 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.46 77.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.902 1.681 . . . . 63.45 112.118 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.68 -41.02 96.36 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.264 1.826 . . . . 61.34 113.436 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.76 84.83 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.015 0.746 . . . . 63.55 113.015 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -29.11 66.23 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.721 -1.237 . . . . 74.44 112.348 174.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -60.68 -42.7 97.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.391 1.626 . . . . 73.21 115.391 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 40.0 mt -63.42 -40.95 98.56 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 121.886 2.13 . . . . 74.31 112.591 175.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.51 -40.32 95.42 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.424 -0.797 . . . . 73.11 111.695 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.269 -1.519 . . . . 72.13 112.549 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.71 -45.44 94.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 124.403 1.081 . . . . 64.24 110.263 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -59.22 -53.47 57.96 Favored 'General case' 0 CA--C 1.49 -1.328 0 O-C-N 121.844 -0.535 . . . . 72.43 111.723 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -70.58 -29.58 66.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 121.173 -0.955 . . . . 54.11 109.912 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 t -66.11 -41.12 91.01 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.602 1.192 . . . . 61.34 112.801 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.3 m -67.88 -35.21 78.12 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.106 1.15 . . . . 60.55 114.106 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.24 -28.79 68.31 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.151 1.381 . . . . 63.12 113.009 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -87.59 -19.04 28.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.215 0.45 . . . . 75.13 112.215 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -100.98 -31.29 3.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 O-C-N 121.389 -0.819 . . . . 61.45 111.248 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -70.66 154.36 8.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 N-CA-C 114.613 1.338 . . . . 74.32 114.613 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.6 m -66.55 126.93 30.46 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.072 -1.018 . . . . 71.23 112.26 165.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 111' ' ' THR . 71.1 mt -111.66 132.57 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 129.089 2.956 . . . . 61.34 103.446 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -113.26 128.18 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.633 0 N-CA-C 105.946 -1.872 . . . . 64.23 105.946 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.443 1.275 . . . . 60.04 114.443 171.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -64.84 -38.2 90.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.414 1.486 . . . . 72.13 114.532 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -128.2 96.45 31.18 Favored Pre-proline 0 N--CA 1.447 -0.587 0 CA-C-O 117.769 -1.11 . . . . 75.21 109.04 -162.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.64 -13.59 37.54 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 CA-C-N 123.859 2.414 . . . . 74.12 112.785 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.05 -44.42 69.21 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 125.083 1.353 . . . . 50.4 110.863 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -44.96 96.1 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.302 1.041 . . . . 71.23 111.255 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' ILE . 73.4 m -56.12 -46.65 79.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 117.963 0.347 . . . . 72.0 111.584 175.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.7 tpt -66.7 -47.94 70.82 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.751 -1.218 . . . . 64.13 113.572 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.53 79.33 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.738 1.615 . . . . 64.45 112.591 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.42 -41.76 98.93 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.027 0.931 . . . . 71.35 109.699 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.83 -46.48 87.72 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 121.513 -0.742 . . . . 70.13 112.385 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.02 99.7 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 124.931 1.292 . . . . 34.03 110.95 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.09 -29.1 62.69 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 119.075 -0.488 . . . . 73.12 110.812 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.8 t -69.35 -46.28 67.38 Favored 'General case' 0 C--N 1.37 1.462 0 CA-C-N 120.075 1.307 . . . . 73.24 113.363 166.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.6 t80 -54.96 -47.81 74.02 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.057 1.503 . . . . 72.21 115.057 173.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.06 -32.33 73.67 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.905 0.859 . . . . 52.01 110.997 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.63 99.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 122.679 1.228 . . . . 73.34 111.814 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.18 -46.03 71.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 114.723 1.379 . . . . 74.44 114.723 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' A' ' 126' ' ' LEU . 38.8 pt -67.45 -19.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 118.626 -2.546 . . . . 64.33 115.511 173.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.86 -40.69 96.23 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.303 1.041 . . . . 75.55 111.728 167.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -71.82 -27.8 63.16 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.862 0.865 . . . . 65.42 113.308 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -69.81 153.54 43.19 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.244 2.218 . . . . 73.43 115.332 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.77 0.35 53.14 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.636 1.174 . . . . 73.54 111.615 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -131.03 155.24 47.2 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.421 -1.696 . . . . 73.22 106.421 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.46 120.3 36.56 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 118.305 -0.855 . . . . 54.31 110.651 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.9 150.79 67.85 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.384 2.056 . . . . 73.43 109.094 157.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -87.56 166.44 14.73 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 106.392 -1.707 . . . . 62.04 106.392 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.23 -21.1 66.7 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.0 -1.688 . . . . 65.14 114.373 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.5 -40.75 95.71 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.457 -1.402 . . . . 75.11 112.116 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.02 -43.91 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 126.529 1.932 . . . . 63.02 113.066 -173.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.87 -47.49 83.13 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 119.265 0.938 . . . . 74.35 112.304 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 m -77.34 -33.33 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 O-C-N 121.433 -0.792 . . . . 71.43 109.259 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.93 99.49 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 121.615 -0.678 . . . . 43.24 113.731 -172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 16.8 mt-10 -64.28 -38.08 89.77 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.777 1.289 . . . . 73.21 113.834 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.0 mt -63.55 -50.78 68.17 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.851 1.26 . . . . 73.55 112.717 174.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 56' ' ' ALA . 19.2 mt -68.28 -41.75 80.56 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.123 -1.398 . . . . 63.01 111.287 -176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.54 81.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.657 -1.277 . . . . 75.3 113.922 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.25 19.34 8.24 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.831 -1.168 . . . . 74.22 112.74 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 70' ' ' HIS . 7.4 t . . . . . 0 C--O 1.266 1.944 0 O-C-N 119.18 -2.2 . . . . 73.33 113.613 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.518 2.925 0 N-CA-C 115.383 1.623 . . . . 50.21 115.383 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.52 -33.05 74.73 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 115.697 1.74 . . . . 72.24 115.697 -169.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -105.23 16.79 25.12 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.518 0.727 . . . . 73.4 111.734 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.72 -59.4 3.34 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 108.599 -0.889 . . . . 71.33 108.599 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 mtt -66.45 -42.29 87.85 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 113.317 0.858 . . . . 71.12 113.317 -154.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -132.77 137.99 47.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.718 -2.697 . . . . 73.25 103.718 169.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -63.72 -42.36 97.93 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 114.381 1.252 . . . . 64.42 114.381 -171.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.1 mtp -110.27 122.51 47.84 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.915 -1.142 . . . . 53.02 107.915 167.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -75.86 -39.5 56.46 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 121.717 -0.615 . . . . 72.34 112.306 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -131.96 150.73 34.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.169 0.988 . . . . 71.24 109.261 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -162.93 175.59 11.03 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 104.848 -2.279 . . . . 73.24 104.848 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.62 -40.4 87.44 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.609 2.364 . . . . 71.21 111.801 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.28 69.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 116.896 2.184 . . . . 61.11 116.896 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -61.63 -46.55 93.66 Favored Pre-proline 0 C--N 1.356 0.852 0 CA-C-O 116.501 -1.714 . . . . 63.52 114.257 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.52 -27.9 32.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 124.953 2.805 . . . . 73.13 113.324 167.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.5 ttt -69.98 -43.87 70.58 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.691 1.132 . . . . 73.22 111.558 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.38 -31.21 65.37 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.492 1.117 . . . . 73.15 112.09 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.99 98.63 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.306 1.043 . . . . 55.43 112.802 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.2 m -60.35 -44.4 95.59 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.302 -0.874 . . . . 63.3 110.308 175.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 119.735 -1.853 . . . . 74.13 112.196 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -77.29 -40.87 42.96 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 114.826 1.417 . . . . 72.44 114.826 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.9 -39.27 88.66 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 125.182 1.393 . . . . 75.02 111.273 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.9 mt -83.57 -9.29 59.02 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.96 -1.018 . . . . 75.04 110.436 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.53 48.37 12.07 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.529 2.332 . . . . 62.54 113.003 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -119.3 158.35 48.89 Favored Pre-proline 0 C--N 1.347 0.475 0 C-N-CA 124.665 1.186 . . . . 74.52 109.231 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.94 166.61 29.23 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.614 2.21 . . . . 71.34 113.465 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -62.71 -29.82 70.95 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 128.172 2.589 . . . . 65.04 109.712 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.96 65.14 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.948 2.499 . . . . 61.02 113.43 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.4 m -102.48 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 C-N-CA 118.449 -1.3 . . . . 73.03 112.054 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.8 ptm -66.08 -31.84 72.94 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 120.28 -1.512 . . . . 74.22 111.506 166.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.543 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.7 pp0? -73.39 -21.83 60.41 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 121.544 -0.723 . . . . 74.0 112.939 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -61.07 -38.03 84.76 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 121.143 -0.973 . . . . 74.24 112.652 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -60.78 -43.75 97.69 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 114.348 1.24 . . . . 73.2 114.348 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 43.8 p90 -72.04 -34.47 68.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 119.579 -1.951 . . . . 73.15 116.244 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -63.4 -20.95 65.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.871 1.668 . . . . 71.41 114.75 170.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.6 -42.0 82.36 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 127.306 2.242 . . . . 65.25 111.541 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.27 -14.03 59.6 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.079 0.952 . . . . 63.21 111.992 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.49 132.6 50.4 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.095 0.958 . . . . 62.12 112.215 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -65.64 129.71 40.71 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.225 -1.547 . . . . 72.41 111.137 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.95 82.35 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 121.356 -0.84 . . . . 52.2 114.4 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -95.72 136.67 35.83 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.354 1.577 . . . . 74.03 111.93 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -115.86 114.75 25.14 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.326 -0.99 . . . . 72.34 108.326 170.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.1 mm -96.89 126.19 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 124.749 1.22 . . . . 64.44 108.757 170.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -121.59 1.73 10.08 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.348 1.059 . . . . 72.43 111.506 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.69 132.72 34.46 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.189 -0.944 . . . . 72.45 112.232 -164.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.12 -32.79 71.34 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.037 1.735 . . . . 75.2 113.63 -173.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.3 mt-10 -63.02 -29.79 71.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 115.811 1.782 . . . . 74.14 115.811 170.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.38 87.64 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.658 0.663 . . . . 75.21 111.497 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.42 95.65 Favored Glycine 0 CA--C 1.491 -1.468 0 O-C-N 120.378 -1.451 . . . . 73.42 113.109 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.1 m -63.84 -42.06 97.69 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.295 1.038 . . . . 75.33 110.915 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 O-C-N 121.224 -0.923 . . . . 74.05 111.796 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.7 -45.92 93.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 O-C-N 120.29 -1.506 . . . . 74.44 112.992 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.15 -29.08 68.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.319 1.229 . . . . 63.23 114.319 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.3 t -64.48 -41.17 96.64 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.874 1.67 . . . . 74.45 112.715 173.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -40.03 90.99 Favored 'General case' 0 C--N 1.365 1.264 0 CA-C-N 122.348 2.34 . . . . 73.3 112.989 172.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.7 -36.46 69.68 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 125.581 1.552 . . . . 44.42 114.466 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.23 -20.32 48.55 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.58 -0.7 . . . . 74.41 112.635 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -109.46 32.01 5.33 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.174 1.79 . . . . 71.25 112.931 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.4 mt -77.36 -26.62 52.15 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 119.87 -1.769 . . . . 70.14 111.068 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -64.1 -16.53 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.095 1.358 . . . . 74.35 112.734 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.18 -26.68 56.43 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.641 1.576 . . . . 74.11 110.752 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 68' ' ' LEU . 57.7 mt -69.3 160.02 32.02 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.239 2.215 . . . . 72.34 110.336 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.49 138.5 47.06 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.546 -1.346 . . . . 61.34 109.85 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -60.59 -27.32 67.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.274 1.213 . . . . 73.12 114.274 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.41 -33.62 69.85 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.436 -1.415 . . . . 63.34 113.434 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.4 ptm -79.42 -16.84 55.51 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.861 -1.149 . . . . 73.21 112.413 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 62.95 31.49 16.15 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.813 2.845 . . . . 70.3 117.127 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.93 122.51 27.34 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.898 -1.751 . . . . 64.5 111.026 175.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -141.49 156.84 45.71 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 72.32 107.222 167.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -69.03 134.57 49.61 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.771 1.272 . . . . 63.53 112.337 -174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.49 63.73 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.078 -0.965 . . . . 64.43 114.753 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.36 18.52 15.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 125.873 1.669 . . . . 65.33 112.25 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.05 79.88 Favored 'General case' 0 CA--C 1.495 -1.17 0 C-N-CA 125.191 1.397 . . . . 75.44 113.802 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.08 -38.82 87.6 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.487 1.039 . . . . 51.01 112.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.27 -44.74 35.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 113.354 0.872 . . . . 73.32 113.354 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 54.3 t80 -61.13 -44.87 96.67 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.479 2.312 . . . . 73.03 113.594 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.5 -40.98 79.84 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.89 -1.132 . . . . 73.14 113.103 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.38 -35.88 81.86 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 114.39 1.256 . . . . 73.34 114.39 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -61.08 -28.26 68.95 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.868 -1.145 . . . . 73.52 112.344 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.85 14.96 21.64 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.883 1.673 . . . . 75.54 114.536 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.72 62.35 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 121.122 -0.986 . . . . 51.33 113.855 166.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 143.33 56.86 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.307 1.054 . . . . 74.33 111.843 165.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -81.2 171.21 15.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.711 -1.868 . . . . 70.25 108.366 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.4 -33.87 76.86 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.647 -1.283 . . . . 73.34 112.749 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 126.091 1.756 . . . . 71.32 112.586 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 mmt -71.72 -35.97 70.35 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.247 1.019 . . . . 50.34 111.941 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.0 88.36 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.319 1.448 . . . . 70.43 113.001 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -24.53 50.42 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.534 0.733 . . . . 52.43 112.116 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -60.81 -42.06 96.92 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.659 1.355 . . . . 71.22 114.659 171.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.79 -41.94 99.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.038 1.745 . . . . 72.52 112.242 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.08 -40.53 96.45 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.803 -1.186 . . . . 64.45 112.112 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.72 -42.63 97.9 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.486 -1.384 . . . . 74.43 112.645 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.38 -45.41 93.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.08 0 C-N-CA 124.557 1.143 . . . . 73.53 110.387 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -58.31 -56.21 25.07 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 122.851 0.46 . . . . 71.22 111.752 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -66.03 -32.99 74.78 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 123.732 0.813 . . . . 64.41 109.734 -173.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.71 -41.72 91.98 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.915 1.34 . . . . 61.45 112.983 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.1 m -67.53 -34.6 77.43 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 114.532 1.308 . . . . 71.1 114.532 173.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.65 -32.48 70.49 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.238 1.415 . . . . 73.53 111.128 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -85.3 -19.44 31.52 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.817 0.447 . . . . 71.34 111.935 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.3 m -100.35 -29.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 121.385 -0.822 . . . . 73.42 111.354 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -71.27 155.07 7.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 114.971 1.471 . . . . 70.4 114.971 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 90.6 m -66.66 126.8 30.09 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.071 -1.018 . . . . 52.32 112.365 164.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 111' ' ' THR . 70.8 mt -112.23 132.42 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.619 0 C-N-CA 129.045 2.938 . . . . 74.1 103.822 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.74 128.15 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 N-CA-C 105.866 -1.902 . . . . 73.23 105.866 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.93 93.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.854 1.428 . . . . 42.31 114.854 170.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.25 -39.83 94.75 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.98 1.712 . . . . 60.44 113.402 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -127.66 92.37 43.0 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 118.256 -0.878 . . . . 72.31 108.759 -161.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -69.01 -14.06 37.74 Favored 'Trans proline' 0 C--N 1.331 -0.371 0 C-N-CA 122.652 2.235 . . . . 53.45 112.535 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.82 -43.33 72.26 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.917 1.287 . . . . 73.4 110.457 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -45.22 94.75 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.183 -0.948 . . . . 71.11 110.974 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 103' ' ' ILE . 76.7 m -56.1 -46.12 79.19 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 111.71 0.263 . . . . 75.01 111.71 175.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.1 tpt -66.29 -48.23 71.08 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.809 -1.182 . . . . 72.34 113.707 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -44.75 79.7 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.807 1.643 . . . . 64.32 112.581 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.48 -41.92 99.13 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.071 0.949 . . . . 74.13 109.467 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.0 -46.8 85.93 Favored 'General case' 0 CA--C 1.494 -1.179 0 O-C-N 121.773 -0.579 . . . . 75.24 112.173 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.96 99.16 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.663 1.185 . . . . 61.21 110.978 -174.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -72.65 -28.64 62.85 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.16 -0.448 . . . . 74.1 110.87 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.8 t -69.9 -46.34 65.65 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-N 119.954 1.252 . . . . 41.31 113.383 166.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.6 t80 -55.05 -47.93 74.13 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 114.975 1.472 . . . . 62.25 114.975 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.6 ttpp -62.64 -31.76 72.69 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 124.11 0.964 . . . . 71.32 111.377 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.84 99.69 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 122.541 1.162 . . . . 62.43 112.338 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -67.6 -46.61 72.09 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.939 1.296 . . . . 75.42 114.22 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.2 pt -66.75 -22.57 29.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 119.11 -2.244 . . . . 72.45 114.258 175.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.3 -41.46 98.53 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.854 1.262 . . . . 52.13 111.891 168.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -75.49 -25.25 57.16 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.38 0.882 . . . . 74.42 113.38 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.8 mt -67.04 152.83 45.05 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 127.256 2.222 . . . . 72.34 115.319 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.87 0.35 53.29 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.859 1.264 . . . . 55.41 111.93 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.9 p-90 -129.46 154.46 46.96 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 106.663 -1.606 . . . . 73.11 106.663 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.84 42.55 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-O 118.618 -0.706 . . . . 43.54 111.396 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.36 147.44 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.381 2.054 . . . . 74.41 109.756 157.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.42 168.71 18.04 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 121.613 0.72 . . . . 53.33 109.277 165.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.71 -32.38 72.58 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.658 -1.276 . . . . 73.25 111.632 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.178 0.991 . . . . 63.33 111.989 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.15 -45.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 127.054 2.142 . . . . 74.32 111.569 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.5 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.468 -1.395 . . . . 74.12 114.053 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.84 -29.74 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.217 0 O-C-N 120.597 -1.315 . . . . 71.24 108.184 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.35 98.3 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.141 -0.811 . . . . 63.44 114.087 -174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.48 -35.47 79.24 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.517 1.658 . . . . 71.25 112.845 177.675 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.4 mt -62.11 -51.17 69.0 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 113.312 0.856 . . . . 73.44 113.312 169.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 56' ' ' ALA . 28.9 mt -68.43 -40.38 81.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.741 -1.118 . . . . 64.25 111.948 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.38 89.32 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.244 -1.535 . . . . 43.32 113.348 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -95.03 27.16 3.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.588 -0.695 . . . . 54.3 111.74 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.261 1.69 0 O-C-N 119.694 -1.879 . . . . 70.43 114.511 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.52 3.028 0 N-CA-C 115.678 1.733 . . . . 71.31 115.678 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -86.77 118.64 26.3 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.776 -1.202 . . . . 71.34 109.923 -168.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 58.63 20.37 7.63 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 130.28 3.432 . . . . 63.33 114.782 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.05 -46.21 26.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 C-N-CA 125.178 1.391 . . . . 64.33 110.096 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.5 mtp -67.84 -40.93 83.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 113.994 -1.457 . . . . 74.13 113.288 -150.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -118.81 165.15 14.38 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.41 1.084 . . . . 73.5 111.253 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.49 128.21 56.21 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.99 -1.115 . . . . 73.05 107.99 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptp -154.97 156.0 35.23 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.784 -1.191 . . . . 71.13 107.784 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -130.92 5.38 4.56 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.949 -0.469 . . . . 74.13 110.624 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -112.43 123.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 108.176 -1.046 . . . . 62.14 108.176 -170.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -62.82 -34.4 77.23 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.639 1.576 . . . . 61.42 112.798 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -75.28 -3.96 36.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 125.03 1.332 . . . . 72.13 113.654 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.16 90.77 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.998 2.221 . . . . 34.02 116.998 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -48.0 90.17 Favored Pre-proline 0 C--N 1.36 1.04 0 CA-C-N 120.316 1.416 . . . . 53.14 112.905 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.55 -28.99 25.58 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 CA-C-N 124.116 2.506 . . . . 73.11 114.746 167.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 93.1 mtp -65.4 -43.36 90.87 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.9 2.136 . . . . 64.24 114.589 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.37 -31.88 69.32 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.846 -1.159 . . . . 73.05 111.336 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.47 89.2 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 113.877 1.065 . . . . 74.41 113.877 168.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.6 m -60.08 -43.81 95.22 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.437 1.017 . . . . 73.32 110.181 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.28 -43.08 92.55 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 119.488 -2.008 . . . . 72.42 112.691 -175.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -77.45 -39.27 47.29 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.693 1.368 . . . . 74.44 114.693 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.19 -40.01 84.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 126.672 1.989 . . . . 65.0 110.496 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.9 mt -87.07 -10.19 53.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.325 -0.852 . . . . 62.45 110.214 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.07 48.02 13.73 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.449 1.9 . . . . 72.51 113.142 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.07 158.09 47.05 Favored Pre-proline 0 C--N 1.347 0.489 0 C-N-CA 124.952 1.301 . . . . 74.41 108.316 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.4 Cg_endo -73.51 165.96 31.08 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.477 2.118 . . . . 61.23 113.394 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.2 -30.56 71.17 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 128.256 2.622 . . . . 75.23 109.457 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.78 68.43 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.601 2.36 . . . . 22.24 113.738 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.6 m -99.91 -24.65 4.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.381 -1.449 . . . . 60.43 112.039 -173.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.7 ptm -65.21 -32.28 73.87 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.435 -1.416 . . . . 64.32 111.54 167.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -75.17 -22.52 58.01 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.581 -0.7 . . . . 61.55 112.391 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.03 -37.54 82.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.07 -1.019 . . . . 75.3 113.004 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CD2' HG12 ' A' ' 52' ' ' ILE . 16.5 t80 -60.41 -46.15 91.05 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 113.996 1.109 . . . . 64.21 113.996 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 40.2 p90 -71.75 -32.77 68.05 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 115.618 1.71 . . . . 71.32 115.618 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.19 -12.45 40.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 115.526 1.676 . . . . 62.21 115.526 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -59.3 -42.0 90.31 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.01 1.324 . . . . 73.51 109.941 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -68.67 -23.63 64.42 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 125.574 1.55 . . . . 64.13 112.869 -173.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -62.15 130.73 46.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.94 1.296 . . . . 71.52 112.157 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.74 136.39 54.18 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.92 -1.738 . . . . 64.41 112.545 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.15 -6.4 83.58 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 121.444 -0.785 . . . . 41.25 113.435 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.17 132.35 41.68 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.169 1.485 . . . . 64.44 111.419 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.47 116.24 28.53 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.676 -1.231 . . . . 70.01 107.676 169.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.34 122.28 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 124.101 0.96 . . . . 71.21 109.218 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p -122.87 -3.4 8.66 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.714 1.206 . . . . 60.22 112.108 -173.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -83.61 134.42 34.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.022 0.929 . . . . 73.41 112.093 -165.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.62 -33.03 70.98 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.184 1.793 . . . . 73.0 113.671 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.9 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.754 1.761 . . . . 63.02 115.754 170.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.47 89.15 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.689 0.677 . . . . 72.54 111.471 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.25 95.54 Favored Glycine 0 CA--C 1.489 -1.557 0 O-C-N 120.283 -1.511 . . . . 73.31 113.1 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.2 m -63.92 -41.74 97.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.316 1.046 . . . . 73.4 110.856 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -68.1 -42.06 84.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 121.087 -1.008 . . . . 63.12 111.919 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 33' ' ' PHE . 52.2 mt -59.95 -45.47 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 120.354 -1.466 . . . . 60.22 112.911 -174.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.4 pp -67.35 -28.34 67.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 114.688 1.366 . . . . 72.24 114.688 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' N ' HD12 ' A' ' 53' ' ' LEU . 52.6 t -61.83 -42.56 99.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.849 1.66 . . . . 63.54 112.295 173.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.05 -38.58 83.22 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-N 121.061 1.755 . . . . 61.23 113.662 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.81 -35.05 70.33 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 126.007 1.723 . . . . 71.13 115.394 -174.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.34 -11.17 55.24 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.178 0.807 . . . . 53.23 113.178 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -118.19 37.92 3.86 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.285 1.434 . . . . 74.14 111.948 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 68' ' ' LEU . 91.4 mt -82.01 -27.06 33.3 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 123.893 1.806 . . . . 63.4 110.66 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.34 -15.37 57.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 126.2 1.8 . . . . 71.03 112.803 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.99 -27.51 57.46 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.196 1.798 . . . . 73.22 111.446 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 mt -69.57 160.56 31.3 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.657 2.383 . . . . 72.45 111.076 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.9 126.05 28.56 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.041 -1.037 . . . . 74.44 111.056 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.31 -25.88 67.42 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.378 1.471 . . . . 74.42 113.583 -171.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.82 -32.26 63.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.977 2.111 . . . . 53.12 113.966 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 ptp -81.98 -8.41 59.67 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.043 1.292 . . . . 62.55 112.335 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 m120 62.49 27.9 16.5 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 128.303 2.641 . . . . 64.44 116.191 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.18 121.26 25.91 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 120.138 -1.602 . . . . 64.13 110.673 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -136.35 161.01 36.99 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 105.097 -2.186 . . . . 62.42 105.097 168.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -68.26 145.39 54.29 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.002 -1.11 . . . . 72.12 108.002 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 -48.3 4.03 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 120.446 -1.409 . . . . 71.35 115.005 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.59 50.33 1.98 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.594 1.557 . . . . 55.01 109.35 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.69 95.92 Favored 'General case' 0 CA--C 1.485 -1.549 0 C-N-CA 126.112 1.765 . . . . 61.12 111.462 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -61.15 -41.47 96.79 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.013 0.435 . . . . 72.23 112.004 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.32 -45.31 66.48 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 113.48 0.919 . . . . 55.31 113.48 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.67 -48.19 82.91 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.475 1.91 . . . . 65.33 112.98 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.15 94.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.241 1.016 . . . . 61.54 112.94 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.15 -36.26 83.02 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.134 1.161 . . . . 54.43 114.134 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.57 -27.5 68.67 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 120.655 -1.278 . . . . 73.34 112.309 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.11 13.53 24.98 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.875 1.67 . . . . 70.34 114.707 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.83 0.02 62.49 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 121.0 -1.062 . . . . 71.03 114.271 167.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 141.38 57.71 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.445 1.123 . . . . 74.52 111.193 163.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -81.51 169.98 16.46 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.467 -2.021 . . . . 74.13 108.115 169.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.61 -34.9 79.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.601 -1.312 . . . . 53.32 112.74 -173.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.627 1.971 . . . . 72.01 112.374 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -72.21 -36.13 69.08 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.175 0.99 . . . . 74.43 112.403 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.853 0.861 . . . . 61.45 113.311 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.85 -28.46 66.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.737 -1.227 . . . . 71.1 112.423 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.75 -42.0 96.54 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.964 1.468 . . . . 62.53 114.964 170.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 55.3 mt -63.09 -41.97 99.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.72 2.054 . . . . 74.33 112.387 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.87 -39.99 95.51 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.711 -1.243 . . . . 70.41 112.007 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.73 -42.93 97.83 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.527 -1.358 . . . . 51.41 112.706 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.87 -45.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.072 0 C-N-CA 124.423 1.089 . . . . 73.41 110.329 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' A' ' 139' ' ' LEU . 62.1 tttt -59.09 -53.8 54.29 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.795 -0.566 . . . . 75.33 111.672 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.1 -29.14 64.91 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.2 -0.938 . . . . 70.34 110.013 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -43.71 86.69 Favored 'General case' 0 C--N 1.361 1.091 0 CA-C-O 122.615 1.198 . . . . 74.04 111.814 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 100' ' ' VAL . 10.3 m -65.56 -32.1 73.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 114.222 1.193 . . . . 60.14 114.222 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.08 -25.68 67.12 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.067 1.347 . . . . 75.21 112.394 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -75.82 -40.35 55.08 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.075 1.75 . . . . 73.2 109.895 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.8 m -95.48 -29.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 C-N-CA 123.387 0.675 . . . . 74.2 111.398 -164.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.03 155.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.629 1.204 . . . . 65.22 113.96 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.4 m -66.67 122.78 18.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.926 -1.109 . . . . 72.04 111.673 164.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.1 mt -104.58 131.79 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.592 0 C-N-CA 128.558 2.743 . . . . 72.42 103.602 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -113.24 128.11 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 106.123 -1.806 . . . . 75.41 106.123 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.65 91.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.438 1.273 . . . . 73.12 114.438 171.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.88 -39.89 95.24 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.009 1.724 . . . . 51.22 113.563 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -129.89 96.13 26.91 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.827 -1.082 . . . . 64.21 109.077 -160.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.47 -13.69 38.07 Favored 'Trans proline' 0 C--N 1.329 -0.499 0 CA-C-N 123.768 2.381 . . . . 64.24 112.779 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.41 -44.57 71.13 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.144 1.378 . . . . 73.54 110.919 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -45.44 94.22 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.352 1.061 . . . . 74.43 111.667 172.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -56.29 -46.37 79.8 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.196 0.453 . . . . 65.55 111.429 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 tpt -66.52 -48.98 68.05 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.662 -1.274 . . . . 70.21 114.0 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -45.05 80.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.08 1.352 . . . . 71.53 112.588 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.45 -41.34 98.67 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.068 0.947 . . . . 73.54 109.6 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.85 -46.79 86.25 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 121.321 -0.862 . . . . 64.35 112.595 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.26 97.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 123.949 0.9 . . . . 65.34 110.87 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.0 ptm -69.85 -29.71 67.02 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 118.852 -0.594 . . . . 70.22 112.071 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 46.7 t -68.61 -46.97 67.9 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 120.521 1.509 . . . . 74.44 113.754 166.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.92 -48.58 75.43 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 115.239 1.57 . . . . 54.4 115.239 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -67.42 -22.85 65.5 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.375 -0.828 . . . . 64.43 111.988 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -65.18 -43.52 91.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.347 1.07 . . . . 63.32 112.575 176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -67.37 -45.37 76.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.894 1.278 . . . . 61.32 114.253 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.849 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.3 pt -66.53 -22.14 29.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 119.529 -1.982 . . . . 73.12 114.451 174.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.477 1.111 . . . . 63.11 111.828 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -71.05 -27.49 63.69 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.263 1.025 . . . . 72.23 113.239 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.1 mt -68.57 153.28 44.06 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.287 2.235 . . . . 62.33 115.111 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.13 0.9 52.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.591 1.156 . . . . 72.34 111.775 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -130.11 155.33 46.37 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.096 -1.446 . . . . 74.1 107.096 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.15 118.94 41.48 Favored Pre-proline 0 N--CA 1.444 -0.771 0 CA-C-O 118.602 -0.713 . . . . 63.23 111.499 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.36 154.01 65.7 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.504 2.136 . . . . 70.04 108.951 155.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -85.46 169.03 14.03 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 106.429 -1.693 . . . . 72.13 106.429 173.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.51 -33.25 73.5 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.265 -1.522 . . . . 74.21 112.285 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.59 -41.46 94.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 123.767 0.827 . . . . 64.01 112.256 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -44.72 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 C-N-CA 126.467 1.907 . . . . 75.21 112.982 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.48 86.68 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.362 0.875 . . . . 62.22 113.362 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.37 -29.14 14.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 120.59 -1.318 . . . . 75.13 107.681 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.35 -41.48 98.13 Favored Glycine 0 C--N 1.357 1.731 0 O-C-N 121.329 -0.857 . . . . 75.41 114.238 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 13.9 mt-10 -64.19 -37.47 87.6 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.844 1.322 . . . . 55.22 113.03 174.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 119' ' ' PHE . 58.6 mt -63.95 -51.92 62.13 Favored 'General case' 0 CA--C 1.477 -1.843 0 C-N-CA 124.892 1.277 . . . . 75.13 113.056 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 56' ' ' ALA . 51.9 mt -69.17 -39.02 79.0 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.817 -1.083 . . . . 75.33 112.063 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.39 98.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 119.963 -1.711 . . . . 53.33 113.319 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -91.91 34.58 1.0 Allowed 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.802 -1.186 . . . . 71.13 111.853 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.262 1.731 0 O-C-N 119.774 -1.829 . . . . 60.54 114.377 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 N--CA 1.516 2.853 0 N-CA-C 117.397 2.369 . . . . 72.5 117.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -72.85 -44.02 61.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.63 1.172 . . . . 74.13 112.047 -170.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.52 -6.59 49.32 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 114.679 1.363 . . . . 75.02 114.679 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.5 -46.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 125.745 1.618 . . . . 74.11 110.706 169.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.8 mtt -68.34 -42.71 78.87 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.624 0.972 . . . . 61.31 113.624 -147.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -105.19 119.34 38.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 107.234 -1.395 . . . . 73.42 107.234 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -148.46 -29.4 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 113.544 0.942 . . . . 75.5 113.544 -175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.9 mtm -79.74 150.72 30.72 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.225 -1.547 . . . . 54.14 112.212 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p 75.03 -9.58 1.35 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.157 2.583 . . . . 73.25 116.56 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.05 130.05 34.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 121.083 -1.011 . . . . 70.45 112.539 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -149.71 164.97 33.8 Favored 'General case' 0 C--N 1.353 0.717 0 O-C-N 120.797 -1.19 . . . . 75.31 109.278 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.78 -33.6 73.22 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.348 1.859 . . . . 74.23 110.245 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.01 68.1 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 116.044 1.868 . . . . 54.13 116.044 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -65.52 -46.66 69.04 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-O 116.628 -1.654 . . . . 71.34 114.109 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.33 -28.15 33.47 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 CA-C-N 124.894 2.784 . . . . 62.53 113.341 164.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ttt -69.4 -43.06 74.21 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.973 1.26 . . . . 75.11 112.397 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.46 -31.02 66.69 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.331 1.052 . . . . 75.24 112.04 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.75 98.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.01 0.924 . . . . 70.31 111.738 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -74.19 0.02 15.36 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.328 1.451 . . . . 72.23 113.875 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -87.71 -48.66 7.69 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.238 -2.164 . . . . 74.0 109.733 163.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.49 -37.03 37.72 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.202 -1.561 . . . . 74.13 114.456 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.54 -38.65 81.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 127.01 2.124 . . . . 74.32 110.825 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.51 -9.53 54.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 113.991 -1.459 . . . . 74.03 109.277 -173.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.55 46.63 14.55 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.662 1.985 . . . . 71.21 113.081 -176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.86 157.43 48.29 Favored Pre-proline 0 C--N 1.348 0.539 0 C-N-CA 124.541 1.137 . . . . 62.42 108.869 -175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.8 Cg_endo -75.31 167.09 27.49 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.539 2.159 . . . . 54.11 113.217 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.59 -25.65 68.06 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.676 2.39 . . . . 61.03 110.003 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.15 68.86 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.651 1.98 . . . . 65.12 113.776 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.6 m -102.93 -23.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 120.54 -1.35 . . . . 52.14 112.051 -172.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -67.91 -31.68 71.63 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.115 -1.616 . . . . 64.43 110.574 167.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.541 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.64 -21.68 61.05 Favored 'General case' 0 C--N 1.361 1.073 0 O-C-N 121.431 -0.793 . . . . 54.05 112.627 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.11 -37.57 83.23 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.124 -0.985 . . . . 72.14 112.78 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 52' ' ' ILE . 19.6 t80 -60.46 -43.88 96.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.276 1.213 . . . . 73.42 114.276 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.3 p90 -72.33 -33.96 67.72 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 116.476 2.028 . . . . 72.31 116.476 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -63.53 -21.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.275 1.83 . . . . 72.22 114.629 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.9 -40.33 76.07 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 127.355 2.262 . . . . 75.44 111.464 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -79.42 -10.05 59.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.764 0.826 . . . . 75.12 111.911 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -64.49 125.9 26.12 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 121.104 -0.997 . . . . 74.35 111.91 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -69.9 132.72 46.42 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.158 -1.589 . . . . 74.33 111.254 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -9.81 71.37 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 121.82 -0.55 . . . . 34.44 113.438 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -98.15 138.14 35.88 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 119.088 1.444 . . . . 64.43 112.293 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -112.34 124.26 52.08 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 122.84 1.305 . . . . 74.43 107.541 166.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -104.17 125.2 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 125.22 1.408 . . . . 72.11 107.35 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -123.95 0.24 8.53 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.461 1.104 . . . . 74.23 111.259 -172.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -87.69 133.33 33.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.904 0.882 . . . . 63.44 112.13 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.63 -31.45 70.64 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.077 1.751 . . . . 71.33 113.834 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 12.5 mt-10 -62.2 -31.34 71.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 115.399 1.629 . . . . 72.13 115.399 169.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.709 0.766 . . . . 63.45 110.804 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.27 99.35 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 120.975 -1.078 . . . . 74.2 114.04 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.81 -41.32 97.92 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.799 1.239 . . . . 50.32 111.382 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.9 -41.51 87.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 121.11 -0.993 . . . . 74.25 112.315 171.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.1 mt -59.75 -46.19 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 O-C-N 120.669 -1.27 . . . . 44.3 112.889 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -68.27 -28.53 67.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.423 1.268 . . . . 65.3 114.423 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.52 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.6 t -63.33 -42.87 99.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.889 1.676 . . . . 64.24 112.387 174.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.09 -37.11 81.54 Favored 'General case' 0 C--N 1.369 1.417 0 CA-C-N 121.088 1.767 . . . . 74.55 113.814 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.18 -36.05 72.48 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 115.818 1.784 . . . . 52.14 115.818 -174.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -70.69 -42.1 71.12 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 113.356 0.873 . . . . 65.15 113.356 165.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.96 46.59 1.37 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.41 -1.431 . . . . 72.23 113.851 -169.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.79 -12.59 30.84 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 123.54 1.638 . . . . 74.53 109.394 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.14 -28.18 69.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 127.434 2.294 . . . . 74.12 110.459 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -23.76 58.71 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.947 2.499 . . . . 52.14 111.486 -177.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD12 HD13 ' A' ' 68' ' ' LEU . 64.6 mt -76.18 160.6 29.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.855 2.462 . . . . 74.43 110.826 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.76 146.98 32.04 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.429 -1.419 . . . . 73.4 111.052 -172.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.64 -30.28 70.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.758 1.392 . . . . 75.32 114.758 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -58.59 -35.45 72.43 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.106 -1.621 . . . . 75.02 113.506 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.34 -17.63 58.1 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.948 -1.095 . . . . 72.04 112.905 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 64.42 27.07 13.58 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.803 2.841 . . . . 73.1 116.569 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.37 120.46 24.99 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.865 -1.772 . . . . 72.24 110.34 178.541 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.13 147.22 38.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.223 -1.769 . . . . 72.03 106.223 168.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.3 t60 -65.78 129.68 40.63 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.279 1.032 . . . . 74.24 111.125 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.59 -11.23 72.21 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 124.146 0.879 . . . . 71.33 114.96 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.69 25.42 9.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.805 1.302 . . . . 75.53 110.651 -172.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.11 83.06 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 124.758 1.223 . . . . 74.14 114.276 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.6 mtm -61.05 -39.02 88.26 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.761 1.164 . . . . 72.12 112.42 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.84 -45.31 44.05 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 112.985 0.735 . . . . 72.33 112.985 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 69.7 t80 -61.52 -45.1 95.62 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.352 1.861 . . . . 74.22 113.025 176.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.93 -41.78 83.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 121.207 -0.933 . . . . 40.04 112.697 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.1 mtm -63.53 -37.46 87.39 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 114.501 1.297 . . . . 72.51 114.501 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -61.5 -27.1 68.34 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.806 -1.184 . . . . 63.14 112.49 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.25 14.66 21.56 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.591 1.556 . . . . 72.33 114.6 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.35 -2.56 61.09 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 121.106 -0.996 . . . . 65.14 113.844 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 143.52 56.02 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.465 -1.021 . . . . 71.04 111.663 165.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -80.97 170.99 15.55 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 119.508 -1.995 . . . . 62.03 108.418 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.19 -34.63 78.52 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.588 -1.32 . . . . 71.1 112.683 -172.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.5 80.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.136 1.774 . . . . 71.31 112.59 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.49 -36.37 73.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.954 -1.092 . . . . 60.2 111.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.44 88.46 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.179 1.392 . . . . 73.1 112.818 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -75.49 -25.66 57.51 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.717 0.807 . . . . 75.23 111.915 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -42.05 97.05 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.81 1.411 . . . . 70.41 114.81 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.77 -41.83 99.41 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 121.239 1.836 . . . . 64.44 112.333 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.094 -1.004 . . . . 70.25 111.822 172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.74 -42.66 97.82 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.458 -1.401 . . . . 53.31 112.57 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.42 -45.14 93.8 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 124.458 1.103 . . . . 74.13 110.17 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.89 -56.41 22.62 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 121.862 -0.524 . . . . 61.03 112.046 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -68.32 -29.16 67.85 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.46 -0.775 . . . . 73.31 110.91 -174.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.0 t -66.74 -40.07 88.17 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 122.533 1.158 . . . . 52.35 113.337 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.467 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -69.27 -34.64 75.06 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.22 1.408 . . . . 74.42 114.424 172.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.35 -32.11 70.95 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.065 -1.022 . . . . 74.4 111.601 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -83.33 -20.4 34.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.537 0.735 . . . . 74.15 111.721 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.16 -29.51 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 121.495 -0.753 . . . . 73.44 111.169 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 157.18 6.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 114.692 1.367 . . . . 73.45 114.692 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 m -70.53 127.74 33.74 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.975 -1.078 . . . . 73.03 112.22 164.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 HG12 HG23 ' A' ' 111' ' ' THR . 77.3 mt -110.98 132.48 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.687 0 C-N-CA 129.847 3.259 . . . . 64.34 103.201 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.0 t -115.6 128.17 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 106.153 -1.795 . . . . 75.13 106.153 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.75 96.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 114.727 1.38 . . . . 73.01 114.727 173.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.38 -38.78 92.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.225 1.81 . . . . 75.22 112.978 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.63 89.93 42.13 Favored Pre-proline 0 C--N 1.349 0.554 0 CA-C-O 118.699 -0.667 . . . . 61.32 109.98 -158.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -69.35 -13.16 35.23 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.742 2.295 . . . . 75.32 112.73 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.65 -44.36 78.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.994 1.318 . . . . 63.52 110.482 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.14 95.45 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.156 0.982 . . . . 53.14 111.822 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' ILE . 77.2 m -56.58 -46.45 80.79 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 112.935 0.716 . . . . 72.11 112.935 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -46.69 74.12 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 117.392 2.367 . . . . 74.43 117.392 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -44.61 88.0 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.238 -1.539 . . . . 74.01 112.784 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.97 -41.7 99.62 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.902 0.881 . . . . 71.11 109.695 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.42 -46.52 85.98 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 121.603 -0.685 . . . . 73.21 112.061 175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.825 1.25 . . . . 61.43 110.837 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -72.64 -27.38 62.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.309 -0.377 . . . . 72.44 110.96 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.86 -46.75 56.85 Favored 'General case' 0 C--N 1.369 1.45 0 O-C-N 120.73 -1.231 . . . . 75.34 113.466 166.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.1 t80 -55.64 -47.39 76.72 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 114.879 1.436 . . . . 61.45 114.879 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -62.46 -33.15 74.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 121.979 0.895 . . . . 71.53 110.856 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 122.478 1.132 . . . . 64.53 111.703 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -67.64 -46.23 73.03 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 115.279 1.585 . . . . 75.52 115.279 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.1 pt -67.48 -21.2 27.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 118.596 -2.565 . . . . 55.41 115.453 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -61.78 -41.23 97.46 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.751 1.22 . . . . 75.42 111.612 168.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -76.02 -24.42 55.24 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 121.742 0.782 . . . . 32.32 113.103 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.86 154.05 42.71 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.419 2.288 . . . . 64.45 115.508 -172.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -84.05 0.17 49.3 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.994 1.318 . . . . 61.35 111.836 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -134.79 155.98 49.66 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.237 -1.764 . . . . 72.15 106.237 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.39 37.75 Favored Pre-proline 0 N--CA 1.444 -0.767 0 CA-C-O 118.504 -0.76 . . . . 71.13 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.58 151.79 70.12 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.623 2.215 . . . . 74.51 109.532 157.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.3 p -84.46 168.86 15.1 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.968 -1.493 . . . . 61.42 106.968 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.52 -29.34 70.49 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.277 -1.515 . . . . 74.21 113.09 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.32 -38.4 83.59 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.988 0.915 . . . . 72.32 111.858 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -45.38 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 C-N-CA 127.474 2.309 . . . . 74.3 111.144 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.58 84.72 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.416 -1.427 . . . . 72.43 113.966 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.35 -30.19 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 C-N-CA 118.298 -1.361 . . . . 74.42 109.101 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -43.04 99.18 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-O 119.273 -0.737 . . . . 74.12 114.219 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.92 -35.35 79.79 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.446 1.623 . . . . 74.43 113.038 178.017 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.2 mt -63.39 -51.11 67.18 Favored 'General case' 0 CA--C 1.474 -1.952 0 C-N-CA 124.721 1.209 . . . . 74.44 112.434 172.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.3 mt -70.03 -40.9 74.91 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.281 -1.327 . . . . 74.04 111.706 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.82 92.18 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 120.267 -1.521 . . . . 75.12 114.094 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.92 29.62 3.0 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.835 -1.166 . . . . 73.24 111.496 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.1 t . . . . . 0 C--O 1.265 1.88 0 O-C-N 119.761 -1.837 . . . . 62.33 113.474 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.518 2.967 0 N-CA-C 115.162 1.541 . . . . 73.2 115.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.69 74.43 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.272 1.582 . . . . 74.41 115.272 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -95.43 8.11 44.21 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.307 -0.871 . . . . 75.43 112.759 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.4 t -104.88 -57.52 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 105.564 -2.013 . . . . 73.41 105.564 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 75.9 mtm 68.85 -40.43 0.44 Allowed 'General case' 0 N--CA 1.434 -1.229 1 C-N-CA 133.195 4.598 . . . . 60.42 112.68 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -66.2 157.08 32.3 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 116.03 1.863 . . . . 64.14 116.03 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.91 -40.67 87.76 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.199 1.799 . . . . 73.4 114.873 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -143.98 166.11 25.88 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.526 -0.734 . . . . 71.11 110.881 -166.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.2 t -130.16 155.97 45.34 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 105.919 -1.882 . . . . 65.32 105.919 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -111.02 129.86 65.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.139 0.976 . . . . 61.02 108.475 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -77.63 164.26 25.49 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 114.297 1.221 . . . . 65.45 114.297 -171.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.67 -39.0 76.09 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.343 2.657 . . . . 62.14 112.567 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.55 69.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 117.091 2.256 . . . . 74.1 117.091 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.05 -45.81 91.46 Favored Pre-proline 0 C--N 1.356 0.859 0 CA-C-O 116.241 -1.837 . . . . 74.13 114.564 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.91 -27.35 37.0 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 125.272 2.918 . . . . 74.53 112.881 167.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ttt -72.16 -42.77 65.55 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.596 1.089 . . . . 73.43 111.741 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.41 -32.26 69.81 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.179 0.992 . . . . 70.35 112.07 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.77 96.27 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 121.171 -0.956 . . . . 70.33 111.956 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.57 -2.27 16.42 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.907 1.283 . . . . 71.04 114.455 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.16 -49.11 7.99 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.426 -2.046 . . . . 74.43 110.378 163.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.67 -36.92 36.99 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.206 -1.559 . . . . 75.1 114.65 -173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.43 -37.94 79.39 Favored 'General case' 0 CA--C 1.495 -1.148 0 C-N-CA 127.59 2.356 . . . . 53.33 110.351 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.64 -9.57 49.12 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.206 -1.361 . . . . 60.33 109.376 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.15 46.51 15.89 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.802 2.041 . . . . 64.41 113.268 -175.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.94 156.89 49.63 Favored Pre-proline 0 C--N 1.348 0.525 0 C-N-CA 124.232 1.013 . . . . 74.13 108.912 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -75.27 166.5 28.75 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.49 2.127 . . . . 64.21 113.719 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.75 -25.69 68.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.723 2.409 . . . . 74.41 110.343 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.22 69.18 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 126.333 1.853 . . . . 74.42 114.418 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG11 ' CD ' ' A' ' 47' ' ' GLU . 4.6 m -103.15 -26.52 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 118.741 -1.184 . . . . 61.44 110.935 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -64.91 -28.3 69.44 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 118.551 -2.593 . . . . 74.13 111.239 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -74.18 -18.62 60.74 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-O 122.004 0.907 . . . . 53.31 113.197 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -72.6 -30.05 64.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 121.365 -0.834 . . . . 73.1 110.842 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.405 ' CD2' HG12 ' A' ' 52' ' ' ILE . 14.6 t80 -63.32 -45.48 91.13 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 114.015 1.117 . . . . 74.22 114.015 172.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.4 p90 -71.47 -34.27 70.04 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.127 -1.608 . . . . 75.01 115.137 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.48 -17.25 64.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.201 1.4 . . . . 65.13 114.442 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -58.13 -41.6 84.01 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.885 2.074 . . . . 71.42 110.973 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -81.71 -8.82 59.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.78 0.832 . . . . 72.53 111.357 -171.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -64.51 131.21 46.44 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 123.773 0.829 . . . . 63.43 111.459 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.87 135.42 51.06 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.715 -1.866 . . . . 70.31 112.874 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -12.84 66.91 Favored Glycine 0 C--N 1.352 1.457 0 O-C-N 121.579 -0.7 . . . . 74.41 112.996 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -88.02 134.85 33.65 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.856 1.328 . . . . 75.21 112.173 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.64 119.94 38.46 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 123.27 1.509 . . . . 64.13 108.963 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.1 123.67 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 125.082 1.353 . . . . 74.21 107.881 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -126.71 5.28 6.72 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.453 1.101 . . . . 74.43 111.375 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -87.05 134.47 33.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.384 1.073 . . . . 74.34 111.86 -167.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -59.76 -32.7 70.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.505 1.922 . . . . 63.01 113.533 -173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.8 mt-10 -63.01 -30.13 71.36 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 116.502 2.038 . . . . 72.05 116.502 169.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.84 89.23 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 118.612 0.642 . . . . 73.22 111.359 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.19 97.13 Favored Glycine 0 CA--C 1.488 -1.606 0 O-C-N 120.513 -1.367 . . . . 72.13 112.949 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.317 1.047 . . . . 74.34 110.977 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.31 -42.44 84.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 O-C-N 121.278 -0.888 . . . . 74.02 111.95 172.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.8 mt -60.12 -45.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.76 -1.213 . . . . 72.34 112.418 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.89 -28.47 67.54 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.917 1.451 . . . . 72.13 114.917 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.9 t -64.44 -41.17 96.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.135 1.774 . . . . 55.0 112.695 173.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.61 -38.75 85.74 Favored 'General case' 0 C--N 1.367 1.338 0 CA-C-N 122.405 2.366 . . . . 74.25 112.782 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.35 -36.87 66.77 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 126.051 1.74 . . . . 74.33 114.404 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.81 -18.43 44.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.234 -0.916 . . . . 71.13 112.144 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.67 33.52 4.93 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.037 1.735 . . . . 70.01 112.707 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.5 mt -78.75 -23.8 45.17 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 119.889 -1.757 . . . . 75.41 110.692 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.96 -25.56 67.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 126.766 2.026 . . . . 71.25 111.359 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -28.97 65.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.405 2.282 . . . . 51.53 111.55 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD12 HD13 ' A' ' 68' ' ' LEU . 66.1 mt -68.86 161.56 28.37 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.961 2.104 . . . . 71.3 112.833 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -63.75 131.43 47.85 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.087 -1.008 . . . . 72.21 112.64 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.91 -27.28 69.26 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.623 -1.298 . . . . 61.45 113.306 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.22 -35.05 69.2 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.711 -1.243 . . . . 75.34 113.396 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.19 -12.72 59.11 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.618 -1.301 . . . . 63.32 112.708 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 62.08 27.02 16.31 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.976 2.51 . . . . 75.13 116.45 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.13 122.53 27.47 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.01 -1.681 . . . . 74.05 111.453 178.231 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.58 144.76 36.02 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.59 -2.004 . . . . 74.34 105.59 165.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.96 138.64 54.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.692 1.711 . . . . 75.41 115.152 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.95 -12.31 69.46 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 112.594 -2.094 . . . . 61.1 114.725 -172.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 31.16 6.36 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.861 1.331 . . . . 64.01 110.985 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.11 88.72 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.341 1.237 . . . . 71.34 114.341 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.0 mtp -61.7 -40.42 94.96 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 119.606 1.094 . . . . 72.41 112.768 -175.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.23 -44.87 67.69 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 113.038 0.755 . . . . 71.24 113.038 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.54 -48.14 83.1 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.789 2.035 . . . . 74.3 113.047 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.05 94.18 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.074 -1.016 . . . . 71.42 113.331 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.9 -35.15 79.71 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.908 1.077 . . . . 73.52 113.908 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.21 -28.19 68.97 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.76 -1.213 . . . . 55.14 112.631 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.81 14.15 22.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 125.915 1.686 . . . . 74.15 114.529 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.89 -1.54 63.41 Favored Glycine 0 C--N 1.35 1.357 0 O-C-N 121.128 -0.982 . . . . 50.31 114.075 167.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.19 140.69 58.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 118.472 1.136 . . . . 74.12 111.581 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -80.99 169.82 17.03 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 119.525 -1.984 . . . . 74.44 108.169 168.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -34.81 79.21 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.605 -1.309 . . . . 63.23 112.62 -172.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.7 86.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.362 1.865 . . . . 63.25 112.538 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -68.07 -39.25 83.0 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.482 1.113 . . . . 75.54 112.341 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.21 87.41 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 123.651 0.78 . . . . 72.23 112.985 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.54 -28.4 65.97 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.869 -1.144 . . . . 74.4 111.976 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.05 -43.0 99.54 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 115.314 1.598 . . . . 71.34 115.314 170.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.2 mt -63.35 -41.62 98.86 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 121.622 2.01 . . . . 73.42 112.181 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.99 -39.97 95.33 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.756 -1.215 . . . . 74.02 112.006 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.09 -42.42 96.95 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.35 -1.468 . . . . 50.12 112.549 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.66 -45.28 94.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 124.513 1.125 . . . . 72.12 109.925 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -59.76 -53.81 53.66 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 121.787 -0.57 . . . . 72.14 111.61 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.01 -24.88 59.63 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 120.738 -1.226 . . . . 71.52 111.476 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -64.92 -43.86 91.43 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-O 122.715 1.245 . . . . 73.4 111.714 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.477 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.96 -32.25 73.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.669 1.359 . . . . 54.04 114.669 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.49 -26.55 67.98 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 125.174 1.389 . . . . 74.32 112.312 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -77.37 -42.84 34.91 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.08 1.752 . . . . 63.14 110.164 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' CYS . 21.1 m -83.9 -34.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.367 0.667 . . . . 72.42 112.391 -171.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.43 155.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 122.726 1.25 . . . . 72.32 114.103 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -67.14 123.57 20.66 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.882 -1.136 . . . . 72.1 111.718 164.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -104.39 132.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 C-N-CA 128.822 2.849 . . . . 73.32 103.767 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -112.68 128.21 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 N-CA-C 106.103 -1.814 . . . . 51.25 106.103 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.3 89.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.245 1.202 . . . . 73.51 114.245 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -64.25 -38.08 89.78 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.778 1.631 . . . . 61.1 114.583 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -130.56 98.89 19.42 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-O 117.58 -1.2 . . . . 63.14 109.15 -162.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.77 -13.97 38.1 Favored 'Trans proline' 0 C--N 1.326 -0.629 0 CA-C-N 124.048 2.482 . . . . 71.12 112.628 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.2 -45.13 67.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.102 1.361 . . . . 54.34 110.909 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -45.09 96.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.922 -1.111 . . . . 72.5 112.007 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -56.72 -46.38 81.32 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.444 0.565 . . . . 50.33 111.733 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.82 -48.77 70.58 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.712 -1.242 . . . . 74.13 113.82 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -45.45 78.03 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.817 1.247 . . . . 70.2 112.847 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.36 -41.11 98.34 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.027 0.931 . . . . 64.24 109.375 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.02 -46.8 85.88 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.472 -0.767 . . . . 53.44 112.564 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.26 99.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 124.381 1.072 . . . . 70.24 111.072 -173.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -71.09 -29.48 65.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.025 -0.534 . . . . 73.35 111.674 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.4 t -69.58 -46.67 65.81 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-N 120.383 1.447 . . . . 64.31 113.7 166.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.2 t80 -55.63 -48.07 75.56 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.029 1.492 . . . . 72.44 115.029 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.2 tptt -62.01 -31.8 72.23 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.628 1.171 . . . . 60.13 112.344 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.63 98.43 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.249 1.023 . . . . 75.01 112.189 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.19 -46.27 71.12 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.17 1.388 . . . . 75.42 114.259 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 126' ' ' LEU . 15.3 pt -66.17 -22.57 30.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.07 -2.269 . . . . 74.12 114.39 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.58 -37.24 85.41 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.546 1.138 . . . . 73.15 111.752 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.28 -26.21 58.59 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.986 0.914 . . . . 74.05 112.664 -174.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.4 mt -68.9 151.23 46.83 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.478 2.311 . . . . 75.42 115.483 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -84.59 0.03 51.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.748 -1.569 . . . . 53.13 112.563 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -131.02 154.99 47.6 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.47 -1.678 . . . . 72.14 106.47 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.64 117.68 42.16 Favored Pre-proline 0 N--CA 1.443 -0.806 0 CA-C-O 118.508 -0.758 . . . . 74.53 111.333 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.07 146.85 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.26 1.973 . . . . 63.5 108.901 155.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.5 t -79.69 165.44 22.84 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.822 -0.807 . . . . 73.31 108.822 164.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -30.83 71.48 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.815 -1.178 . . . . 73.54 112.31 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.82 -42.08 92.7 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 112.673 0.62 . . . . 75.11 112.673 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -84.42 -44.69 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 126.482 1.913 . . . . 73.34 114.163 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.342 -0.849 . . . . 73.34 113.109 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.14 -28.58 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.139 0 O-C-N 120.925 -1.109 . . . . 70.12 108.346 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.8 99.78 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.934 -0.925 . . . . 74.44 113.878 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.98 -36.95 86.07 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.417 1.609 . . . . 72.14 113.242 174.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 119' ' ' PHE . 59.5 mt -62.52 -51.56 66.92 Favored 'General case' 0 CA--C 1.481 -1.689 0 N-CA-C 113.369 0.877 . . . . 74.43 113.369 171.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 56' ' ' ALA . 46.6 mt -69.58 -40.06 76.94 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 114.862 -1.063 . . . . 70.32 111.439 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.28 94.22 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.126 -1.609 . . . . 73.0 113.466 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -95.93 32.99 1.77 Allowed 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.004 -1.06 . . . . 70.02 111.363 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.025 -1.672 . . . . 63.25 114.506 179.776 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 115.312 1.597 . . . . 71.34 115.312 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -69.29 -35.73 76.31 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.93 1.292 . . . . 73.22 112.782 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -75.09 -9.23 58.34 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 122.853 1.311 . . . . 73.13 114.47 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.86 -45.79 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 113.346 -1.752 . . . . 62.54 110.558 170.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 68.4 mtt -67.29 -40.83 86.12 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 114.818 1.414 . . . . 75.22 114.818 -148.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.23 129.4 35.87 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.683 0.793 . . . . 73.31 112.384 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -62.97 -43.78 97.84 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.24 1.416 . . . . 74.52 114.687 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mmt -94.05 123.79 37.64 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.242 -0.911 . . . . 64.14 109.309 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.2 t -150.63 177.78 9.72 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.959 -1.497 . . . . 62.42 106.959 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 tt -120.46 139.27 48.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 124.595 1.158 . . . . 73.32 108.549 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -64.23 -19.3 65.27 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 125.132 1.373 . . . . 73.45 113.803 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.91 -31.31 69.71 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.161 2.184 . . . . 51.52 111.12 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.0 69.52 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 116.623 2.083 . . . . 62.32 116.623 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -64.58 -46.82 77.2 Favored Pre-proline 0 C--N 1.353 0.718 0 O-C-N 120.536 -1.353 . . . . 72.04 113.199 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.38 -26.93 40.75 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 CA-C-N 124.077 2.492 . . . . 73.02 114.747 166.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.2 mtp -64.77 -43.67 92.49 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.079 1.763 . . . . 72.32 113.567 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.35 -31.51 67.45 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 121.035 -1.04 . . . . 75.3 111.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.08 94.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 113.329 0.863 . . . . 73.13 113.329 168.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.3 m -60.21 -44.19 95.35 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.334 0.97 . . . . 73.22 110.345 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -59.3 -42.94 92.51 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 119.638 -1.914 . . . . 72.13 112.627 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.22 -39.74 47.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.549 1.314 . . . . 60.51 114.549 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.59 -39.7 85.02 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 127.589 2.356 . . . . 75.21 110.209 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -87.7 -6.44 58.21 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.104 -0.953 . . . . 61.34 110.231 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.49 46.22 21.03 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.309 2.244 . . . . 74.54 113.634 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.01 158.2 44.69 Favored Pre-proline 0 C--N 1.349 0.583 0 C-N-CA 124.55 1.14 . . . . 75.04 108.95 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.487 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -74.5 167.11 27.89 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.536 2.157 . . . . 73.31 113.418 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.34 -33.42 73.6 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.063 2.545 . . . . 71.25 109.415 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.41 64.58 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.84 2.456 . . . . 75.52 113.784 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.9 m -100.0 -26.47 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 120.631 -1.293 . . . . 72.41 111.989 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.2 ptm -65.36 -34.19 77.73 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.551 -1.343 . . . . 73.22 112.282 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -71.49 -22.64 61.77 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.256 1.027 . . . . 44.44 111.88 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.21 -32.81 72.33 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.189 0.996 . . . . 63.35 110.782 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' HG12 ' A' ' 52' ' ' ILE . 10.6 t80 -61.19 -47.36 86.47 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 113.703 1.001 . . . . 74.34 113.703 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 44.6 p90 -71.68 -30.43 65.68 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 120.068 -1.645 . . . . 75.5 114.704 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.87 -5.01 14.58 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 114.494 1.294 . . . . 75.44 114.494 171.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.69 -41.85 91.64 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 124.827 1.251 . . . . 73.0 109.468 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -79.44 -11.07 59.92 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.734 0.814 . . . . 74.32 111.581 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -63.45 130.78 45.87 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.68 1.192 . . . . 74.54 111.761 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.18 134.55 51.94 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.923 -1.736 . . . . 73.21 113.039 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.54 -12.92 65.39 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.654 -0.654 . . . . 73.43 113.069 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -88.37 133.62 34.04 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.083 1.442 . . . . 72.12 112.046 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -114.17 123.7 50.26 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.758 1.266 . . . . 71.35 107.793 164.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.27 123.01 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 C-N-CA 123.949 0.9 . . . . 72.33 108.615 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -124.03 1.23 8.59 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.133 0.973 . . . . 55.44 111.83 -170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -87.99 134.54 33.71 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.061 0.944 . . . . 72.43 112.394 -168.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -60.13 -32.81 71.36 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.274 1.829 . . . . 75.22 113.677 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.8 mt-10 -62.63 -31.69 72.59 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.71 1.744 . . . . 70.35 115.71 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.16 -41.92 89.51 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.952 0.882 . . . . 72.24 110.479 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -41.07 99.91 Favored Glycine 0 CA--C 1.492 -1.395 0 C-N-CA 124.466 1.032 . . . . 61.35 113.76 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.87 -41.51 95.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.178 0.991 . . . . 65.14 111.456 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.2 -41.22 86.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 120.913 -1.117 . . . . 54.31 112.153 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 33' ' ' PHE . 42.7 mt -59.06 -45.84 92.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 O-C-N 120.311 -1.493 . . . . 62.13 113.362 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.03 -29.18 68.91 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 114.367 1.247 . . . . 63.21 114.367 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.1 t -62.42 -42.36 99.39 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.137 1.375 . . . . 73.32 112.131 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -38.05 83.35 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-N 121.042 1.746 . . . . 73.45 114.322 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.45 -37.74 76.06 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 115.035 1.495 . . . . 64.42 115.035 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 -41.83 77.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.115 0.959 . . . . 64.33 112.81 167.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -92.02 43.95 1.15 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.573 -1.329 . . . . 75.53 113.526 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.3 mt -89.35 -23.36 22.25 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 123.494 1.616 . . . . 65.15 109.75 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.79 -15.78 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.12 1.368 . . . . 54.43 112.397 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.83 -25.88 60.31 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.613 1.965 . . . . 53.42 111.928 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 68' ' ' LEU . 62.2 mt -75.11 162.34 28.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.395 2.278 . . . . 63.53 110.83 -172.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.01 142.51 41.84 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 120.646 -1.284 . . . . 71.34 112.909 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -63.38 -28.98 70.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.88 -1.138 . . . . 64.13 113.736 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.61 -36.83 72.29 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.541 -1.35 . . . . 61.05 113.009 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -80.8 -11.52 59.59 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.888 -1.132 . . . . 74.04 112.737 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 62.4 25.67 15.31 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 128.033 2.533 . . . . 70.21 116.546 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.75 122.51 27.76 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 119.959 -1.713 . . . . 63.5 111.119 178.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -142.12 154.55 44.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.155 -1.794 . . . . 63.25 106.155 167.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -72.36 139.63 48.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.746 1.26 . . . . 74.04 112.704 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.61 -14.33 64.28 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 115.833 1.093 . . . . 70.21 115.833 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -115.98 45.14 1.79 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.036 1.418 . . . . 73.34 109.4 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.82 90.63 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 124.742 1.217 . . . . 74.4 113.248 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.69 -40.6 95.57 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 119.686 1.13 . . . . 71.01 112.57 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.26 -44.95 74.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.195 0.813 . . . . 64.51 113.195 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.67 -49.17 78.57 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.137 1.775 . . . . 75.53 113.342 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 124.59 1.156 . . . . 64.41 112.996 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 96.5 mtp -63.93 -36.03 82.61 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 113.822 1.045 . . . . 72.34 113.822 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -61.21 -27.8 68.69 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.655 -1.278 . . . . 71.23 112.595 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.26 13.66 20.6 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 125.668 1.587 . . . . 70.14 114.458 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.94 -0.58 62.62 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 121.039 -1.038 . . . . 74.33 114.251 167.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.42 57.73 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.498 1.149 . . . . 63.55 111.721 164.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -81.34 168.41 18.43 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.494 -2.004 . . . . 72.1 107.875 168.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.07 -35.19 80.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.653 -1.279 . . . . 70.14 112.663 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.81 84.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.221 1.808 . . . . 53.44 112.265 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -70.15 -36.67 74.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.964 -1.085 . . . . 75.14 112.397 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.03 88.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.247 0.832 . . . . 71.51 113.247 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -68.75 -27.64 66.09 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.772 -1.205 . . . . 72.44 112.253 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.96 -42.29 97.99 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 115.152 1.538 . . . . 73.34 115.152 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.444 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.2 mt -63.04 -41.84 99.61 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 121.641 2.019 . . . . 65.12 112.264 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.03 -40.64 96.77 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.036 -1.04 . . . . 71.03 111.878 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.53 -42.84 98.41 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 120.544 -1.347 . . . . 63.44 112.526 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.39 -45.61 93.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.406 1.083 . . . . 54.11 110.293 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.92 -56.91 16.15 Favored 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 122.106 -0.371 . . . . 60.0 111.989 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -68.6 -29.51 68.06 Favored 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 121.424 -0.798 . . . . 75.13 110.865 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -66.42 -43.08 86.71 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.246 1.022 . . . . 73.01 112.219 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.3 m -65.55 -32.06 73.44 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.096 1.358 . . . . 73.05 114.657 174.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.09 -29.62 69.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.021 -1.049 . . . . 70.43 111.359 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -70.65 -41.34 72.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.795 2.438 . . . . 72.41 110.098 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.4 m -94.55 -28.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 115.675 -0.693 . . . . 70.13 111.156 -164.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.6 157.09 6.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-O 122.78 1.276 . . . . 55.33 113.738 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -69.34 124.07 22.87 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.814 -1.179 . . . . 60.24 111.757 164.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.4 mt -104.47 131.93 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 0 C-N-CA 129.413 3.085 . . . . 74.51 103.52 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.34 127.7 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 N-CA-C 106.427 -1.694 . . . . 53.24 106.427 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.58 94.43 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.762 1.393 . . . . 74.35 114.762 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.81 -39.08 93.39 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.317 1.847 . . . . 74.4 112.797 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.55 97.95 18.73 Favored Pre-proline 0 C--N 1.349 0.565 0 CA-C-O 118.103 -0.951 . . . . 72.42 110.857 -159.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.17 -13.7 36.63 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 CA-C-N 123.549 2.303 . . . . 74.31 112.918 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.37 -45.52 72.56 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.04 1.336 . . . . 64.44 110.898 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -45.51 93.68 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.353 1.061 . . . . 74.43 112.609 168.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 m -57.39 -46.41 83.48 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.163 0.892 . . . . 73.15 112.81 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -46.83 75.5 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 117.667 2.469 . . . . 75.23 117.667 169.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -44.58 84.03 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.23 -1.544 . . . . 53.02 112.717 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.75 -41.29 99.13 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.847 0.859 . . . . 71.24 109.385 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.63 -46.8 84.06 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 121.427 -0.795 . . . . 72.51 112.521 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.67 97.56 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.608 1.163 . . . . 71.33 111.038 -174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.0 ptp -67.77 -31.96 72.21 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.015 -0.539 . . . . 72.11 111.482 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.4 t -70.69 -46.61 62.83 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 120.246 1.384 . . . . 73.24 113.68 169.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.75 -48.4 75.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.967 1.469 . . . . 70.22 114.967 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.8 tptt -63.88 -29.63 70.79 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.637 0.732 . . . . 54.32 112.201 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.81 -43.3 99.11 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 122.335 1.064 . . . . 74.34 111.882 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -67.76 -46.22 72.68 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 125.363 1.465 . . . . 74.55 114.72 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 126' ' ' LEU . 36.1 pt -66.77 -21.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 O-C-N 118.542 -2.599 . . . . 74.51 115.78 172.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.11 -37.89 89.0 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.004 0.921 . . . . 74.02 111.625 168.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -76.17 -25.16 54.98 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 121.416 -0.802 . . . . 74.34 112.952 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.0 mt -68.19 153.09 44.44 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.215 2.206 . . . . 73.24 115.178 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -0.17 54.44 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.756 1.222 . . . . 70.14 111.758 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -131.01 154.88 47.71 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 106.771 -1.566 . . . . 74.23 106.771 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.97 118.2 42.86 Favored Pre-proline 0 N--CA 1.443 -0.793 0 CA-C-O 118.57 -0.729 . . . . 74.54 111.352 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.46 152.39 70.83 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.582 2.188 . . . . 74.33 108.849 156.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.6 p -83.2 167.59 17.57 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 106.419 -1.697 . . . . 43.51 106.419 172.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.6 -31.54 72.4 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.252 -1.53 . . . . 54.11 112.526 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -60.65 -40.28 91.46 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.385 -0.822 . . . . 51.32 112.493 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.37 -45.08 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 C-N-CA 126.266 1.827 . . . . 74.43 112.285 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.21 84.21 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 113.275 0.842 . . . . 73.52 113.275 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.94 -27.8 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.081 0 C-N-CA 118.667 -1.213 . . . . 71.51 108.715 175.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.44 99.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.091 -0.838 . . . . 71.12 113.784 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.0 mt-10 -64.92 -36.34 84.06 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.216 1.508 . . . . 71.51 113.451 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . 0.267 59.4 mt -62.51 -53.53 53.33 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 121.366 -0.834 . . . . 72.45 112.87 172.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 56' ' ' ALA . 62.0 mt -68.6 -39.7 80.76 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 114.808 -1.087 . . . . 73.02 112.637 -177.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.61 92.37 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.275 -1.515 . . . . 71.41 113.34 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.03 34.72 1.68 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.349 -0.845 . . . . 63.43 111.272 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 10.3 t . . . . . 0 C--O 1.261 1.677 0 O-C-N 119.978 -1.701 . . . . 63.12 114.289 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 115.817 1.784 . . . . 74.23 115.817 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -86.78 117.35 25.47 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.716 -1.24 . . . . 64.41 110.016 -166.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 58.03 24.25 10.92 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 129.98 3.312 . . . . 63.34 113.72 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.46 -49.67 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 CA-C-O 121.755 0.788 . . . . 70.25 109.515 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.8 mtm -75.45 -37.52 60.29 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 122.954 1.359 . . . . 60.02 109.357 -151.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -153.38 170.56 20.39 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 102.859 -3.015 . . . . 74.11 102.859 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -105.41 121.26 43.55 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.507 -0.923 . . . . 75.5 108.507 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.5 ptm -159.59 162.67 35.36 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.155 -1.424 . . . . 73.23 107.155 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -143.77 152.91 41.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.726 -1.953 . . . . 75.11 105.726 166.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.33 134.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 124.388 1.075 . . . . 62.02 111.993 -177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -155.99 -174.7 5.07 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.855 -1.153 . . . . 62.43 108.202 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -67.03 -15.74 63.91 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.791 1.774 . . . . 74.41 115.791 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.49 72.69 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 116.646 2.091 . . . . 62.13 116.646 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.76 -46.99 88.41 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-O 116.528 -1.701 . . . . 72.32 114.124 -174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.01 -27.58 29.86 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 124.859 2.771 . . . . 54.22 113.702 165.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.2 tpp -70.41 -42.5 71.56 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.949 1.249 . . . . 73.51 112.059 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.21 -32.94 71.07 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.42 1.088 . . . . 74.33 111.81 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.06 95.42 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 121.226 -0.921 . . . . 74.23 111.694 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.0 m -70.5 -1.12 9.92 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.541 1.536 . . . . 75.55 114.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -47.77 7.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 119.618 -1.926 . . . . 72.4 110.1 164.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -79.53 -36.73 38.0 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.564 -1.96 . . . . 62.11 114.599 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -59.35 -38.0 79.28 Favored 'General case' 0 CA--C 1.493 -1.224 0 C-N-CA 128.006 2.522 . . . . 73.33 110.308 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.77 -7.19 57.63 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.214 -1.357 . . . . 74.41 109.255 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.13 46.04 19.69 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.205 2.602 . . . . 70.35 113.52 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.37 160.57 35.48 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 124.537 1.135 . . . . 44.25 110.56 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.1 Cg_endo -72.0 163.73 37.89 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.582 2.188 . . . . 71.13 113.387 170.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.99 -25.84 68.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.575 2.75 . . . . 65.22 109.862 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.07 77.63 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.092 1.757 . . . . 42.32 113.14 174.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.7 m -83.08 -34.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 O-C-N 120.262 -1.524 . . . . 71.14 112.598 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -68.5 -31.78 71.29 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 119.835 -1.791 . . . . 71.3 111.542 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.55 -16.53 60.25 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 121.187 -0.946 . . . . 73.23 112.366 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.9 -37.71 80.2 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.362 -0.836 . . . . 71.21 112.578 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.61 -40.62 92.49 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.052 1.13 . . . . 74.52 114.052 169.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -65.36 -42.34 92.89 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 119.769 -1.832 . . . . 62.33 113.642 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -65.16 -24.99 67.55 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.127 2.171 . . . . 53.0 114.483 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.4 -40.16 74.19 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.597 2.359 . . . . 74.42 111.887 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -79.46 -10.75 59.86 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.716 0.806 . . . . 72.34 111.998 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -63.75 130.8 45.71 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 121.274 -0.891 . . . . 62.33 112.018 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.79 130.57 43.4 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.248 -1.533 . . . . 72.13 111.546 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.71 -12.2 70.38 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 121.685 -0.635 . . . . 52.03 113.832 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -86.79 135.29 33.41 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.155 1.478 . . . . 70.24 112.944 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -111.29 119.38 38.71 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 123.143 1.449 . . . . 64.12 109.043 167.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.0 mm -101.82 123.23 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 124.743 1.217 . . . . 73.41 108.467 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p -126.88 10.74 7.07 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.007 1.323 . . . . 71.42 110.042 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -86.12 126.94 34.57 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.319 1.048 . . . . 72.23 108.742 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.66 -34.73 71.55 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.493 1.917 . . . . 72.13 113.056 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.06 -24.03 65.02 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 117.986 2.587 . . . . 73.44 117.986 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.79 68.44 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 119.762 1.165 . . . . 53.41 109.078 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.22 99.28 Favored Glycine 0 CA--C 1.492 -1.381 0 C-N-CA 124.807 1.194 . . . . 52.42 114.648 169.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.9 -37.45 81.73 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 119.183 1.492 . . . . 73.41 111.79 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.88 -41.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 O-C-N 121.119 -0.988 . . . . 64.21 112.052 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.0 mt -59.77 -46.82 93.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 O-C-N 120.419 -1.426 . . . . 63.35 112.748 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.4 -27.21 66.02 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 114.81 1.411 . . . . 64.41 114.81 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.481 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.5 t -63.58 -44.62 93.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.928 1.291 . . . . 75.52 111.994 172.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.92 -38.2 90.02 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 121.492 1.951 . . . . 63.22 113.274 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.89 -36.69 72.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 115.363 1.616 . . . . 65.24 115.363 -174.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.32 -41.75 63.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.833 0.825 . . . . 71.33 112.455 167.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.28 48.39 1.49 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.618 -1.301 . . . . 70.0 113.479 -169.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 68' ' ' LEU . 83.9 mt -94.25 -10.63 32.3 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.714 1.721 . . . . 71.11 108.98 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.2 -32.47 73.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 128.122 2.569 . . . . 61.33 109.701 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.17 -28.07 66.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.224 3.01 . . . . 73.35 111.519 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' LEU . 73.6 mt -71.75 158.92 35.25 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.399 2.28 . . . . 73.32 111.642 -175.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.71 148.73 28.82 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 120.832 -1.167 . . . . 53.33 110.369 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -61.25 -31.78 71.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.33 1.233 . . . . 72.13 114.33 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.19 -29.47 68.72 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.635 -1.291 . . . . 72.35 114.335 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ptp -84.55 -6.94 59.41 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.704 1.138 . . . . 74.23 112.343 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.3 m120 65.57 16.89 10.72 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.794 2.838 . . . . 74.1 116.129 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -85.26 122.76 29.91 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.953 -1.717 . . . . 72.51 110.976 -176.219 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -140.5 151.3 44.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.565 -1.642 . . . . 74.33 106.565 165.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' HE1' HG22 ' A' ' 143' ' ' THR . 10.9 t60 -65.47 132.85 49.97 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.168 0.987 . . . . 73.5 111.03 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.72 58.94 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.21 0.91 . . . . 63.21 114.77 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -100.92 23.64 10.38 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.228 1.411 . . . . 72.43 111.392 -167.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.95 78.84 Favored 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 125.677 1.591 . . . . 71.51 114.136 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 65.4 mtt -60.87 -39.62 89.89 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.866 0.757 . . . . 71.14 112.415 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -75.24 -44.37 46.47 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.538 0.735 . . . . 74.32 112.893 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.91 -47.78 84.37 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.074 2.149 . . . . 64.15 113.212 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.18 95.65 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 121.127 -0.983 . . . . 65.25 112.98 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.77 -36.52 84.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.189 0.996 . . . . 72.01 113.607 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -61.61 -28.46 69.38 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.825 -1.172 . . . . 73.23 112.596 172.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.59 13.74 23.19 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.739 1.616 . . . . 74.44 114.775 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.6 1.34 64.0 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.017 -1.052 . . . . 74.25 114.346 167.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.25 140.96 57.39 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.487 1.144 . . . . 60.11 111.006 163.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -82.77 171.59 13.79 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.756 -1.84 . . . . 73.03 108.396 170.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.87 -32.71 74.54 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.393 -1.442 . . . . 53.51 112.903 -171.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.8 -45.81 73.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.778 1.631 . . . . 72.42 112.249 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -64.37 -40.93 96.82 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.427 1.891 . . . . 64.13 113.377 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.97 88.09 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.919 0.866 . . . . 74.51 112.841 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -27.52 61.83 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.567 -1.333 . . . . 74.2 111.99 175.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -43.13 98.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.466 1.654 . . . . 75.22 115.466 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.28 -40.94 98.8 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.866 2.121 . . . . 74.42 112.168 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.18 -40.45 96.13 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.987 -1.071 . . . . 71.25 112.008 172.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' A' ' 95' ' ' HIS . 39.0 t70 -65.02 -40.26 94.62 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.122 1.369 . . . . 70.31 113.867 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.39 -45.84 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 120.616 -1.303 . . . . 70.54 110.469 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -66.67 -44.5 81.63 Favored 'General case' 0 CA--C 1.492 -1.259 0 C-N-CA 118.569 -1.252 . . . . 63.33 109.023 -171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 92' ' ' ASP . 2.4 p80 -64.73 -34.79 79.14 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.812 1.292 . . . . 71.15 108.382 -171.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 t -66.08 -39.76 90.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.334 -1.757 . . . . 42.34 112.248 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.5 ' HA ' HG22 ' A' ' 100' ' ' VAL . 36.1 m -69.72 -36.83 76.22 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.209 1.189 . . . . 73.03 114.209 169.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.43 -32.49 71.41 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.665 -1.272 . . . . 51.33 112.118 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -82.93 -20.08 36.01 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.617 1.167 . . . . 64.13 111.758 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.8 m -100.85 -32.13 3.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 O-C-N 121.492 -0.755 . . . . 54.15 111.248 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -69.78 154.22 8.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 122.811 1.291 . . . . 65.0 114.36 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -66.7 126.34 28.68 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.911 -1.118 . . . . 54.11 112.093 165.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.416 HG12 HG23 ' A' ' 111' ' ' THR . 72.9 mt -111.32 132.46 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 C-N-CA 129.298 3.039 . . . . 74.13 103.317 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 t -115.45 127.72 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 105.926 -1.879 . . . . 61.05 105.926 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.42 91.84 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.404 1.261 . . . . 73.34 114.404 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -64.9 -37.89 89.16 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.532 1.533 . . . . 71.14 114.309 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -128.56 92.24 41.27 Favored Pre-proline 0 C--N 1.35 0.614 0 CA-C-O 118.017 -0.992 . . . . 64.31 109.565 -163.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.87 -13.54 38.77 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.635 2.224 . . . . 75.23 112.676 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.79 -44.13 78.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.125 1.37 . . . . 70.05 110.733 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.7 95.54 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.575 1.15 . . . . 61.04 111.138 173.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.416 HG23 HG12 ' A' ' 103' ' ' ILE . 79.3 m -56.45 -46.87 80.1 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 112.658 0.614 . . . . 74.52 112.658 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -46.78 76.53 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 116.579 2.066 . . . . 74.3 116.579 171.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -45.06 87.97 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.465 -1.397 . . . . 72.52 112.875 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.23 -41.82 99.16 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.009 0.923 . . . . 73.11 109.828 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.94 -46.8 86.04 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 121.628 -0.67 . . . . 62.24 112.161 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.91 98.91 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.885 1.274 . . . . 53.21 110.414 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -73.86 -28.89 61.81 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.761 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 45.9 t -70.22 -46.12 65.14 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.678 -1.264 . . . . 74.34 113.422 166.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.7 t80 -55.0 -47.45 74.65 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 115.255 1.576 . . . . 74.43 115.255 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 123' ' ' ILE . 33.3 ttpt -61.56 -33.15 73.35 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-O 122.077 0.942 . . . . 61.15 110.951 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.84 -42.56 99.19 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 122.481 1.134 . . . . 64.02 112.118 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.82 -46.15 69.37 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 125.084 1.354 . . . . 71.25 114.467 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.832 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -66.33 -22.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 O-C-N 119.139 -2.226 . . . . 72.5 114.29 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.77 -40.85 96.6 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.697 1.199 . . . . 60.44 111.683 169.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -72.02 -27.49 62.76 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.927 0.891 . . . . 61.1 113.218 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -68.16 152.09 46.01 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 127.055 2.142 . . . . 75.22 115.389 -171.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -87.34 1.02 54.53 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.875 1.27 . . . . 63.21 111.754 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -130.48 154.84 47.35 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 106.521 -1.659 . . . . 75.24 106.521 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.34 118.65 43.48 Favored Pre-proline 0 N--CA 1.445 -0.702 0 CA-C-O 118.551 -0.738 . . . . 62.45 111.66 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.5 153.87 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.505 2.137 . . . . 52.14 108.803 155.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -84.22 168.18 15.97 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 106.27 -1.752 . . . . 74.4 106.27 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.97 -33.36 74.15 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.235 -1.54 . . . . 63.4 112.471 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -60.4 -40.68 91.79 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.419 -0.801 . . . . 55.33 112.277 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.37 -45.26 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 126.278 1.831 . . . . 63.42 112.881 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.35 -47.07 85.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 121.399 -0.813 . . . . 34.33 113.007 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.25 -29.87 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 119.02 -1.072 . . . . 54.35 108.663 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.78 99.56 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 121.53 -0.731 . . . . 31.52 114.047 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 14.6 mt-10 -64.24 -38.27 90.43 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.583 1.191 . . . . 74.2 113.208 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 119' ' ' PHE . 43.9 mt -64.71 -50.45 66.9 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.438 1.095 . . . . 74.0 113.315 173.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 56' ' ' ALA . 52.6 mt -67.81 -39.37 83.98 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.934 -1.03 . . . . 62.24 111.735 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.04 95.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 114.584 1.327 . . . . 72.12 114.584 171.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -98.15 38.29 1.34 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.607 -1.308 . . . . 72.52 112.106 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.528 HG22 ' HE1' ' A' ' 70' ' ' HIS . 15.2 t . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.544 -1.972 . . . . 74.14 112.916 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 116.202 1.927 . . . . 75.41 116.202 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -87.28 118.07 26.46 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.707 -1.245 . . . . 73.54 110.188 -169.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 59.15 19.62 7.6 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 129.854 3.261 . . . . 71.54 114.596 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 83.5 t -76.11 -45.98 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 C-N-CA 125.737 1.615 . . . . 62.52 110.707 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.9 mmm -65.79 -41.53 91.85 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.197 -1.365 . . . . 72.41 113.587 -146.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -125.17 127.78 47.34 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 104.742 -2.318 . . . . 74.34 104.742 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.82 135.56 54.1 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 114.038 1.125 . . . . 55.24 114.038 -170.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -77.81 152.28 33.56 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.154 0.978 . . . . 73.23 112.494 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -139.04 154.32 48.21 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.453 -2.425 . . . . 73.13 104.453 168.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -125.75 -33.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 114.532 1.308 . . . . 70.31 114.532 -161.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -80.07 144.36 33.21 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 119.521 -1.987 . . . . 71.21 114.207 -165.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -62.92 -23.89 67.59 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 116.008 1.855 . . . . 72.14 116.008 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.28 -24.43 62.15 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 115.326 1.602 . . . . 62.24 115.326 172.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.1 -44.48 84.44 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-O 116.386 -1.768 . . . . 71.0 114.148 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -67.96 -27.26 36.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 CA-C-N 125.085 2.852 . . . . 72.22 113.472 168.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.9 mtp -68.81 -43.41 75.66 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.372 1.442 . . . . 75.1 112.569 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.23 -31.56 67.71 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 121.335 -0.853 . . . . 75.35 111.992 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.62 92.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.237 1.015 . . . . 63.31 112.565 173.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.0 m -75.73 -0.15 19.86 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.29 . . . . 65.22 113.239 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.77 -48.38 8.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 119.425 -2.047 . . . . 72.41 109.869 164.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -81.18 -36.14 30.53 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.071 -1.643 . . . . 74.43 114.367 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.43 -38.25 80.18 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 127.158 2.183 . . . . 73.44 110.919 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.23 -9.52 52.7 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 113.865 -1.516 . . . . 63.11 109.215 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.24 46.82 15.14 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.965 2.106 . . . . 63.42 113.226 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.27 157.07 47.99 Favored Pre-proline 0 C--N 1.347 0.461 0 C-N-CA 124.467 1.107 . . . . 55.42 108.702 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.5 Cg_endo -75.07 167.02 27.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.423 2.082 . . . . 55.41 113.103 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.08 -24.76 67.82 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.361 2.664 . . . . 71.52 109.985 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.98 69.65 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 126.987 2.115 . . . . 41.41 113.637 175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.5 m -104.59 -24.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 118.642 -1.223 . . . . 72.13 111.735 -171.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -67.56 -30.45 70.08 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.158 -1.589 . . . . 42.14 110.892 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.528 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -73.66 -21.08 60.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.795 0.807 . . . . 62.5 112.176 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.18 -38.17 85.56 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.284 -0.885 . . . . 53.31 112.585 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.2 t80 -59.93 -44.24 94.45 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 114.304 1.224 . . . . 75.02 114.304 174.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 46.5 p90 -72.37 -33.91 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 116.349 1.981 . . . . 72.52 116.349 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.32 -19.98 65.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.922 1.689 . . . . 64.32 114.91 169.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -57.44 -41.14 79.88 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.135 2.174 . . . . 73.35 111.252 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -76.52 -12.93 60.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.41 1.084 . . . . 64.12 111.805 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -63.67 127.61 32.13 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 121.926 0.87 . . . . 62.53 112.517 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.79 130.51 43.02 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 120.254 -1.529 . . . . 73.32 110.901 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.03 -7.85 76.28 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 119.486 -0.619 . . . . 52.54 113.779 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -96.38 137.29 35.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.555 1.677 . . . . 60.41 112.822 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.43 125.28 53.09 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.922 1.344 . . . . 73.35 107.647 165.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.27 123.07 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 125.244 1.417 . . . . 74.35 107.483 166.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.1 p -121.27 1.61 10.24 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.98 1.312 . . . . 42.15 110.9 -172.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -90.1 132.4 35.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.052 0.941 . . . . 70.53 111.642 -165.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.26 -32.52 71.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.711 1.604 . . . . 72.2 113.9 -174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.4 mt-10 -62.18 -29.12 70.14 Favored 'General case' 0 CA--C 1.493 -1.238 0 N-CA-C 115.597 1.703 . . . . 62.25 115.597 170.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.08 86.58 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 118.702 0.683 . . . . 74.44 112.085 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.95 92.96 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 120.154 -1.591 . . . . 74.14 113.17 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.9 m -63.55 -41.76 98.41 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.478 1.111 . . . . 64.13 110.73 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.11 -42.32 84.93 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 121.445 -0.784 . . . . 61.45 111.831 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.3 mt -59.87 -46.2 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 O-C-N 120.701 -1.249 . . . . 64.01 112.966 -174.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.29 -29.16 68.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 113.711 1.004 . . . . 65.24 113.711 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.04 -41.68 99.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.912 1.685 . . . . 32.32 112.56 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.09 -37.28 79.48 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 121.241 1.837 . . . . 73.14 113.857 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.46 -38.29 68.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.043 1.497 . . . . 75.01 115.043 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.06 -38.59 79.15 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.042 0.925 . . . . 62.33 113.247 170.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -97.68 33.47 2.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.19 1.796 . . . . 75.33 112.743 -167.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -77.98 -31.08 50.54 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 120.163 -1.586 . . . . 61.0 111.154 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.34 -14.96 55.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.129 1.372 . . . . 62.2 113.138 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.02 -27.62 57.43 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.034 1.734 . . . . 70.2 111.716 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 68' ' ' LEU . 62.6 mt -67.81 163.29 22.13 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.0 2.52 . . . . 75.24 112.203 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.45 122.1 15.42 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.192 -0.942 . . . . 74.32 111.769 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.164 1.386 . . . . 53.43 113.733 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -55.92 -34.91 66.03 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 125.117 1.367 . . . . 64.11 113.616 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 ptp -79.41 -15.47 57.78 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 120.695 -1.253 . . . . 73.15 111.788 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 61.23 34.35 18.76 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.289 2.636 . . . . 70.43 116.428 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -80.88 122.28 27.02 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.205 -1.559 . . . . 73.12 110.925 176.776 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.45 150.42 43.8 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.22 -1.03 . . . . 72.42 108.22 165.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.38 129.52 40.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 122.375 1.083 . . . . 74.43 113.437 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 -10.99 73.15 Favored Glycine 0 C--N 1.35 1.327 0 C-N-CA 125.193 1.377 . . . . 74.23 115.469 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.39 24.41 12.18 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.191 1.496 . . . . 65.34 111.759 -169.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.79 84.0 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 114.256 1.206 . . . . 50.43 114.256 -171.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.82 -40.51 93.05 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.444 1.02 . . . . 71.12 112.38 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -73.62 -44.5 56.89 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 113.297 0.851 . . . . 72.42 113.297 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 57.4 t80 -60.38 -46.96 88.1 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 127.081 2.152 . . . . 62.5 113.076 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.95 90.67 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.946 -1.096 . . . . 71.41 113.732 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 72.8 mtm -63.6 -35.46 80.59 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 113.986 1.106 . . . . 63.24 113.986 173.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.29 -27.3 68.38 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.797 -1.189 . . . . 72.32 112.439 172.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -95.87 14.15 24.39 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.905 1.682 . . . . 61.15 114.867 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.98 -0.12 64.17 Favored Glycine 0 C--N 1.35 1.327 0 O-C-N 121.002 -1.061 . . . . 62.34 114.004 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 140.96 58.13 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.292 1.046 . . . . 74.24 111.23 163.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -81.99 171.77 14.03 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.583 -1.948 . . . . 74.12 107.957 168.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.02 -34.23 77.54 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.504 -1.372 . . . . 65.2 112.566 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.9 83.56 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.693 1.997 . . . . 72.13 112.822 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -67.78 -38.99 84.1 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.484 1.113 . . . . 72.23 112.012 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.07 83.29 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.723 0.773 . . . . 62.32 112.691 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -69.53 -29.52 67.14 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.86 -1.15 . . . . 75.4 112.136 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.13 -43.47 98.83 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 115.451 1.649 . . . . 74.43 115.451 170.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.2 mt -63.84 -41.37 97.84 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 121.584 1.993 . . . . 64.35 112.324 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.32 -40.37 97.13 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.976 -1.078 . . . . 61.22 111.892 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.38 -42.73 96.0 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.295 -1.503 . . . . 64.45 112.497 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.42 -45.28 93.7 Favored 'Isoleucine or valine' 0 C--N 1.362 1.133 0 C-N-CA 124.861 1.264 . . . . 73.23 109.95 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -59.4 -51.98 67.6 Favored 'General case' 0 CA--C 1.487 -1.476 0 O-C-N 121.714 -0.616 . . . . 71.43 111.826 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 88.6 m-70 -74.94 -26.61 59.73 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 120.854 -1.154 . . . . 51.1 111.075 -175.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -67.58 -41.47 84.07 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 114.504 1.298 . . . . 72.11 114.504 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.448 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.2 m -67.28 -41.24 85.82 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 115.289 1.589 . . . . 44.34 115.289 169.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.574 ' CG ' ' HA ' ' A' ' 95' ' ' HIS . 1.3 pp20? -69.08 -17.51 63.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.366 -1.459 . . . . 64.21 113.94 -171.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -86.82 -21.43 26.45 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.417 0.687 . . . . 72.3 112.781 173.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 97' ' ' CYS . 32.6 m -97.34 -28.09 3.77 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 O-C-N 120.785 -1.197 . . . . 55.33 111.667 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.458 HG12 ' HA ' ' A' ' 98' ' ' GLU . 1.6 pt -69.94 157.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 N-CA-C 115.147 1.536 . . . . 72.21 115.147 176.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.0 m -67.57 127.66 33.56 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.341 1.067 . . . . 62.43 112.532 164.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.8 mt -114.17 132.52 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.67 0 C-N-CA 129.782 3.233 . . . . 73.12 103.099 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 t -115.09 127.98 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 105.758 -1.941 . . . . 64.34 105.758 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.43 92.22 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 114.546 1.313 . . . . 74.23 114.546 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -65.3 -37.78 88.21 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.577 1.551 . . . . 31.54 114.623 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -125.92 96.65 37.05 Favored Pre-proline 0 C--N 1.349 0.556 0 CA-C-O 117.811 -1.09 . . . . 74.22 108.368 -163.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.56 -12.59 33.61 Favored 'Trans proline' 0 C--N 1.33 -0.443 0 CA-C-N 123.843 2.408 . . . . 71.41 112.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.6 m -74.0 -43.5 57.82 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.009 1.324 . . . . 74.32 110.458 -173.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -44.18 97.5 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.983 -1.073 . . . . 74.4 111.401 173.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.9 m -54.55 -46.98 73.74 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.61 0.764 . . . . 74.44 111.11 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.21 -47.91 63.52 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.63 -1.293 . . . . 74.33 114.227 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.38 81.57 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.489 1.515 . . . . 71.33 112.717 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.91 -41.47 97.94 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.955 0.902 . . . . 73.11 109.334 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.78 -46.22 86.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.441 -0.787 . . . . 72.24 112.934 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.35 98.66 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 124.651 1.18 . . . . 74.43 110.909 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 15.8 ptp -69.38 -30.91 69.0 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 118.999 -0.524 . . . . 75.12 111.118 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.0 t -71.11 -46.12 62.32 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 120.218 1.372 . . . . 73.2 113.24 168.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.0 t80 -54.6 -48.53 72.05 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 114.883 1.438 . . . . 70.14 114.883 174.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 123' ' ' ILE . 29.0 tptp -62.75 -30.61 71.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.352 1.061 . . . . 75.02 112.487 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.492 1.139 . . . . 74.02 112.397 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -68.23 -46.35 70.78 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.87 1.268 . . . . 55.44 114.139 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.1 pt -66.74 -22.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 119.178 -2.201 . . . . 72.25 114.082 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.22 -41.44 98.39 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 124.661 1.184 . . . . 71.44 111.898 168.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.3 -25.35 57.85 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 113.282 0.845 . . . . 75.15 113.282 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.6 mt -67.04 152.57 45.54 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.305 2.242 . . . . 72.22 115.225 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.93 1.06 53.9 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.866 1.266 . . . . 70.01 111.747 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -129.24 154.87 46.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 106.616 -1.624 . . . . 73.11 106.616 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.32 118.64 39.52 Favored Pre-proline 0 N--CA 1.445 -0.709 0 CA-C-O 118.444 -0.789 . . . . 61.01 111.444 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.71 147.57 63.5 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.466 2.11 . . . . 54.42 109.165 156.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.1 t -80.43 167.31 20.34 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 109.026 -0.731 . . . . 50.04 109.026 164.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.74 -33.36 73.91 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.799 -1.188 . . . . 75.33 111.822 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -59.27 -41.48 88.98 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.59 0.756 . . . . 74.01 112.134 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.77 -44.63 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 C-N-CA 126.678 1.991 . . . . 71.32 114.492 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.69 -47.89 79.37 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.591 0.96 . . . . 75.32 113.591 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 m -79.17 -28.63 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 120.751 -1.218 . . . . 74.31 108.232 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.13 -44.14 97.64 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.105 -0.83 . . . . 44.03 114.299 -173.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.7 mt-10 -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.107 1.453 . . . . 65.2 113.217 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -62.06 -55.29 30.54 Favored 'General case' 0 CA--C 1.478 -1.826 0 O-C-N 121.663 -0.648 . . . . 61.42 112.61 170.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 56' ' ' ALA . 72.7 mt -67.14 -40.58 86.76 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.652 -0.704 . . . . 65.0 112.725 -176.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.61 84.42 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.505 -1.372 . . . . 73.41 113.704 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.19 0.84 55.59 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 121.309 -0.869 . . . . 73.33 111.935 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.26 1.616 0 O-C-N 120.526 -1.359 . . . . 63.15 113.025 177.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.518 2.953 0 N-CA-C 115.501 1.667 . . . . 62.32 115.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.69 -43.98 97.42 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.123 1.769 . . . . 55.5 114.027 -168.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.34 5.65 48.43 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.063 0.945 . . . . 71.42 113.338 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.61 -62.34 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 122.939 1.352 . . . . 54.41 108.117 -170.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.8 mtp 51.05 42.74 28.9 Favored 'General case' 0 N--CA 1.43 -1.446 1 C-N-CA 131.868 4.067 . . . . 72.23 115.66 -174.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -104.54 172.26 6.89 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.598 1.666 . . . . 52.32 113.995 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.93 157.08 46.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 112.949 -1.932 . . . . 73.33 107.429 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.49 160.43 43.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 107.848 -1.167 . . . . 62.22 107.848 -175.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.2 p -85.17 164.48 18.09 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 122.019 0.914 . . . . 63.52 112.412 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.7 pt -97.69 -0.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 113.884 1.068 . . . . 70.41 113.884 -169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -148.01 -178.99 6.59 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.396 -1.44 . . . . 73.12 111.411 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -85.59 -3.26 58.82 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 125.91 1.684 . . . . 75.42 115.511 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.79 77.98 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 117.555 2.428 . . . . 73.43 117.555 -171.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -63.0 -45.96 86.91 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-O 116.58 -1.676 . . . . 72.01 114.348 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.61 -27.72 32.22 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 CA-C-N 124.768 2.739 . . . . 74.53 113.614 166.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.1 tpt -71.04 -42.63 69.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.592 1.087 . . . . 71.41 111.494 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.91 -32.36 69.28 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.587 1.155 . . . . 71.11 112.018 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.71 96.42 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.152 0.981 . . . . 74.11 113.027 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.7 m -60.37 -44.64 95.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.384 -0.822 . . . . 70.34 110.377 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.41 -43.28 93.05 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.908 -1.745 . . . . 73.45 111.756 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.56 -40.46 42.33 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.849 1.426 . . . . 64.01 114.849 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.76 -39.47 88.88 Favored 'General case' 0 CA--C 1.486 -1.505 0 C-N-CA 126.705 2.002 . . . . 63.03 110.574 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.5 mt -82.87 -7.44 59.66 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.816 -1.084 . . . . 55.23 110.393 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 57.1 45.28 21.1 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.545 2.338 . . . . 73.35 113.362 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.57 158.0 46.29 Favored Pre-proline 0 C--N 1.351 0.638 0 C-N-CA 124.059 0.944 . . . . 51.02 109.497 -173.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.9 Cg_endo -74.96 166.06 30.02 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.264 1.976 . . . . 74.44 113.443 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.06 -26.43 68.55 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 128.316 2.646 . . . . 64.13 109.93 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.89 72.13 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.279 1.832 . . . . 54.15 113.837 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.5 m -99.57 -22.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 O-C-N 120.196 -1.565 . . . . 72.12 111.974 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.86 -31.91 72.06 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 120.094 -1.629 . . . . 50.04 111.089 169.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -76.21 -16.83 59.76 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.069 -1.019 . . . . 74.41 112.711 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.74 -38.0 80.52 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.316 -0.865 . . . . 74.25 112.641 169.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.28 -41.58 93.65 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.502 1.297 . . . . 62.2 114.502 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -66.48 -41.46 88.94 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 119.916 -1.74 . . . . 74.41 113.364 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -65.15 -25.5 67.77 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.985 1.714 . . . . 75.41 114.334 171.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.29 -40.08 77.07 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.789 2.035 . . . . 71.33 111.845 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.22 -9.44 59.57 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.466 0.706 . . . . 74.32 112.805 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.19 133.36 54.18 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 121.269 -0.895 . . . . 74.11 109.791 171.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.84 118.09 9.17 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.262 -1.524 . . . . 64.23 113.194 -163.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 -2.54 81.29 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 124.596 1.093 . . . . 62.24 115.228 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -69.03 135.42 50.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.36 1.58 . . . . 72.0 113.26 -168.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -88.74 78.74 7.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 120.754 -1.216 . . . . 74.34 113.96 -164.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -88.92 119.11 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.967 0.889 . . . . 71.12 109.678 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p -121.85 -2.93 9.21 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 125.051 1.34 . . . . 64.51 111.345 -175.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -85.55 131.65 34.32 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 124.149 0.98 . . . . 71.4 112.324 -160.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -59.29 -32.86 70.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 126.889 2.076 . . . . 63.12 113.131 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.5 mt-10 -63.07 -31.48 72.62 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 116.185 1.92 . . . . 74.32 116.185 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.35 90.25 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.762 0.71 . . . . 65.13 111.072 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -38.38 95.52 Favored Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.33 -1.481 . . . . 62.55 113.106 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.51 -41.44 98.53 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.702 0.801 . . . . 61.43 110.86 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -68.27 -41.89 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 O-C-N 121.281 -0.887 . . . . 75.31 112.046 172.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.03 -45.84 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 O-C-N 120.818 -1.177 . . . . 33.22 111.94 -173.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.39 -27.91 66.64 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 114.399 1.259 . . . . 62.1 114.399 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.5 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.5 t -62.31 -43.16 99.48 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.637 1.575 . . . . 63.53 112.171 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.08 -36.84 80.72 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 120.894 1.679 . . . . 64.31 113.433 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.16 -38.91 68.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.487 1.515 . . . . 53.32 114.878 -175.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.32 -36.6 71.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 122.223 1.011 . . . . 73.41 112.641 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.57 32.86 2.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.883 1.673 . . . . 73.34 112.631 -167.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.0 mt -79.52 -28.63 41.33 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 119.966 -1.709 . . . . 74.3 110.87 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.88 -14.92 57.26 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.997 1.319 . . . . 71.44 112.851 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.71 -27.15 60.26 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.297 1.839 . . . . 60.4 111.645 172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 68' ' ' LEU . 55.1 mt -69.86 164.55 23.49 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 127.854 2.462 . . . . 61.42 110.941 -174.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -66.2 135.17 54.13 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.722 -1.236 . . . . 72.23 110.255 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.13 -27.77 68.63 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.18 -0.95 . . . . 70.34 112.89 173.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.79 -34.05 72.51 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.561 -1.337 . . . . 75.2 113.39 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.5 ptm -81.71 -11.28 59.11 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.955 -1.09 . . . . 61.44 112.213 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 60.8 29.83 19.27 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.172 2.589 . . . . 34.01 116.322 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.99 121.9 27.11 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.19 -1.569 . . . . 73.11 110.926 175.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -139.41 153.12 47.55 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.284 -1.006 . . . . 72.45 108.284 164.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.34 128.06 34.69 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.473 1.13 . . . . 64.11 113.039 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.33 -10.7 72.88 Favored Glycine 0 C--N 1.347 1.185 0 C-N-CA 125.301 1.429 . . . . 42.55 115.175 -174.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.68 26.67 9.69 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.045 1.423 . . . . 64.45 112.029 -167.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.24 85.75 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.572 1.323 . . . . 74.52 114.572 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mtm -61.15 -39.79 91.4 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.236 0.926 . . . . 73.24 112.735 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -72.9 -44.69 60.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 121.749 0.785 . . . . 74.12 113.064 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.91 -46.6 89.98 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 127.399 2.279 . . . . 64.44 113.321 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.71 99.35 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 120.212 -1.555 . . . . 63.3 112.92 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -37.91 89.09 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 114.81 1.411 . . . . 75.41 114.81 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.277 48.8 tptt -59.98 -34.44 73.3 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 125.892 1.677 . . . . 75.11 113.373 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -89.29 13.86 12.44 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.555 1.542 . . . . 74.13 115.043 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.2 0.54 61.49 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.997 -1.064 . . . . 63.34 114.113 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.39 49.05 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 118.295 1.047 . . . . 62.11 110.438 163.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -84.7 -177.68 6.66 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.721 -2.487 . . . . 74.2 110.875 161.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.16 -24.69 67.77 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.933 -1.03 . . . . 65.24 111.018 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.68 -43.79 30.06 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.456 1.122 . . . . 43.21 112.312 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 mtt -66.94 -39.65 87.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.727 1.611 . . . . 74.24 112.566 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.39 80.27 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.78 0.8 . . . . 70.43 113.03 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -31.08 70.83 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.138 -0.976 . . . . 63.44 111.759 174.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.35 -44.66 96.81 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 115.803 1.779 . . . . 51.34 115.803 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.1 mt -64.26 -41.15 97.08 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 121.884 2.129 . . . . 73.21 112.396 176.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.73 -39.96 95.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.927 -1.108 . . . . 73.42 111.876 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.33 -42.83 96.1 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.338 -1.476 . . . . 71.15 112.72 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.53 -45.28 94.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 C-N-CA 124.133 0.973 . . . . 73.54 110.09 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -59.39 -53.86 53.31 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 121.754 -0.591 . . . . 65.13 111.514 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -71.71 -27.63 63.15 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.127 -0.983 . . . . 72.35 110.254 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -66.14 -41.15 90.84 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 122.631 1.205 . . . . 63.42 112.667 172.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -67.76 -35.37 78.58 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.093 1.145 . . . . 73.03 114.093 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.12 -29.22 68.48 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.025 1.33 . . . . 72.14 113.051 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -87.07 -19.31 28.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 112.22 0.452 . . . . 74.35 112.22 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.5 m -100.8 -30.9 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 121.34 -0.85 . . . . 60.15 111.173 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.29 155.57 7.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-O 122.785 1.279 . . . . 72.43 114.441 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 m -69.03 126.78 30.9 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.979 -1.076 . . . . 74.11 111.98 164.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 111' ' ' THR . 71.7 mt -110.0 132.22 58.85 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.666 0 C-N-CA 129.396 3.079 . . . . 63.32 103.253 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.5 t -112.88 128.51 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 N-CA-C 105.641 -1.985 . . . . 63.43 105.641 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.67 91.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.601 1.334 . . . . 51.32 114.601 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.4 -37.48 87.09 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 125.404 1.482 . . . . 65.13 114.733 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -128.5 92.1 41.84 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-O 118.365 -0.826 . . . . 74.21 109.032 -162.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -69.25 -13.69 36.39 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 122.735 2.29 . . . . 74.34 112.545 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -69.9 -43.43 71.78 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.819 1.248 . . . . 73.24 110.622 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -44.96 96.18 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.127 0.971 . . . . 72.45 110.929 172.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 103' ' ' ILE . 80.6 m -55.92 -46.58 78.4 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 111.976 0.361 . . . . 74.11 111.976 175.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.6 tpt -66.58 -48.04 70.85 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.597 -1.315 . . . . 74.1 113.818 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -44.68 82.65 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.189 1.395 . . . . 51.12 112.806 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.45 -41.51 98.8 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.177 0.991 . . . . 70.31 109.442 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.98 -46.99 85.07 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 121.489 -0.757 . . . . 72.54 112.363 174.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.23 98.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.953 1.301 . . . . 75.54 111.146 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -71.5 -29.35 64.7 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 119.188 -0.434 . . . . 51.34 110.982 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -70.22 -46.44 64.5 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 119.921 1.237 . . . . 63.23 113.489 167.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 76.7 t80 -55.17 -47.12 75.63 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 114.877 1.436 . . . . 72.11 114.877 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 123' ' ' ILE . 76.2 tttt -61.68 -34.23 75.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.429 1.092 . . . . 75.13 111.163 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.53 99.02 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.531 1.158 . . . . 64.22 112.014 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.93 -46.66 70.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 115.144 1.535 . . . . 74.42 115.144 173.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.823 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.5 pt -66.48 -22.16 29.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 119.034 -2.291 . . . . 74.12 114.435 174.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.58 -40.63 95.46 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.966 1.306 . . . . 74.32 111.771 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -74.47 -25.3 59.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.911 0.884 . . . . 74.15 113.036 -173.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.1 mt -69.1 152.92 44.57 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.225 2.21 . . . . 73.31 115.282 -172.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.16 1.66 52.35 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.809 1.244 . . . . 62.12 111.363 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -131.18 155.29 47.29 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 106.763 -1.569 . . . . 74.22 106.763 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.91 118.93 41.96 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-O 118.576 -0.726 . . . . 70.34 111.034 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.68 152.32 69.68 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.436 2.091 . . . . 62.33 108.711 155.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 28.6 p -83.32 167.97 17.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 106.193 -1.781 . . . . 72.24 106.193 171.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -32.34 72.76 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.34 -1.475 . . . . 62.44 112.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.17 -40.03 88.52 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.621 0.768 . . . . 75.25 112.537 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.57 -44.41 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.421 1.888 . . . . 72.34 112.084 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.29 79.9 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 113.479 0.918 . . . . 73.1 113.479 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.42 -27.43 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 C-N-CA 118.677 -1.209 . . . . 75.42 108.232 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.75 -43.04 99.54 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.088 -0.84 . . . . 51.32 114.114 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.6 mt-10 -64.52 -36.75 85.2 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.297 1.548 . . . . 74.25 113.699 174.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -62.03 -55.09 32.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 121.404 -0.81 . . . . 75.31 112.508 171.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.57 HD22 ' HB2' ' A' ' 56' ' ' ALA . 67.1 mt -67.42 -38.08 84.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.605 -0.725 . . . . 74.25 112.498 -175.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.82 96.14 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.1 1.148 . . . . 72.1 114.1 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.9 -32.81 65.6 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 121.167 -0.958 . . . . 63.13 111.612 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.259 1.59 0 N-CA-C 115.101 1.519 . . . . 73.5 115.101 -178.025 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.518 2.952 0 N-CA-C 115.672 1.73 . . . . 74.53 115.672 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -79.9 116.96 20.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.93 -1.106 . . . . 73.22 109.939 -166.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.52 29.19 3.84 Favored 'General case' 0 C--N 1.353 0.748 1 C-N-CA 132.25 4.22 . . . . 62.54 113.826 -168.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -98.35 -46.69 12.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 121.931 0.872 . . . . 71.43 109.296 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.6 ptp -70.01 -30.4 67.7 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 114.537 1.31 . . . . 74.21 114.537 -148.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.8 115.09 27.6 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.143 -1.058 . . . . 73.24 108.143 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -125.94 -27.95 3.25 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 114.325 1.232 . . . . 74.12 114.325 -171.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 tpt -115.01 132.2 56.68 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.043 -1.036 . . . . 73.33 108.394 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -87.69 161.98 17.34 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 121.958 0.885 . . . . 72.42 111.353 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.64 131.59 57.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 105.705 -1.961 . . . . 72.2 105.705 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -144.44 -174.17 4.24 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.102 -0.999 . . . . 72.35 109.59 -170.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -63.92 -21.0 66.27 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.611 1.708 . . . . 53.15 115.611 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.55 76.15 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 115.09 1.515 . . . . 75.51 115.09 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.28 -47.5 70.57 Favored Pre-proline 0 C--N 1.352 0.715 0 CA-C-O 117.061 -1.447 . . . . 71.52 113.085 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.7 -28.53 37.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 CA-C-N 124.221 2.543 . . . . 71.4 114.794 164.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -68.04 -42.59 80.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.847 1.658 . . . . 72.04 112.373 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.78 -30.45 65.57 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 120.667 -1.271 . . . . 74.43 111.978 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.76 99.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 113.323 0.86 . . . . 73.02 113.323 168.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 98.3 m -60.2 -43.57 95.83 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.958 -1.089 . . . . 35.23 110.309 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -43.57 89.92 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.726 -1.859 . . . . 74.41 112.246 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -77.56 -40.69 41.54 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 115.001 1.482 . . . . 64.55 115.001 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -60.28 -39.31 86.41 Favored 'General case' 0 CA--C 1.49 -1.352 0 C-N-CA 127.048 2.139 . . . . 73.41 110.452 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -86.02 -7.06 58.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.98 -1.009 . . . . 71.42 110.516 -177.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m120 56.52 46.21 20.98 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.002 2.121 . . . . 73.35 113.72 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.53 158.5 43.17 Favored Pre-proline 0 C--N 1.35 0.614 0 C-N-CA 124.659 1.184 . . . . 72.03 108.921 -174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -72.31 164.63 35.04 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.411 2.074 . . . . 74.43 113.527 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.11 -30.95 71.37 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 129.001 2.921 . . . . 73.32 109.249 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.25 71.44 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 127.498 2.319 . . . . 64.12 114.265 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.4 m -98.13 -24.67 4.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.163 -1.586 . . . . 65.21 112.261 -171.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -32.99 73.95 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.171 -1.581 . . . . 75.12 110.369 170.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.526 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.1 pp0? -72.95 -19.61 61.21 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-O 121.96 0.886 . . . . 71.2 112.451 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.35 -38.29 88.94 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 113.951 1.093 . . . . 71.11 113.951 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.5 t80 -60.62 -46.04 91.77 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.087 1.143 . . . . 72.22 114.087 175.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.7 p90 -72.36 -32.66 66.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 115.271 1.582 . . . . 74.34 115.271 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.95 -14.62 60.58 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.935 1.457 . . . . 71.34 114.935 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.33 -41.01 83.64 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 125.431 1.492 . . . . 73.12 109.688 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -68.01 -21.22 65.05 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.7 1.6 . . . . 72.23 112.747 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -61.35 127.03 29.5 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.801 0.841 . . . . 71.12 110.996 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -67.71 123.57 20.88 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.512 -1.368 . . . . 61.43 112.383 -169.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.33 -5.24 84.98 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 119.344 -0.698 . . . . 61.41 114.448 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -83.54 132.86 34.9 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.714 1.757 . . . . 74.15 110.997 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -95.07 116.39 28.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 123.36 1.552 . . . . 75.54 110.397 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.48 119.34 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 124.154 0.982 . . . . 71.52 109.726 166.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -129.9 3.72 4.9 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 124.641 1.177 . . . . 61.33 111.093 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.34 133.83 33.98 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 121.341 -0.849 . . . . 64.31 111.821 -163.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.73 -33.47 71.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.278 1.831 . . . . 73.14 113.221 -173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.547 ' CD ' HG11 ' A' ' 29' ' ' VAL . 6.4 mt-10 -63.88 -29.04 70.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 116.541 2.052 . . . . 71.51 116.541 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.7 -42.29 83.42 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 118.947 0.794 . . . . 63.33 111.674 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.37 94.22 Favored Glycine 0 CA--C 1.494 -1.279 0 O-C-N 120.095 -1.628 . . . . 54.41 113.108 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.75 -42.18 97.89 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.814 1.246 . . . . 75.44 110.733 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.54 -42.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 121.343 -0.848 . . . . 75.11 111.654 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.5 mt -59.29 -45.59 93.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 O-C-N 120.271 -1.518 . . . . 54.5 113.094 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.94 -28.49 68.33 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 114.135 1.161 . . . . 62.32 114.135 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.27 1.428 . . . . 53.4 112.625 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.85 -36.72 79.86 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-N 121.031 1.742 . . . . 73.42 113.584 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.67 -38.3 72.02 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 115.353 1.612 . . . . 74.14 115.353 -175.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.91 -41.06 71.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 122.071 0.939 . . . . 72.41 112.913 168.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.72 45.19 1.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.559 -1.338 . . . . 64.12 113.453 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.47 -22.29 20.48 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 123.241 1.496 . . . . 73.24 109.722 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -16.75 63.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.978 1.311 . . . . 65.31 112.035 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.89 -27.94 64.18 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.753 2.021 . . . . 72.13 111.892 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD12 HD13 ' A' ' 68' ' ' LEU . 52.0 mt -75.39 160.7 29.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.334 2.254 . . . . 73.12 110.856 -172.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.66 144.05 34.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.815 -1.178 . . . . 61.41 109.915 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.07 -28.27 68.95 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.173 1.175 . . . . 64.14 114.173 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.2 -35.65 71.94 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.479 -1.388 . . . . 71.24 113.514 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.43 -17.37 56.47 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.777 -1.202 . . . . 75.14 112.747 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 65.94 24.37 11.17 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.453 2.701 . . . . 74.42 117.359 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.12 122.27 27.15 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.888 -1.758 . . . . 74.43 110.65 176.57 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -138.5 146.15 41.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.337 -1.357 . . . . 71.41 107.337 165.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' HE1' ' O ' ' A' ' 143' ' ' THR . 8.1 t60 -65.64 130.78 44.5 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.342 1.057 . . . . 70.52 111.006 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.86 -12.05 68.61 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 124.206 0.908 . . . . 53.13 114.955 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -102.15 22.36 13.35 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.694 1.247 . . . . 52.24 111.454 -171.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -42.96 80.72 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 124.78 1.232 . . . . 73.05 114.293 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.7 mtp -60.96 -37.83 83.79 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.042 -1.036 . . . . 73.14 112.638 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.2 -45.34 26.91 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.363 0.875 . . . . 63.33 113.363 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 36.7 t80 -60.53 -44.36 96.16 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.771 2.029 . . . . 54.31 113.736 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -58.05 -41.62 83.68 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.066 0.946 . . . . 75.32 112.563 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.91 -37.45 87.45 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.739 1.216 . . . . 72.44 113.895 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.74 -26.51 68.11 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.94 -1.1 . . . . 73.13 112.55 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -96.63 14.27 25.43 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 125.476 1.511 . . . . 70.13 114.757 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 0.91 64.13 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 120.959 -1.088 . . . . 32.3 114.411 166.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.23 141.94 57.1 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 118.573 1.186 . . . . 73.24 110.886 162.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -82.9 172.74 12.49 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 119.429 -2.044 . . . . 72.34 108.641 170.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.69 -31.82 73.21 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.413 -1.43 . . . . 65.45 112.857 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.27 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.443 1.497 . . . . 74.43 112.455 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.15 -40.48 96.23 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.051 2.14 . . . . 72.32 113.078 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.07 89.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.604 1.162 . . . . 74.24 112.855 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -76.59 -26.88 55.51 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.502 0.721 . . . . 74.22 112.367 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -60.13 -42.26 94.44 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.029 1.492 . . . . 75.22 115.029 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.64 -41.22 98.91 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 121.307 1.867 . . . . 74.24 112.544 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.93 -40.68 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.107 -0.996 . . . . 63.14 111.757 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.54 -42.59 95.64 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.312 1.445 . . . . 50.14 112.655 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.47 -44.65 93.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.107 0 C-N-CA 124.6 1.16 . . . . 62.34 110.115 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -57.53 -57.77 11.22 Favored 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 122.007 -0.433 . . . . 74.2 111.915 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.15 -29.71 68.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 O-C-N 121.348 -0.845 . . . . 60.41 111.116 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.7 t -66.19 -43.55 86.49 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 122.482 1.134 . . . . 61.14 111.914 172.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' HG22 ' A' ' 100' ' ' VAL . 7.8 m -66.09 -29.95 70.38 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 115.18 1.548 . . . . 62.2 115.18 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.5 -28.93 69.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.814 1.246 . . . . 63.35 111.015 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -74.56 -42.16 59.29 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 127.06 2.144 . . . . 73.52 109.514 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 97' ' ' CYS . 23.0 m -86.84 -32.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 123.134 0.574 . . . . 73.24 111.737 -168.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.7 157.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-O 122.833 1.302 . . . . 64.41 114.162 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 m -68.89 125.8 27.76 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.845 -1.159 . . . . 72.41 112.14 164.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.1 mt -107.82 132.12 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 129.169 2.988 . . . . 63.22 103.398 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.2 t -113.26 128.42 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.966 -1.864 . . . . 72.4 105.966 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.49 89.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.267 1.21 . . . . 60.45 114.267 171.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.36 -38.49 91.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 125.499 1.52 . . . . 74.12 114.292 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -128.63 98.62 24.76 Favored Pre-proline 0 N--CA 1.445 -0.686 0 CA-C-O 117.762 -1.114 . . . . 63.24 109.33 -162.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.5 -13.31 37.13 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 123.838 2.406 . . . . 74.45 112.873 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.86 -44.5 63.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.696 1.199 . . . . 52.14 111.046 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -44.83 96.62 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 120.91 -1.119 . . . . 74.14 111.817 172.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.2 m -55.06 -47.39 74.91 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.924 0.89 . . . . 63.12 110.952 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.8 tpt -69.51 -47.51 63.55 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.567 -1.333 . . . . 74.4 114.411 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.91 83.68 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.733 1.213 . . . . 74.41 112.478 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.1 -41.01 97.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 123.948 0.899 . . . . 64.24 109.432 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.95 -47.17 84.35 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 121.392 -0.817 . . . . 64.55 112.616 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.92 98.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.167 0.987 . . . . 62.12 111.014 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.18 -29.79 66.75 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 118.951 -0.547 . . . . 73.43 111.908 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.3 t -68.79 -46.49 68.57 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 120.635 1.561 . . . . 74.13 113.897 167.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.511 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.09 -48.08 74.04 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 114.689 1.366 . . . . 73.35 114.689 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.698 ' HD2' HD11 ' A' ' 123' ' ' ILE . 28.9 mmmt -64.0 -28.11 69.58 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.659 0.784 . . . . 75.32 112.232 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -64.35 -43.0 95.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-O 122.282 1.039 . . . . 34.41 112.222 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.57 -45.97 74.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.658 1.355 . . . . 63.1 114.658 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 126' ' ' LEU . 19.1 pt -66.73 -22.13 29.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 119.347 -2.096 . . . . 73.44 114.742 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.67 -40.49 95.11 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 124.668 1.187 . . . . 61.25 111.585 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -72.08 -27.07 62.43 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.273 1.029 . . . . 63.11 113.363 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -68.57 153.18 44.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.263 2.225 . . . . 71.24 115.228 -173.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.94 -0.77 55.36 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.811 1.244 . . . . 71.02 111.826 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -129.66 153.68 47.88 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 106.306 -1.738 . . . . 73.45 106.306 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.08 118.18 40.59 Favored Pre-proline 0 N--CA 1.444 -0.73 0 CA-C-O 118.481 -0.771 . . . . 52.23 111.242 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.0 154.02 63.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.387 2.058 . . . . 71.42 109.846 158.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -85.68 170.46 12.49 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 106.981 -1.488 . . . . 74.42 106.981 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.28 -32.73 72.56 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.274 -1.516 . . . . 73.41 112.483 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.19 -37.07 79.12 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.614 1.166 . . . . 72.04 112.297 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.05 -44.87 13.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.124 2.169 . . . . 70.35 111.138 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.2 81.08 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.426 -1.421 . . . . 74.15 114.207 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.38 -28.21 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 120.315 -1.491 . . . . 75.24 108.896 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.14 96.97 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 119.394 -0.67 . . . . 55.21 114.526 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -69.27 -30.53 68.65 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 119.411 1.606 . . . . 72.04 113.219 178.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 119' ' ' PHE . 42.8 mt -63.18 -59.95 4.07 Favored 'General case' 0 CA--C 1.474 -1.975 0 C-N-CA 123.612 0.765 . . . . 75.42 111.124 168.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 56' ' ' ALA . 74.0 mt -65.83 -37.17 85.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.938 0.718 . . . . 72.44 112.938 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.77 92.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.833 1.42 . . . . 75.23 114.833 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -80.06 -30.3 39.35 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.588 -1.32 . . . . 43.14 110.893 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 70' ' ' HIS . 75.3 m . . . . . 0 C--O 1.259 1.57 0 N-CA-C 115.864 1.802 . . . . 61.01 115.864 -175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.519 2.978 0 N-CA-C 115.275 1.583 . . . . 72.15 115.275 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -63.96 -34.57 78.28 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.473 -1.392 . . . . 61.14 114.281 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -86.02 0.81 52.43 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 114.299 1.222 . . . . 64.14 114.299 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.04 -49.89 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 124.329 1.052 . . . . 50.03 109.332 -175.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 114.737 1.384 . . . . 74.44 114.737 -150.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -127.51 163.13 24.8 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-O 123.827 1.775 . . . . 72.13 114.836 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.71 -37.15 86.6 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 112.093 -2.321 . . . . 71.13 114.375 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtm -132.2 141.56 49.12 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 106.516 -1.661 . . . . 71.12 106.516 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p -95.62 -26.51 15.72 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.264 0.626 . . . . 74.15 112.334 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.67 121.19 66.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.752 0.821 . . . . 63.52 108.847 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -134.37 143.29 47.55 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.114 -1.439 . . . . 63.33 107.114 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -82.29 -13.16 57.42 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.299 1.04 . . . . 72.33 113.581 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.45 -23.36 53.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 117.216 2.302 . . . . 73.2 117.216 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.85 -46.03 99.57 Favored Pre-proline 0 C--N 1.351 0.653 0 CA-C-O 116.264 -1.827 . . . . 73.13 115.007 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.95 -25.88 38.15 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 CA-C-N 125.102 2.858 . . . . 71.31 114.52 168.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.6 mtt -75.45 -43.02 51.81 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.048 1.295 . . . . 63.45 112.39 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -32.56 66.46 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 121.286 -0.883 . . . . 41.13 111.458 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.45 94.23 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.565 -0.709 . . . . 50.23 112.689 169.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.5 t -61.39 -46.3 90.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.224 -1.028 . . . . 54.2 108.224 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -59.13 -43.18 91.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.064 -1.647 . . . . 73.33 112.229 -172.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -76.65 -39.85 51.01 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.289 1.218 . . . . 64.32 114.289 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.77 -38.94 86.97 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 126.7 2.0 . . . . 63.51 110.345 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.0 mt -83.32 -7.74 59.54 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.059 -0.973 . . . . 72.55 110.068 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.99 45.44 21.18 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.722 2.409 . . . . 60.24 113.385 -174.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.65 158.07 46.26 Favored Pre-proline 0 C--N 1.349 0.586 0 C-N-CA 124.115 0.966 . . . . 73.2 109.399 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -74.71 165.84 30.65 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.328 2.019 . . . . 71.14 113.35 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 128.231 2.612 . . . . 71.21 110.092 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.15 70.36 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.441 1.896 . . . . 74.14 113.734 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.0 m -101.56 -21.99 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 O-C-N 120.28 -1.513 . . . . 75.4 112.163 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.87 -32.48 73.02 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.159 -1.588 . . . . 74.35 110.805 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -75.92 -16.16 60.07 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.968 -1.083 . . . . 73.43 112.574 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.41 -38.17 79.92 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.234 -0.916 . . . . 72.1 112.619 168.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.83 -40.6 93.39 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.605 1.335 . . . . 73.41 114.605 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -63.58 -44.41 94.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.078 -1.639 . . . . 73.02 113.139 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -65.76 -24.12 66.88 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 127.174 2.19 . . . . 72.02 114.618 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.93 2.092 . . . . 74.15 111.817 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -81.42 -7.45 59.58 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.549 0.74 . . . . 65.0 111.969 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -64.02 134.26 54.67 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.143 -0.973 . . . . 63.53 111.844 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.91 125.34 24.1 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 120.391 -1.443 . . . . 74.41 112.435 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.47 -0.66 87.56 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 115.1 0.8 . . . . 74.55 115.1 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -89.0 132.6 34.66 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.454 1.627 . . . . 75.53 110.688 -171.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -94.56 117.14 29.67 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 123.319 1.533 . . . . 75.52 110.45 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.3 mm -105.35 122.64 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 124.459 1.104 . . . . 73.11 109.323 164.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -126.47 5.66 6.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.336 1.054 . . . . 62.43 110.707 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -91.77 130.58 37.53 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.864 0.866 . . . . 73.14 111.541 -167.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.2 -32.33 71.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.053 1.741 . . . . 74.14 113.763 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' CD ' HG11 ' A' ' 29' ' ' VAL . 13.5 mt-10 -62.34 -31.98 72.69 Favored 'General case' 0 CA--C 1.491 -1.318 0 N-CA-C 115.723 1.749 . . . . 75.33 115.723 170.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -41.22 86.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 121.798 0.809 . . . . 64.53 110.759 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.47 99.14 Favored Glycine 0 CA--C 1.49 -1.499 0 O-C-N 121.075 -1.015 . . . . 54.21 114.016 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 91.8 m -63.84 -41.49 97.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.537 1.135 . . . . 73.2 111.3 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.4 p -68.16 -39.33 81.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.986 -1.071 . . . . 73.15 112.281 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.44 -46.32 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 O-C-N 119.7 -1.875 . . . . 75.0 113.07 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.59 -29.09 68.35 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.447 1.647 . . . . 73.44 115.447 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.512 ' N ' HD12 ' A' ' 53' ' ' LEU . 41.8 t -65.56 -41.29 93.14 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 127.846 2.458 . . . . 73.31 113.788 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.7 mm? -60.65 -38.39 84.68 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 118.549 -2.595 . . . . 70.02 112.996 171.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.494 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.38 -35.49 67.77 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.544 1.538 . . . . 70.43 114.995 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -81.01 -24.21 38.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.586 -0.696 . . . . 71.31 112.479 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -103.65 34.57 2.93 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.82 2.048 . . . . 74.33 113.337 -172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 68' ' ' LEU . 88.5 mt -82.78 -17.36 44.4 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 119.649 -1.907 . . . . 73.41 110.668 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.4 -29.37 70.44 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 127.35 2.26 . . . . 73.13 110.854 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -28.32 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 128.367 2.667 . . . . 73.45 111.183 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 HD13 ' A' ' 68' ' ' LEU . 63.5 mt -73.22 160.86 31.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.906 2.082 . . . . 74.13 110.429 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.67 142.88 44.45 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 120.48 -1.387 . . . . 64.21 113.389 -174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.84 -29.23 70.44 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.793 -1.192 . . . . 62.51 113.961 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.68 -37.13 72.9 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.496 -1.378 . . . . 73.31 113.565 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -79.23 -10.82 59.91 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.704 -1.248 . . . . 63.34 112.573 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 62.5 26.56 15.8 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 127.987 2.515 . . . . 73.21 116.751 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -79.98 120.55 24.32 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 120.038 -1.664 . . . . 72.34 111.208 177.348 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -134.27 147.76 50.69 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 105.851 -1.907 . . . . 60.24 105.851 166.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.1 t60 -66.15 129.19 38.96 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.161 0.984 . . . . 74.42 110.892 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.12 -9.23 78.23 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.915 1.245 . . . . 61.34 115.617 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -109.18 27.97 8.98 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.973 1.386 . . . . 75.22 109.956 -169.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.63 83.73 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 114.595 1.332 . . . . 75.21 114.595 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.624 1.102 . . . . 74.53 112.901 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -71.25 -44.75 64.7 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.292 0.637 . . . . 74.34 112.356 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.7 -48.9 79.74 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.44 1.896 . . . . 74.15 113.0 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.89 96.02 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.931 0.892 . . . . 73.1 113.221 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.9 mtm -63.55 -37.46 87.39 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.879 1.066 . . . . 75.31 113.879 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.23 -24.49 67.89 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 120.493 -1.38 . . . . 71.33 113.249 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.89 13.67 21.91 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.574 1.55 . . . . 73.34 114.558 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.7 0.69 64.21 Favored Glycine 0 C--N 1.351 1.397 0 O-C-N 121.02 -1.05 . . . . 74.21 114.255 167.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.9 56.85 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.32 1.06 . . . . 75.21 111.18 164.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -81.42 170.41 16.0 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.611 -1.931 . . . . 73.44 108.17 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.62 -34.32 77.99 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.552 -1.342 . . . . 74.34 112.662 -173.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.46 84.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.423 1.889 . . . . 72.44 112.521 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -67.97 -39.18 83.39 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.902 1.281 . . . . 63.23 112.416 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.73 84.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 73.14 112.719 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.42 -28.99 65.48 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.843 -1.161 . . . . 74.24 112.005 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.55 -42.47 96.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.039 1.496 . . . . 74.44 115.039 171.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.472 HD12 ' OE1' ' A' ' 138' ' ' GLU . 53.6 mt -63.22 -41.83 99.18 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.438 1.926 . . . . 73.53 112.659 175.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.25 -39.59 94.27 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.193 -0.942 . . . . 65.33 111.648 172.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.687 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.8 t70 -66.54 -41.35 88.87 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.284 1.434 . . . . 73.21 114.774 176.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.06 -44.91 92.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 124.372 1.069 . . . . 45.44 109.295 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.38 -50.84 72.21 Favored 'General case' 0 CA--C 1.494 -1.188 0 C-N-CA 123.263 0.625 . . . . 71.24 110.986 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.687 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.8 p80 -75.15 -27.94 59.93 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 117.741 -1.583 . . . . 71.51 109.469 -169.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.46 -43.98 88.62 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.672 -1.604 . . . . 74.41 111.42 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.6 m -66.31 -32.91 74.6 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.046 1.338 . . . . 61.34 114.317 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.54 -25.05 67.04 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.725 1.21 . . . . 72.33 112.346 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.04 -40.24 60.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.056 1.742 . . . . 70.34 109.956 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.7 m -95.7 -29.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 C-N-CA 123.566 0.746 . . . . 34.12 111.356 -165.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.42 155.21 7.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 122.658 1.218 . . . . 74.23 113.38 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.2 m -67.55 121.86 16.76 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.83 -1.169 . . . . 63.43 111.386 164.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.9 mt -102.31 131.58 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 C-N-CA 128.955 2.902 . . . . 74.14 103.476 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.49 128.54 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 105.917 -1.883 . . . . 71.15 105.917 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.83 88.47 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 114.744 1.387 . . . . 72.44 114.744 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.02 -37.79 88.78 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.626 1.57 . . . . 71.45 114.652 176.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -129.46 89.64 46.64 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-O 118.38 -0.819 . . . . 62.52 108.876 -161.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.02 -13.23 36.15 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 C-N-CA 122.765 2.31 . . . . 73.1 112.541 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.9 -43.68 78.73 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.298 1.439 . . . . 74.04 110.329 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -45.81 93.31 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 121.282 -0.886 . . . . 72.44 112.395 169.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.0 m -57.02 -46.78 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 112.704 0.631 . . . . 41.14 112.704 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.018 2.229 . . . . 75.42 117.018 171.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -45.25 84.17 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.282 -1.511 . . . . 72.24 112.621 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.8 -41.62 99.37 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.625 0.77 . . . . 64.14 109.761 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.6 -46.06 87.48 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.097 -1.002 . . . . 51.24 112.279 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.27 99.74 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 124.808 1.243 . . . . 61.5 110.799 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.73 -28.54 62.71 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.941 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.12 -46.61 64.44 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 120.084 1.311 . . . . 72.32 113.706 166.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.36 -47.89 75.06 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 115.161 1.541 . . . . 74.04 115.161 174.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 123' ' ' ILE . 34.3 ttpt -62.44 -32.75 73.66 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 122.03 0.919 . . . . 74.05 110.745 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.52 96.49 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 122.208 1.004 . . . . 74.4 112.062 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.44 -45.99 74.42 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 124.981 1.313 . . . . 70.1 114.436 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -65.2 -24.27 34.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 119.282 -2.136 . . . . 75.22 114.37 174.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -65.21 -35.64 81.7 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.22 -0.925 . . . . 64.05 111.484 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -76.24 -24.99 54.59 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.908 -1.12 . . . . 75.41 112.43 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -68.17 153.51 43.59 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 127.434 2.293 . . . . 70.44 114.784 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.59 0.39 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.442 1.097 . . . . 73.24 111.776 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -129.46 155.45 45.7 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.337 -1.357 . . . . 75.1 107.337 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.96 119.55 40.65 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.433 -0.794 . . . . 72.52 111.068 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -69.85 151.89 68.71 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.427 2.085 . . . . 63.24 108.994 156.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.8 p -86.34 168.5 13.8 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 106.646 -1.612 . . . . 70.42 106.646 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.7 -28.93 70.29 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.26 -1.525 . . . . 74.03 113.002 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.85 -40.85 94.42 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.721 -1.237 . . . . 74.41 112.164 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.47 -44.48 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 126.227 1.811 . . . . 71.33 113.082 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.77 -47.26 81.67 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.535 1.061 . . . . 71.04 112.418 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 m -77.11 -33.2 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 121.484 -0.76 . . . . 73.14 109.318 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.26 99.84 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 119.464 -0.631 . . . . 65.13 114.096 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.472 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.0 mt-10 -63.85 -38.12 89.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.989 1.395 . . . . 70.42 113.661 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.6 mt -63.74 -51.32 65.44 Favored 'General case' 0 CA--C 1.477 -1.848 0 C-N-CA 124.682 1.193 . . . . 71.5 112.856 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 56' ' ' ALA . 27.0 mt -68.46 -40.72 80.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.154 -1.385 . . . . 63.14 111.117 -177.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.87 85.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.188 -1.57 . . . . 50.45 114.273 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.57 23.4 5.34 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.869 -1.144 . . . . 62.33 112.34 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.551 HG22 ' CE1' ' A' ' 70' ' ' HIS . 11.9 t . . . . . 0 C--O 1.265 1.881 0 O-C-N 119.383 -2.073 . . . . 51.12 113.849 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.517 2.889 0 N-CA-C 118.222 2.675 . . . . 53.21 118.222 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -93.56 118.52 31.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 121.021 -1.049 . . . . 71.15 108.837 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 47.63 27.0 0.93 Allowed 'General case' 0 C--N 1.353 0.737 0 C-N-CA 130.746 3.618 . . . . 70.15 115.553 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.33 -45.03 97.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 125.596 1.558 . . . . 71.1 112.505 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -67.4 -21.64 65.58 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.568 2.062 . . . . 73.12 116.568 -146.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -65.6 133.42 51.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.866 1.266 . . . . 75.12 110.168 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.41 -31.37 72.05 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 117.72 2.489 . . . . 61.1 117.72 -157.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 ttp -120.46 129.27 53.8 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.097 -1.075 . . . . 73.31 108.097 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.4 p -128.92 162.74 26.83 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.339 -1.356 . . . . 71.2 107.339 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 pt -126.23 155.63 36.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 108.445 -0.946 . . . . 65.32 108.445 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -65.2 -37.85 88.61 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.535 1.134 . . . . 72.2 113.727 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.98 -29.81 69.9 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.046 2.138 . . . . 74.42 111.962 -171.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.75 75.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 116.328 1.973 . . . . 71.32 116.328 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -63.63 -46.7 83.19 Favored Pre-proline 0 C--N 1.36 1.054 0 CA-C-N 120.704 1.593 . . . . 75.24 113.599 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.84 -26.57 44.58 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 124.226 2.545 . . . . 71.42 114.561 166.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.89 -43.93 70.79 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.983 1.265 . . . . 54.43 112.376 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.99 -30.59 63.91 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.925 -1.109 . . . . 71.24 111.851 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.22 99.73 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.591 0.756 . . . . 53.4 112.114 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.2 t -60.58 -47.0 88.15 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.56 -0.904 . . . . 72.42 108.56 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -59.57 -42.89 93.51 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.004 -1.685 . . . . 73.31 112.988 -172.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.83 -39.58 56.45 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 114.33 1.233 . . . . 75.42 114.33 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.46 -39.02 86.07 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 125.557 1.543 . . . . 74.13 110.86 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.9 mt -83.36 -12.52 56.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.342 -0.845 . . . . 72.23 110.116 -177.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.61 48.01 12.37 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.87 2.068 . . . . 53.5 113.133 -174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.2 157.9 47.78 Favored Pre-proline 0 C--N 1.347 0.495 0 C-N-CA 124.708 1.203 . . . . 62.21 108.358 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.97 167.19 27.82 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.71 2.273 . . . . 73.51 113.576 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.31 -33.23 73.26 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 128.239 2.616 . . . . 53.0 109.246 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.26 62.85 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 127.754 2.421 . . . . 51.32 113.882 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.7 m -100.96 -24.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 O-C-N 120.548 -1.345 . . . . 64.12 112.182 -173.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.0 ptm -65.93 -33.84 76.74 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.159 -1.588 . . . . 75.1 111.573 166.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.22 -20.28 61.58 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.349 0.87 . . . . 73.25 113.349 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -62.3 -38.4 89.26 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 113.401 0.889 . . . . 71.12 113.401 171.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD2' HG12 ' A' ' 52' ' ' ILE . 21.0 t80 -61.47 -44.31 97.33 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.112 1.153 . . . . 73.1 114.112 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.1 p90 -70.89 -35.02 72.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 119.746 -1.847 . . . . 75.52 115.57 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.65 -18.01 64.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.246 1.818 . . . . 64.05 114.053 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -57.56 -40.62 79.33 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.349 2.26 . . . . 73.44 111.259 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -80.07 -8.75 59.54 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.725 0.81 . . . . 64.14 111.41 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.65 127.14 30.69 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.065 -1.022 . . . . 62.22 112.074 175.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -68.6 131.3 44.99 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.234 -1.541 . . . . 72.22 111.089 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.57 -8.19 74.51 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 121.688 -0.632 . . . . 20.34 113.74 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -96.65 138.03 34.84 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 119.237 1.518 . . . . 74.41 112.579 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.51 123.19 49.72 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 122.891 1.329 . . . . 73.32 107.845 166.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.88 123.46 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.111 1.365 . . . . 62.43 107.924 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p -126.19 3.64 7.12 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.543 1.137 . . . . 54.2 111.078 -173.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.83 132.96 33.99 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 124.489 1.115 . . . . 45.54 111.873 -165.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -59.62 -33.33 71.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 126.463 1.905 . . . . 73.21 113.495 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.516 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.0 mt-10 -63.34 -31.63 72.83 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 116.384 1.994 . . . . 64.42 116.384 169.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.26 84.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 121.863 0.839 . . . . 43.12 110.738 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.41 -41.02 99.48 Favored Glycine 0 CA--C 1.492 -1.403 0 O-C-N 121.044 -1.035 . . . . 75.11 113.944 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.26 -41.5 96.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.893 1.277 . . . . 72.42 111.244 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 5.5 p -69.01 -39.14 79.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 121.138 -0.976 . . . . 72.53 112.17 172.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.1 mt -60.11 -46.25 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 O-C-N 119.353 -2.092 . . . . 65.23 113.327 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -67.33 -29.13 68.61 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.098 1.518 . . . . 74.41 115.098 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.1 t -66.07 -41.62 90.49 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 127.93 2.492 . . . . 53.31 114.619 171.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.45 -38.86 85.51 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 118.625 -2.547 . . . . 73.44 112.759 172.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.514 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.91 -37.25 68.65 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 125.847 1.659 . . . . 63.15 114.484 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -81.46 -17.64 48.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.541 -0.724 . . . . 74.22 112.353 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -109.19 31.29 5.84 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.977 1.711 . . . . 72.33 112.918 -172.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 68' ' ' LEU . 92.2 mt -81.23 -24.2 37.54 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.338 -2.101 . . . . 73.11 110.485 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.39 -15.28 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.339 1.456 . . . . 73.22 112.975 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -26.62 62.57 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 126.758 2.023 . . . . 62.23 112.003 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD12 HD13 ' A' ' 68' ' ' LEU . 57.1 mt -74.44 161.33 29.92 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.682 1.993 . . . . 72.42 110.902 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.92 147.13 31.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.551 -1.343 . . . . 72.15 110.271 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.49 -29.91 70.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 114.754 1.39 . . . . 74.03 114.754 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -58.63 -34.65 71.41 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.127 -1.608 . . . . 73.11 113.68 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -79.39 -13.71 59.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.811 -1.181 . . . . 70.01 112.984 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 63.36 24.25 14.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 128.548 2.739 . . . . 74.43 116.514 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.44 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -83.67 122.45 28.63 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.004 -1.685 . . . . 55.03 110.733 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -140.35 151.04 44.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.116 -1.438 . . . . 74.33 107.116 166.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.81 129.39 39.75 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.184 0.992 . . . . 74.25 113.271 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.88 -9.81 74.88 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.264 1.411 . . . . 42.35 115.372 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -106.85 24.77 12.21 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.242 1.521 . . . . 75.35 111.752 -167.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.81 83.82 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 114.872 1.434 . . . . 71.1 114.872 -172.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.9 mtp -61.72 -41.22 97.33 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.523 1.056 . . . . 71.13 112.514 -175.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.52 -44.78 66.88 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 113.318 0.858 . . . . 72.24 113.318 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.6 -47.66 85.21 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 127.13 2.172 . . . . 61.54 112.835 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.68 93.16 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 113.621 0.971 . . . . 72.53 113.621 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.7 -35.83 81.85 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 114.04 1.126 . . . . 50.01 114.04 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.04 -28.25 68.92 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.767 -1.208 . . . . 72.21 112.788 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -94.97 14.64 21.07 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.784 1.634 . . . . 70.03 114.689 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.74 63.13 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 121.113 -0.992 . . . . 74.12 114.026 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.51 141.44 57.88 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.35 1.075 . . . . 72.32 111.567 164.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -81.4 170.37 16.06 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.503 -1.998 . . . . 73.54 108.344 168.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.76 -34.58 78.66 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.576 -1.327 . . . . 72.53 112.624 -172.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.39 84.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.337 1.855 . . . . 74.14 112.297 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.3 mtt -68.24 -39.23 82.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.972 1.309 . . . . 71.23 112.407 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.51 85.92 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.934 0.894 . . . . 73.42 112.847 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.17 -28.57 65.43 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.633 -1.292 . . . . 71.32 112.07 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -60.55 -42.42 96.53 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 115.016 1.487 . . . . 65.45 115.016 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.16 -41.82 99.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 121.433 1.924 . . . . 64.11 112.328 175.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.09 -39.76 94.75 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.979 -1.076 . . . . 73.21 111.814 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.0 t70 -66.39 -41.23 89.68 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.453 1.501 . . . . 63.02 114.898 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.0 -44.9 92.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.298 1.039 . . . . 75.01 109.266 172.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.51 -50.62 73.1 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 123.372 0.669 . . . . 71.3 111.099 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 13.1 p80 -74.87 -27.99 60.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 117.69 -1.604 . . . . 63.32 109.664 -170.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -43.84 88.97 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.741 -1.572 . . . . 64.2 111.285 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.5 m -66.15 -32.64 74.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.98 1.312 . . . . 71.41 114.483 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.52 -24.6 66.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.847 1.259 . . . . 65.41 112.397 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -75.27 -40.06 59.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.227 1.811 . . . . 73.5 109.946 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 25.4 m -96.52 -29.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 123.557 0.743 . . . . 73.43 111.309 -165.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.11 154.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-O 122.648 1.213 . . . . 73.42 113.402 173.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.1 m -67.1 122.79 18.56 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.814 -1.179 . . . . 73.54 111.502 164.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.4 mt -103.19 131.92 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 C-N-CA 128.978 2.911 . . . . 74.41 103.456 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -113.19 127.77 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.712 0 N-CA-C 106.291 -1.744 . . . . 75.1 106.291 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.82 93.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.485 1.291 . . . . 52.12 114.485 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.14 -40.18 95.6 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.885 1.674 . . . . 60.11 113.534 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -130.7 95.67 25.59 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-O 117.903 -1.046 . . . . 71.21 109.976 -159.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.21 -13.51 38.1 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-N 123.331 2.225 . . . . 75.22 112.776 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.61 -44.63 77.58 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.782 1.233 . . . . 71.25 110.837 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.57 93.0 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.358 1.063 . . . . 71.31 111.701 171.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -57.1 -46.8 82.29 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.503 0.592 . . . . 64.43 112.595 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -46.83 76.58 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.958 2.207 . . . . 75.44 116.958 171.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.15 86.0 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.405 -1.434 . . . . 74.12 112.467 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.21 -41.51 99.15 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.644 0.778 . . . . 71.14 109.836 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.53 -45.96 88.17 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 121.255 -0.903 . . . . 71.11 112.357 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.1 99.71 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.842 1.257 . . . . 63.1 110.776 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -72.25 -29.03 63.53 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.891 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.29 -46.57 64.04 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 120.568 -1.332 . . . . 71.25 113.776 167.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.6 t80 -55.22 -48.26 74.16 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.245 1.572 . . . . 71.32 115.245 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HA ' HG12 ' A' ' 123' ' ' ILE . 64.8 tttm -62.5 -32.2 73.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.02 0.914 . . . . 62.03 111.151 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 122.328 1.061 . . . . 73.03 111.943 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -68.69 -46.16 69.74 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.582 1.553 . . . . 71.33 114.051 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.0 pt -64.68 -24.26 35.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 119.107 -2.246 . . . . 60.44 114.276 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.92 -32.63 74.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.293 1.037 . . . . 55.22 111.648 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -75.56 -26.94 58.38 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.946 -1.096 . . . . 74.32 112.601 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.6 mt -69.7 153.21 43.71 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.115 2.166 . . . . 73.5 115.406 -169.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.26 -0.48 54.83 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.93 1.292 . . . . 74.41 111.718 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -129.32 155.01 46.31 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.901 -1.518 . . . . 74.3 106.901 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.71 118.02 41.59 Favored Pre-proline 0 N--CA 1.443 -0.818 0 CA-C-O 118.536 -0.745 . . . . 54.2 111.307 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.4 147.72 65.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.267 1.978 . . . . 63.33 108.977 155.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.0 t -79.84 166.44 21.69 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 108.836 -0.802 . . . . 62.51 108.836 164.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.58 -33.56 74.1 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 120.807 -1.183 . . . . 63.51 111.456 -175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.39 -43.11 92.98 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.498 0.719 . . . . 65.34 112.261 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 p -82.53 -44.69 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 126.999 2.12 . . . . 73.24 114.914 173.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.33 82.77 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.299 -0.876 . . . . 54.01 113.264 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.28 -29.22 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 N-CA-C 108.097 -1.075 . . . . 74.44 108.097 174.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.19 99.56 Favored Glycine 0 C--N 1.353 1.519 0 CA-C-O 119.033 -0.87 . . . . 64.14 113.979 -174.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.455 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.42 -36.9 85.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.426 1.613 . . . . 75.14 113.395 173.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 119' ' ' PHE . 57.9 mt -62.63 -51.67 66.38 Favored 'General case' 0 CA--C 1.482 -1.661 0 N-CA-C 113.206 0.817 . . . . 75.12 113.206 171.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 56' ' ' ALA . 33.7 mt -69.43 -39.91 77.56 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.933 -1.03 . . . . 74.11 111.902 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.44 92.66 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 119.839 -1.788 . . . . 44.44 113.657 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -96.71 34.62 1.64 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.343 -0.848 . . . . 74.04 111.51 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.262 1.72 0 O-C-N 119.89 -1.756 . . . . 73.42 114.375 177.076 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.516 2.832 0 N-CA-C 114.639 1.348 . . . . 61.03 114.639 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.643 -1.285 . . . . 62.14 114.09 -168.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -92.13 7.78 40.9 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 123.852 0.861 . . . . 73.42 112.87 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.8 t -103.72 -52.16 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 108.141 -1.059 . . . . 62.13 108.141 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.2 ptm -66.53 -33.9 76.72 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.299 1.222 . . . . 65.1 114.299 -153.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -139.55 128.77 23.93 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.809 -2.663 . . . . 64.3 103.809 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.07 144.17 38.75 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.834 1.05 . . . . 73.21 113.834 -172.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.6 tpp -143.65 142.1 30.87 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 107.418 -1.327 . . . . 73.22 107.418 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -143.74 156.57 44.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 105.613 -1.995 . . . . 72.41 105.613 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.54 159.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 108.131 -1.063 . . . . 72.32 108.131 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -154.67 157.22 37.8 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 104.897 -2.261 . . . . 73.21 104.897 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -65.06 -22.45 66.97 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.273 1.029 . . . . 74.34 113.589 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.76 68.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 115.997 1.851 . . . . 70.32 115.997 168.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -63.02 -44.85 86.06 Favored Pre-proline 0 C--N 1.352 0.694 0 CA-C-O 116.223 -1.846 . . . . 62.14 114.378 -174.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -68.15 -27.55 35.27 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 125.362 2.951 . . . . 74.31 112.913 167.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.0 ttp -77.71 -40.02 42.66 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 119.407 1.003 . . . . 73.04 112.016 -169.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.56 -32.82 73.01 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.217 -0.927 . . . . 75.41 111.768 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.07 94.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.485 1.114 . . . . 44.53 111.851 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.35 -0.61 8.49 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 115.186 1.55 . . . . 74.5 115.186 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -91.28 -48.19 7.06 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 119.627 -1.921 . . . . 74.32 110.237 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.45 -36.82 44.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 119.872 -1.768 . . . . 70.42 114.549 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.6 -37.8 79.55 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 127.731 2.412 . . . . 72.04 110.44 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.38 -10.13 52.92 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.164 -1.38 . . . . 61.02 109.288 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.52 46.68 14.56 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.919 2.088 . . . . 73.45 113.121 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.68 157.89 46.78 Favored Pre-proline 0 C--N 1.348 0.504 0 C-N-CA 124.369 1.068 . . . . 74.2 109.36 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.2 Cg_endo -74.41 166.34 29.69 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.552 2.168 . . . . 75.13 113.504 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.06 -28.99 70.46 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.328 2.651 . . . . 74.54 109.805 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.35 68.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 127.35 2.26 . . . . 72.23 113.487 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 47' ' ' GLU . 10.2 m -99.79 -22.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 120.223 -1.548 . . . . 74.42 112.058 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.1 ptm -66.95 -32.24 73.36 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.115 -1.616 . . . . 74.1 112.138 166.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -76.51 -15.24 59.93 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.734 -1.228 . . . . 71.04 113.229 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.66 -37.75 79.57 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.063 -1.023 . . . . 71.14 112.809 167.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -60.26 -39.91 88.46 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.175 1.39 . . . . 74.03 114.509 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.86 -44.5 95.96 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 120.143 -1.598 . . . . 75.32 113.617 171.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -65.84 -25.39 67.18 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 127.015 2.126 . . . . 74.21 114.159 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.78 -41.81 78.31 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 127.096 2.158 . . . . 73.01 112.236 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -80.11 -9.56 59.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.578 -0.701 . . . . 74.54 111.937 -174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.85 131.69 49.66 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.004 0.922 . . . . 75.45 112.443 177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -66.02 128.56 36.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.418 -1.426 . . . . 74.22 110.962 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.94 -7.37 79.03 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.512 -0.742 . . . . 42.12 114.555 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -91.85 138.59 31.43 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.628 1.714 . . . . 74.24 113.167 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -114.64 115.36 27.01 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.804 -1.184 . . . . 55.34 107.804 168.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.56 125.94 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 124.431 1.092 . . . . 74.41 108.633 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -118.73 1.58 11.61 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.386 1.074 . . . . 71.35 111.966 -174.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -85.01 130.38 34.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.295 -0.878 . . . . 73.44 111.589 -167.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -59.27 -32.77 70.31 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.957 2.103 . . . . 74.42 113.262 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.3 mt-10 -63.49 -30.87 71.93 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 116.278 1.955 . . . . 74.44 116.278 170.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.37 88.88 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 118.886 0.767 . . . . 34.44 111.47 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.34 95.05 Favored Glycine 0 CA--C 1.486 -1.742 0 O-C-N 120.164 -1.585 . . . . 71.25 112.917 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.3 -40.41 97.29 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.16 0.984 . . . . 64.34 111.114 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.27 -42.89 84.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 121.233 -0.917 . . . . 75.24 112.021 170.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.45 -45.62 96.53 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 O-C-N 120.891 -1.13 . . . . 72.43 111.859 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.14 -28.25 67.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 114.774 1.398 . . . . 62.24 114.774 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 47.2 t -62.54 -42.34 99.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.555 1.542 . . . . 74.3 111.943 175.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -38.35 84.92 Favored 'General case' 0 C--N 1.367 1.353 0 CA-C-N 120.884 1.675 . . . . 73.5 113.538 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.38 -36.94 71.88 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 126.338 1.855 . . . . 74.11 115.182 -173.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.23 -40.38 77.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.268 0.84 . . . . 73.41 113.268 168.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -98.21 38.8 1.28 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.82 1.648 . . . . 43.13 112.508 -167.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 68' ' ' LEU . 96.8 mt -79.52 -29.35 41.45 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-O 123.422 1.582 . . . . 74.25 111.289 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.85 -16.88 64.23 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.24 1.416 . . . . 73.24 111.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.19 -25.71 52.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.89 2.076 . . . . 71.12 110.831 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.6 mt -67.16 162.58 22.13 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 128.212 2.605 . . . . 72.12 110.965 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -66.77 120.96 14.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.868 -1.145 . . . . 64.22 111.207 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.83 -25.28 66.51 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.168 1.387 . . . . 53.11 113.801 -169.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.51 -33.92 64.18 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.62 1.968 . . . . 73.1 113.245 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptm -80.21 -10.05 59.74 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.899 1.227 . . . . 74.01 111.851 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 64.29 26.96 13.78 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.214 3.006 . . . . 75.23 115.773 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.21 122.41 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.823 -1.798 . . . . 73.21 112.596 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -140.84 153.46 45.77 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.201 -1.407 . . . . 61.42 107.201 164.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.44 129.15 39.37 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.275 1.036 . . . . 72.23 112.724 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.85 -10.58 74.21 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 124.317 0.96 . . . . 73.4 114.333 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.08 23.8 11.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.709 1.203 . . . . 63.11 110.567 -174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.73 79.99 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.564 1.32 . . . . 61.21 114.564 -173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.48 -40.44 94.55 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 119.718 1.144 . . . . 60.14 112.497 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -71.06 -44.75 65.12 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.462 0.912 . . . . 72.21 113.462 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.96 -47.68 84.79 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.767 2.027 . . . . 74.24 113.324 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.54 93.89 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 120.993 -1.067 . . . . 73.4 113.138 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.2 mtp -63.41 -36.23 83.04 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.717 1.207 . . . . 74.33 113.434 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.52 -27.61 68.72 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.778 -1.201 . . . . 65.45 112.252 172.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -94.19 13.15 24.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.903 1.681 . . . . 63.11 114.355 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.68 63.94 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 121.09 -1.006 . . . . 74.43 114.414 167.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.56 58.04 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 118.51 1.155 . . . . 75.0 111.535 164.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -81.07 169.1 17.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.565 -1.959 . . . . 73.33 108.039 168.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.94 -34.63 78.88 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.643 -1.286 . . . . 71.4 112.625 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.32 86.93 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.369 1.868 . . . . 53.03 112.432 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.1 mtt -68.12 -39.42 82.76 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.921 1.289 . . . . 64.45 112.561 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.45 86.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.796 0.838 . . . . 62.1 113.078 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -69.08 -29.51 67.64 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.695 -1.253 . . . . 75.23 112.034 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.49 -42.26 95.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.782 1.401 . . . . 73.4 114.782 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.453 HD12 ' OE1' ' A' ' 138' ' ' GLU . 39.4 mt -63.18 -41.66 99.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 121.384 1.902 . . . . 74.23 112.927 176.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.45 -39.55 94.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.852 0.861 . . . . 44.31 111.467 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.7 t70 -66.88 -41.14 87.73 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 114.815 1.413 . . . . 75.02 114.815 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.95 -44.84 91.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 124.434 1.093 . . . . 61.15 109.385 171.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.1 -50.86 72.02 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 123.368 0.667 . . . . 70.21 111.169 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.5 p80 -75.7 -27.68 58.32 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.788 -1.565 . . . . 73.03 109.226 -169.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -43.98 89.59 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.835 -1.53 . . . . 74.34 111.24 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.483 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.9 m -66.59 -32.34 73.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.64 1.348 . . . . 72.43 114.64 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.55 -26.07 67.71 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.809 1.244 . . . . 71.42 112.209 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -75.69 -42.11 51.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.801 1.64 . . . . 74.34 109.675 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 97' ' ' CYS . 22.1 m -87.66 -33.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 C-N-CA 123.438 0.695 . . . . 73.5 111.998 -169.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.89 155.48 7.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 122.67 1.224 . . . . 75.14 113.912 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.4 m -66.95 122.31 17.44 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.846 -1.159 . . . . 72.43 111.525 164.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.19 132.27 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 C-N-CA 128.771 2.828 . . . . 71.11 103.836 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 t -113.52 128.39 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 106.148 -1.797 . . . . 63.44 106.148 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.32 89.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.132 1.16 . . . . 75.2 114.132 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.57 -37.9 89.16 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.751 1.62 . . . . 63.21 114.466 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 96.6 23.26 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.757 -1.116 . . . . 64.14 109.306 -162.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.42 -13.57 37.87 Favored 'Trans proline' 0 C--N 1.326 -0.646 0 CA-C-N 123.797 2.392 . . . . 65.15 112.913 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.33 -44.86 74.43 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.821 1.249 . . . . 40.03 110.995 -176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.54 93.14 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.391 1.077 . . . . 54.4 111.687 172.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 m -56.88 -46.2 82.02 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.067 0.394 . . . . 62.41 111.494 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.9 tpp -65.22 -49.52 69.37 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.691 -1.256 . . . . 71.53 114.039 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -45.51 78.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.853 1.261 . . . . 71.53 112.484 -176.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.73 -41.58 99.24 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.727 0.811 . . . . 71.32 109.62 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.33 -46.04 88.45 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 121.267 -0.896 . . . . 72.01 112.451 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.41 99.56 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.047 1.339 . . . . 63.45 110.49 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.4 ptm -73.88 -28.9 61.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.189 -0.459 . . . . 53.53 110.772 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.22 -46.49 67.25 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.674 -1.266 . . . . 63.43 113.511 166.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.0 t80 -54.8 -47.93 73.39 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 115.225 1.565 . . . . 70.42 115.225 173.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.82 -30.84 71.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 123.572 0.749 . . . . 74.45 112.045 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.453 1.12 . . . . 65.44 111.93 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.73 -46.79 71.18 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.456 1.502 . . . . 65.45 114.666 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.26 -20.64 26.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 118.645 -2.535 . . . . 72.42 115.524 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -63.05 -38.82 92.72 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.155 -0.966 . . . . 72.34 111.394 168.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -76.74 -26.05 54.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.431 -0.793 . . . . 75.2 113.134 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.4 mt -67.1 153.25 44.13 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.983 2.113 . . . . 72.42 114.883 -176.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.02 -0.3 53.95 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.478 1.111 . . . . 55.24 111.792 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -128.95 154.43 46.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.971 -1.492 . . . . 60.21 106.971 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.52 119.57 39.58 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.392 -0.813 . . . . 73.4 110.823 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 135' ' ' ALA . 72.2 Cg_endo -69.67 151.03 69.49 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.451 2.101 . . . . 75.22 109.26 158.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -87.35 169.13 12.53 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 106.902 -1.518 . . . . 71.13 106.902 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.0 -26.96 69.1 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.262 -1.524 . . . . 63.54 113.168 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.4 -40.48 94.54 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.56 -1.338 . . . . 43.43 112.212 174.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.38 -43.96 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 126.231 1.812 . . . . 63.45 113.15 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.68 -47.63 80.44 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 119.466 1.03 . . . . 74.24 112.571 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -33.72 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 109.037 -0.727 . . . . 51.44 109.037 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.89 99.68 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 121.765 -0.584 . . . . 51.45 113.838 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.6 mt-10 -64.43 -37.79 88.76 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.742 1.271 . . . . 53.41 113.74 174.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.1 mt -63.5 -51.57 64.99 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 124.549 1.14 . . . . 74.41 112.657 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.1 mt -68.35 -42.29 79.46 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.01 -1.45 . . . . 71.31 111.263 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.3 77.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 120.52 -1.363 . . . . 75.13 114.243 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -91.32 21.16 4.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.743 -1.223 . . . . 63.3 112.193 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.266 1.949 0 O-C-N 119.389 -2.069 . . . . 63.15 113.914 178.241 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.515 2.79 0 N-CA-C 114.545 1.313 . . . . 71.32 114.545 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -62.23 -43.16 99.46 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.551 1.54 . . . . 73.3 114.328 -167.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -94.99 9.91 37.62 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.264 1.026 . . . . 63.54 112.898 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.78 -55.52 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 106.226 -1.768 . . . . 64.4 106.226 -176.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.5 mtt 55.19 35.09 24.08 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 130.804 3.641 . . . . 54.12 115.176 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -138.67 140.9 38.99 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 106.182 -1.785 . . . . 63.3 106.182 175.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -119.79 158.45 26.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 124.082 0.953 . . . . 73.23 110.363 -175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.35 157.78 45.02 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.33 -0.989 . . . . 62.25 108.33 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -75.8 -42.21 50.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.556 1.317 . . . . 63.43 114.556 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.91 156.45 42.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 C-N-CA 123.734 0.814 . . . . 75.52 109.816 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -62.41 -36.65 83.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.109 1.363 . . . . 71.25 112.871 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.36 -19.34 65.91 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.759 1.624 . . . . 63.21 113.482 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.98 90.25 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 116.393 1.997 . . . . 72.43 116.393 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.71 -46.48 82.57 Favored Pre-proline 0 C--N 1.353 0.718 0 CA-C-O 116.612 -1.661 . . . . 74.41 114.228 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.92 -28.63 29.16 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 CA-C-N 124.745 2.73 . . . . 72.54 114.428 165.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mtp -66.28 -42.81 87.88 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 121.939 2.154 . . . . 73.33 114.775 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.74 -32.47 71.02 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.78 -1.2 . . . . 74.52 111.509 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.87 91.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 123.913 0.885 . . . . 55.33 112.39 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -74.12 -0.93 18.14 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.897 1.279 . . . . 74.52 113.779 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -48.47 7.97 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 119.582 -1.949 . . . . 65.12 110.32 164.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.68 -37.49 35.72 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.94 -1.725 . . . . 52.11 114.471 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.63 -38.03 80.25 Favored 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 128.172 2.589 . . . . 52.15 110.211 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.1 -6.96 56.67 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.213 -1.358 . . . . 73.14 109.435 -174.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.63 46.23 20.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.071 2.548 . . . . 62.21 113.898 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.53 160.27 36.92 Favored Pre-proline 0 C--N 1.35 0.621 0 C-N-CA 124.349 1.06 . . . . 74.54 110.284 -173.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HG2' HG13 ' A' ' 29' ' ' VAL . 70.1 Cg_endo -72.35 165.21 33.33 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.684 2.256 . . . . 74.34 113.918 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.41 -30.58 71.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.684 2.794 . . . . 60.13 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.2 70.09 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 127.549 2.34 . . . . 72.34 113.03 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.59 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.4 m -85.39 -34.9 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.685 -1.259 . . . . 63.45 112.802 -177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptm -66.09 -31.93 73.1 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.709 -1.87 . . . . 73.52 112.124 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -72.03 -20.32 61.71 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 121.909 0.862 . . . . 74.02 113.154 178.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.78 -38.81 92.07 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.439 -0.788 . . . . 74.33 113.043 172.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -61.34 -43.79 98.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.493 1.294 . . . . 72.41 114.493 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.1 p90 -71.61 -36.12 70.7 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 115.435 1.643 . . . . 73.13 115.435 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.43 -24.18 67.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.427 1.491 . . . . 70.21 113.791 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -56.53 -39.83 74.04 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 127.703 2.401 . . . . 74.24 111.637 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -75.4 -13.37 60.39 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.722 0.809 . . . . 75.45 112.426 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.63 126.25 27.31 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.16 -0.962 . . . . 73.41 109.737 168.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.06 127.72 34.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.344 -1.472 . . . . 73.21 114.635 -164.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.74 -10.78 58.9 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.198 -0.91 . . . . 34.1 113.592 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.61 134.02 51.47 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.125 1.463 . . . . 73.51 113.025 -168.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -88.06 78.82 8.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 122.527 1.156 . . . . 72.24 113.811 -162.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.77 119.31 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 122.022 0.915 . . . . 63.4 109.486 172.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p -128.46 0.91 5.63 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.552 1.541 . . . . 45.3 110.777 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -83.75 127.75 34.03 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 124.351 1.06 . . . . 72.42 109.653 -169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -58.6 -34.0 70.63 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 126.32 1.848 . . . . 71.41 113.761 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.6 -22.33 64.45 Favored 'General case' 0 CA--C 1.475 -1.922 0 N-CA-C 117.341 2.349 . . . . 75.31 117.341 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.5 66.26 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.386 0.994 . . . . 73.14 109.385 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.28 97.82 Favored Glycine 0 CA--C 1.491 -1.409 0 CA-C-O 117.903 -1.498 . . . . 53.32 113.822 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.3 m -67.12 -37.83 84.54 Favored 'General case' 0 C--N 1.369 1.434 0 CA-C-N 120.198 1.999 . . . . 74.22 111.404 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.33 -41.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.145 -0.972 . . . . 64.43 112.156 171.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.1 mt -60.06 -45.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 120.325 -1.484 . . . . 75.11 112.902 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.2 pp -67.38 -28.18 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.104 1.52 . . . . 75.11 115.104 176.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.446 ' N ' HD12 ' A' ' 53' ' ' LEU . 48.0 t -64.93 -41.24 95.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.939 1.696 . . . . 52.24 113.09 171.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.85 -39.9 86.76 Favored 'General case' 0 C--N 1.366 1.326 0 CA-C-N 122.524 2.42 . . . . 73.43 112.732 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.89 -36.27 69.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 125.475 1.51 . . . . 71.31 114.545 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -81.96 -12.82 58.17 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.537 0.94 . . . . 72.11 113.537 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.15 46.34 1.91 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.002 1.721 . . . . 63.5 112.911 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.0 mt -88.3 -17.65 30.22 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 125.624 1.57 . . . . 72.43 111.289 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -60.24 -37.86 81.69 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 128.938 2.895 . . . . 75.52 110.405 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.93 -28.91 70.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.97 2.908 . . . . 54.23 111.221 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.34 161.59 30.14 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.716 2.006 . . . . 71.21 109.387 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.88 135.41 41.52 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.963 -1.711 . . . . 74.21 108.686 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.19 -26.0 66.01 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.269 1.028 . . . . 71.42 113.632 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.49 -33.25 69.58 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.303 1.441 . . . . 73.44 113.702 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -79.51 -10.54 59.82 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 119.988 1.267 . . . . 63.21 111.902 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m120 64.01 28.21 14.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 129.357 3.063 . . . . 62.1 115.346 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 120.75 24.59 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.8 . . . . 65.13 111.383 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -136.7 153.11 50.97 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.74 -1.948 . . . . 72.13 105.74 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.73 131.05 47.62 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.4 1.095 . . . . 75.04 112.594 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.71 -12.36 67.42 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 124.642 1.115 . . . . 44.32 113.964 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.75 20.56 12.81 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.585 1.554 . . . . 62.25 110.748 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.79 78.94 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 125.286 1.434 . . . . 51.35 114.157 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.8 mtt -61.02 -41.08 95.86 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.444 1.02 . . . . 63.0 112.276 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.71 -44.6 63.88 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 113.449 0.907 . . . . 64.32 113.449 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.36 -47.44 86.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.192 2.197 . . . . 70.22 113.155 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.86 93.22 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 121.038 -1.039 . . . . 74.12 112.892 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 68.7 mtm -63.15 -36.09 82.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 113.967 1.099 . . . . 64.33 113.967 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.01 -28.14 68.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 120.836 -1.165 . . . . 71.23 112.291 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.25 13.39 25.69 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.85 1.66 . . . . 72.21 114.525 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.77 0.85 63.94 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 121.069 -1.019 . . . . 44.15 114.264 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.86 142.14 57.42 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.403 1.101 . . . . 73.13 111.313 163.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.01 170.17 16.58 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.456 -2.027 . . . . 62.25 108.308 169.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.51 -34.95 79.41 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.606 -1.309 . . . . 73.31 112.652 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.47 81.44 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.329 1.852 . . . . 70.41 112.316 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -70.32 -36.52 74.32 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.273 1.029 . . . . 54.33 112.103 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.45 85.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.997 0.919 . . . . 74.34 113.095 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.5 -27.3 64.09 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.43 -1.419 . . . . 72.03 112.365 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.37 -42.01 94.95 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 114.61 1.337 . . . . 70.32 114.61 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 138' ' ' GLU . 48.5 mt -63.36 -41.59 98.84 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 121.3 1.864 . . . . 74.31 112.693 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.4 -40.35 95.62 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.322 -0.861 . . . . 74.34 111.736 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.664 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 34.5 t70 -65.88 -41.49 91.49 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.574 1.55 . . . . 64.32 115.024 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.67 -44.81 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 124.43 1.092 . . . . 55.23 109.277 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 3.9 tttt -58.17 -54.22 49.39 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 123.134 0.573 . . . . 54.24 110.295 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.664 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 8.3 p80 -69.79 -31.69 69.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 120.927 -1.108 . . . . 73.04 109.589 -171.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -65.01 -43.62 91.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 114.207 -1.361 . . . . 75.14 111.167 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.9 m -66.11 -32.49 73.98 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.349 1.611 . . . . 65.31 115.349 173.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 35.6 mt-10 -60.7 -29.02 69.07 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.068 1.347 . . . . 70.14 111.013 -176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.93 -41.29 68.0 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.842 2.457 . . . . 73.21 110.357 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.5 m -94.97 -28.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.237 0.615 . . . . 53.15 111.187 -164.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.9 156.24 6.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-O 122.656 1.217 . . . . 42.14 113.894 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.0 m -67.51 123.28 19.99 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.934 -1.104 . . . . 73.44 111.675 163.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.3 131.75 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 128.85 2.86 . . . . 73.34 103.564 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.39 128.65 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 105.855 -1.906 . . . . 73.44 105.855 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.72 89.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 114.754 1.39 . . . . 63.21 114.754 170.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -65.0 -37.94 89.32 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.661 1.584 . . . . 64.15 114.735 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -128.9 92.99 38.27 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-O 118.272 -0.87 . . . . 74.51 108.844 -161.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.34 -13.96 36.6 Favored 'Trans proline' 0 C--N 1.331 -0.342 0 C-N-CA 122.71 2.273 . . . . 71.31 112.317 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 72.3 m -70.52 -43.37 69.77 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.225 1.41 . . . . 55.43 110.724 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.79 92.41 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.084 -1.01 . . . . 64.01 112.08 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.0 m -56.81 -45.63 82.15 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.534 0.607 . . . . 72.34 111.648 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.29 -50.41 65.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.308 1.225 . . . . 62.52 114.308 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.963 1.305 . . . . 63.33 112.729 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.34 -41.72 98.81 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.585 0.754 . . . . 75.11 109.689 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.39 -46.05 88.22 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 121.116 -0.99 . . . . 75.41 112.337 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.66 99.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 125.04 1.336 . . . . 64.51 110.761 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -72.38 -28.88 63.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 119.099 -0.476 . . . . 73.25 111.133 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.48 -46.22 64.18 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-N 120.124 1.329 . . . . 50.53 113.409 167.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.4 t80 -54.61 -48.0 72.73 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.719 1.378 . . . . 73.02 114.719 173.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.88 -32.3 73.53 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 124.006 0.922 . . . . 62.43 111.303 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.29 99.16 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 122.536 1.16 . . . . 61.21 112.008 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -68.38 -45.79 71.77 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.874 1.27 . . . . 74.22 114.358 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.03 -20.08 26.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 O-C-N 118.732 -2.48 . . . . 60.15 115.644 172.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.31 -40.25 95.7 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.278 1.031 . . . . 72.45 111.657 167.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 113.453 0.908 . . . . 62.41 113.453 -175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.7 mt -68.07 151.57 46.84 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.179 2.192 . . . . 71.35 115.826 -172.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.97 -0.45 48.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 113.642 -1.617 . . . . 75.32 112.587 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -133.39 155.67 49.05 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.226 -1.768 . . . . 74.42 106.226 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.66 39.97 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 118.443 -0.789 . . . . 71.34 110.956 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 150.73 68.59 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.331 2.02 . . . . 62.35 109.191 157.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -87.21 168.93 12.78 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 106.866 -1.531 . . . . 72.04 106.866 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.94 -26.99 69.08 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.271 -1.518 . . . . 62.04 113.1 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.9 -40.03 91.52 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.773 -1.204 . . . . 73.44 111.899 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.3 -43.91 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 C-N-CA 126.454 1.902 . . . . 72.31 113.34 -173.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.27 82.83 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.704 1.138 . . . . 72.23 112.62 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 m -77.33 -33.76 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 O-C-N 121.534 -0.729 . . . . 64.04 109.096 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.86 -41.17 99.61 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 121.652 -0.655 . . . . 71.3 113.859 -172.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.478 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.8 mt-10 -64.06 -38.03 89.6 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.741 1.271 . . . . 71.34 113.992 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.7 mt -63.56 -51.96 63.12 Favored 'General case' 0 CA--C 1.478 -1.798 0 C-N-CA 124.778 1.231 . . . . 74.53 112.57 174.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 56' ' ' ALA . 25.5 mt -68.34 -40.83 81.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 113.981 -1.463 . . . . 73.41 111.318 -176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.09 81.45 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.383 -1.448 . . . . 53.34 114.161 174.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -90.48 18.85 5.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.94 -1.1 . . . . 71.34 112.191 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.405 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 13.7 t . . . . . 0 C--O 1.266 1.952 0 O-C-N 119.587 -1.946 . . . . 75.52 114.108 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.517 2.912 0 N-CA-C 115.5 1.667 . . . . 71.41 115.5 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.62 -43.83 97.83 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 124.555 1.142 . . . . 74.22 113.623 -170.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -83.52 1.15 43.33 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 114.592 1.33 . . . . 74.22 114.592 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.32 -51.91 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.622 -1.251 . . . . 61.41 107.622 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.25 67.04 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 114.564 1.32 . . . . 72.35 114.564 -155.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 14.01 13.68 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 125.988 1.715 . . . . 74.33 115.373 -168.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.52 -35.83 80.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 127.36 2.264 . . . . 75.0 113.367 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.8 mtm -124.48 132.62 53.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 104.674 -2.343 . . . . 65.41 104.674 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -153.77 156.9 38.59 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.769 -1.197 . . . . 74.21 107.769 -176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt 73.19 110.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.842 0 C-N-CA 127.83 2.452 . . . . 72.3 114.074 173.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -144.48 131.76 20.72 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 102.335 -3.209 . . . . 74.12 102.335 159.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.8 p90 46.16 32.78 1.54 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.759 2.423 . . . . 73.5 116.719 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.19 81.04 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 118.238 2.681 . . . . 62.11 118.238 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.07 -46.54 91.54 Favored Pre-proline 0 C--N 1.349 0.583 0 CA-C-O 117.094 -1.431 . . . . 63.55 113.051 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.39 -26.11 29.65 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 CA-C-N 124.043 2.48 . . . . 75.44 114.991 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.69 -45.17 83.84 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 121.252 1.842 . . . . 74.25 114.154 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.06 -32.18 64.87 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 121.148 -0.97 . . . . 75.03 111.291 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.62 87.87 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.63 -0.7 . . . . 60.42 112.715 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 23' ' ' LEU . 10.4 t -60.94 -46.43 90.73 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.619 1.1 . . . . 72.02 108.275 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.98 -42.27 93.83 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.228 -1.545 . . . . 74.02 112.54 -171.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.05 -37.85 53.84 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.793 -1.192 . . . . 33.33 113.999 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.91 -39.33 81.2 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 127.164 2.186 . . . . 75.32 110.385 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.6 mt -86.32 -10.97 53.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.346 -0.843 . . . . 61.02 109.961 -175.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.2 47.09 14.86 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.547 1.939 . . . . 54.21 112.769 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.91 160.39 38.97 Favored Pre-proline 0 CA--C 1.511 -0.534 0 C-N-CA 125.061 1.344 . . . . 74.1 108.204 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.2 Cg_endo -74.1 173.77 13.55 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.086 1.858 . . . . 71.41 113.871 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.62 -40.06 82.24 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 129.646 3.179 . . . . 61.32 112.653 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.43 64.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 128.499 2.719 . . . . 35.33 113.641 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.1 m -101.49 -26.13 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 120.833 -1.167 . . . . 73.42 112.084 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -66.26 -31.6 72.51 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.121 -1.612 . . . . 73.02 111.926 167.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.534 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.7 -19.58 61.38 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 113.646 0.98 . . . . 75.54 113.646 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.09 -39.0 90.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.456 -0.777 . . . . 63.01 113.071 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.9 t80 -60.71 -43.89 97.24 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.06 1.133 . . . . 72.22 114.06 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 45.5 p90 -72.29 -35.6 68.73 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.677 1.732 . . . . 74.4 115.677 176.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.03 -24.64 67.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.737 1.615 . . . . 71.4 113.52 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.42 -39.2 69.94 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 128.493 2.717 . . . . 71.22 111.654 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -79.02 -11.66 60.01 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.701 0.8 . . . . 73.44 111.073 -173.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -67.94 125.18 25.49 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 121.244 -0.91 . . . . 73.54 109.331 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.61 126.83 30.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.602 -1.311 . . . . 75.32 114.288 -167.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.69 -13.04 67.74 Favored Glycine 0 C--N 1.353 1.507 0 C-N-CA 124.77 1.176 . . . . 74.14 113.906 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.21 135.09 51.47 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.317 1.558 . . . . 73.52 113.252 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -88.43 77.84 8.02 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.787 -1.196 . . . . 73.14 113.598 -165.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mm -91.47 117.22 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.97 0.891 . . . . 44.24 108.648 171.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -129.45 5.87 5.22 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 124.57 1.148 . . . . 74.51 110.088 -175.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -90.94 131.96 36.24 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.031 0.932 . . . . 74.13 111.696 -161.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -59.44 -33.23 71.01 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.636 1.974 . . . . 75.35 113.705 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.0 mt-10 -63.5 -29.81 71.03 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 116.508 2.04 . . . . 71.41 116.508 169.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.63 85.51 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.009 0.822 . . . . 73.43 111.392 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.28 94.94 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.325 -1.484 . . . . 54.15 113.462 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -63.63 -41.24 98.29 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.389 1.076 . . . . 73.41 110.92 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' HD23 ' A' ' 55' ' ' LEU . 6.7 p -69.94 -40.46 78.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 121.275 -0.89 . . . . 71.42 111.425 172.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.6 mt -59.9 -45.93 94.51 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 O-C-N 119.374 -2.079 . . . . 61.34 113.007 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 4.4 pp -67.39 -28.91 68.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 114.587 1.328 . . . . 74.43 114.587 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.41 -41.39 89.34 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 126.507 1.923 . . . . 74.43 114.171 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.6 mm? -61.0 -37.7 83.44 Favored 'General case' 0 C--N 1.367 1.333 0 O-C-N 118.917 -2.365 . . . . 75.31 112.192 173.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.26 -35.04 64.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.154 1.781 . . . . 53.45 115.368 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -82.74 -19.08 38.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.584 -0.698 . . . . 75.23 112.583 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -111.14 37.44 2.84 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.075 1.75 . . . . 71.44 112.783 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 68' ' ' LEU . 90.9 mt -84.42 -18.71 35.14 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 119.897 -1.752 . . . . 71.44 111.118 -177.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.18 -34.48 75.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.115 2.566 . . . . 70.53 109.651 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -28.06 69.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 128.55 2.74 . . . . 74.12 111.791 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD13 ' A' ' 68' ' ' LEU . 68.9 mt -69.43 159.28 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 126.814 2.046 . . . . 73.01 112.098 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.07 131.13 43.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.806 -1.184 . . . . 65.51 111.793 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.29 -26.36 67.73 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.265 1.209 . . . . 65.45 114.265 -174.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.32 -34.62 66.72 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.172 1.389 . . . . 53.43 113.493 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.5 ptm -81.22 -12.43 59.15 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.73 -1.231 . . . . 52.41 112.254 177.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.28 32.0 20.62 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.041 2.536 . . . . 71.24 116.187 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.8 122.33 27.55 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.246 -1.534 . . . . 74.12 110.821 176.262 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -141.16 149.41 41.45 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.974 -1.491 . . . . 70.32 106.974 165.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.541 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.7 t60 -65.49 130.87 44.84 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.597 1.159 . . . . 73.44 111.313 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.49 -11.71 70.58 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 124.12 0.867 . . . . 71.11 115.051 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.71 26.87 8.58 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.685 1.243 . . . . 74.04 110.55 -172.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.98 83.71 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 114.42 1.267 . . . . 73.21 114.42 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.8 mtp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 119.644 1.111 . . . . 75.31 112.326 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.44 -44.99 70.17 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.281 0.845 . . . . 74.55 113.281 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.57 -47.83 84.47 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.672 1.989 . . . . 72.23 113.102 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 121.131 -0.981 . . . . 75.21 113.087 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.2 mtm -63.7 -36.33 83.5 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 114.037 1.125 . . . . 72.24 114.037 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.18 -27.65 68.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.673 -1.267 . . . . 43.21 112.504 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -94.18 13.61 22.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.659 1.583 . . . . 65.2 114.573 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.9 0.45 63.95 Favored Glycine 0 C--N 1.351 1.4 0 O-C-N 120.976 -1.078 . . . . 34.11 114.365 167.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.93 143.02 57.07 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 118.439 1.12 . . . . 73.14 111.365 163.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -81.85 170.55 15.53 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.621 -1.925 . . . . 71.22 108.164 167.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.62 -34.87 79.28 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.609 -1.307 . . . . 72.12 112.574 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.8 87.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.437 1.895 . . . . 62.54 112.542 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -67.96 -39.54 83.36 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.524 1.13 . . . . 64.04 112.282 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.4 86.61 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.694 0.798 . . . . 54.15 112.902 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -69.61 -29.04 66.46 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.825 -1.172 . . . . 71.02 111.742 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.78 -43.03 98.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.038 1.496 . . . . 71.33 115.038 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.0 mt -63.43 -41.87 98.68 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 121.442 1.928 . . . . 62.53 112.343 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.89 -39.46 94.24 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.951 -1.093 . . . . 74.12 111.611 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.662 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.7 t70 -67.0 -41.23 87.07 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 115.085 1.513 . . . . 73.04 115.085 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.78 -44.8 91.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.454 1.101 . . . . 70.15 109.144 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -58.29 -50.64 72.9 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 123.396 0.678 . . . . 75.34 111.164 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.7 p80 -75.38 -27.98 59.33 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 117.715 -1.594 . . . . 73.41 109.38 -169.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.9 t -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.754 -1.566 . . . . 73.04 111.298 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.47 -32.61 74.09 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.505 1.298 . . . . 33.34 114.505 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.61 -24.71 66.87 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.727 1.211 . . . . 75.42 112.414 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -75.23 -40.17 59.27 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.212 1.805 . . . . 62.15 110.019 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.1 m -96.24 -29.04 3.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.441 0.696 . . . . 75.02 111.378 -164.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.86 155.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 122.586 1.184 . . . . 72.51 113.583 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.9 m -66.75 123.52 20.34 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.827 -1.17 . . . . 73.13 111.682 164.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.41 132.14 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 0 C-N-CA 128.536 2.734 . . . . 64.45 103.729 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 t -112.64 128.15 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 106.265 -1.754 . . . . 75.23 106.265 177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.6 91.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.37 1.248 . . . . 64.11 114.37 171.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.75 -39.89 95.38 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.052 1.741 . . . . 43.44 113.567 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -130.13 98.6 20.91 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 117.619 -1.181 . . . . 72.22 109.212 -160.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.51 -13.9 38.5 Favored 'Trans proline' 0 C--N 1.326 -0.606 0 CA-C-N 123.908 2.432 . . . . 72.24 112.777 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.5 m -70.21 -44.81 67.87 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.999 1.319 . . . . 53.04 110.924 -174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.31 95.06 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.963 -1.086 . . . . 70.13 111.925 171.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.5 m -56.62 -46.55 80.87 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.267 0.485 . . . . 73.22 111.687 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.79 -48.42 71.83 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.61 -1.307 . . . . 64.32 113.805 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.18 79.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.223 1.409 . . . . 74.12 112.293 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -62.62 -41.38 98.98 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.481 0.712 . . . . 63.03 109.843 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.05 -46.18 88.7 Favored 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 121.278 -0.889 . . . . 61.51 112.544 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.85 99.66 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.576 1.15 . . . . 73.13 110.926 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -73.05 -28.94 62.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.294 -0.412 . . . . 73.11 110.832 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -69.79 -46.77 65.02 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 120.602 -1.311 . . . . 51.24 113.556 167.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.9 t80 -55.11 -47.63 74.72 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.073 1.509 . . . . 73.23 115.073 174.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.425 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.0 ttpp -62.78 -32.0 73.08 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-O 122.214 1.006 . . . . 73.15 111.075 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.03 99.84 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 122.688 1.232 . . . . 45.23 112.516 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.64 -46.83 71.32 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.164 1.786 . . . . 62.5 113.596 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.7 pt -67.29 -23.35 30.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 O-C-N 119.117 -2.24 . . . . 65.4 114.305 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.5 -42.33 98.64 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 124.717 1.207 . . . . 64.02 111.563 169.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -77.82 -23.01 49.16 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.286 0.847 . . . . 74.23 113.286 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.3 mt -66.64 153.97 41.75 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 127.544 2.338 . . . . 74.21 115.32 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.29 -0.12 48.23 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.121 1.368 . . . . 74.52 111.874 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 16.3 p-90 -132.64 155.64 48.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 106.81 -1.552 . . . . 74.23 106.81 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.82 119.09 39.95 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-O 118.455 -0.783 . . . . 73.34 111.202 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.1 152.76 67.68 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.52 2.146 . . . . 74.24 109.028 157.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -84.82 168.73 14.84 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 106.507 -1.664 . . . . 61.22 106.507 172.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -32.76 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.299 -1.5 . . . . 64.45 112.542 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.18 -39.93 88.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.582 0.753 . . . . 74.3 112.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -45.27 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 126.619 1.967 . . . . 52.33 112.152 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.55 82.99 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.329 0.862 . . . . 42.4 113.329 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.2 -30.01 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 C-N-CA 118.751 -1.18 . . . . 75.21 108.103 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.75 99.81 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 120.62 -0.8 . . . . 74.31 114.161 -172.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.462 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.2 mt-10 -64.53 -37.03 86.14 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.989 1.395 . . . . 75.42 113.629 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.7 mt -63.83 -51.88 62.7 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.519 1.127 . . . . 62.41 112.688 173.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 56' ' ' ALA . 24.7 mt -68.27 -41.51 80.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.316 -1.311 . . . . 64.11 111.437 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.33 87.81 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 119.883 -1.761 . . . . 54.1 114.339 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.53 28.13 3.93 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.805 -1.184 . . . . 73.44 112.014 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.4 t . . . . . 0 C--O 1.264 1.841 0 O-C-N 119.508 -1.995 . . . . 65.32 113.792 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.518 2.95 0 N-CA-C 115.525 1.676 . . . . 71.44 115.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -62.68 -42.03 99.41 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.729 -1.232 . . . . 71.33 113.079 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.68 3.64 43.89 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 114.453 1.279 . . . . 63.3 114.453 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -102.26 -49.99 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 C-N-CA 124.294 1.038 . . . . 72.11 108.442 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.34 -31.79 72.3 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.531 1.308 . . . . 74.35 114.531 -153.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -146.04 152.64 39.67 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 105.547 -2.019 . . . . 70.04 105.547 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -61.3 -35.15 76.55 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.275 1.213 . . . . 53.13 114.275 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 tpt -133.07 132.98 42.39 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 106.065 -1.828 . . . . 55.44 106.065 162.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -115.61 122.48 45.75 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.214 -1.402 . . . . 74.22 107.214 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -123.82 123.74 67.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 107.828 -1.175 . . . . 63.42 107.828 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -65.89 -37.94 87.46 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.124 1.37 . . . . 72.31 113.507 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.66 -38.39 78.06 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 127.631 2.372 . . . . 70.3 112.693 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.14 -19.72 64.84 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 118.002 2.593 . . . . 61.12 118.002 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -56.61 -45.18 99.96 Favored Pre-proline 0 C--N 1.35 0.621 0 CA-C-O 116.072 -1.918 . . . . 74.41 115.692 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.03 -27.87 42.04 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 CA-C-N 125.713 3.076 . . . . 74.11 114.303 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -67.25 -42.83 83.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.465 1.939 . . . . 64.21 113.342 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.55 -31.79 67.39 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 61.24 112.191 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.39 93.56 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.075 -1.016 . . . . 65.42 112.682 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.48 -0.66 18.23 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.91 1.284 . . . . 50.33 113.709 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.9 -49.04 7.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.638 -1.914 . . . . 71.51 110.123 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.41 -37.85 36.2 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.256 -1.527 . . . . 71.11 114.321 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.7 -37.95 80.27 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 128.237 2.615 . . . . 73.33 110.265 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.68 -7.8 53.81 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.09 -1.414 . . . . 72.54 109.233 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 56.5 45.38 22.55 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 127.623 2.369 . . . . 73.43 113.547 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.92 158.77 41.48 Favored Pre-proline 0 C--N 1.349 0.576 0 C-N-CA 124.215 1.006 . . . . 52.1 109.004 -174.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.1 Cg_endo -73.68 167.13 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.73 2.287 . . . . 71.12 113.836 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.98 -35.58 75.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.693 2.797 . . . . 60.4 109.126 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.22 -30.52 66.56 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 127.652 2.381 . . . . 74.11 114.38 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.1 m -99.58 -26.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 O-C-N 120.481 -1.387 . . . . 63.2 111.686 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -65.1 -29.53 70.4 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 118.474 -2.641 . . . . 61.34 112.173 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.55 -16.82 59.52 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 121.267 -0.896 . . . . 71.05 112.719 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -67.54 -29.15 68.47 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.0 -1.063 . . . . 65.22 111.427 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.36 -42.39 98.63 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.136 1.775 . . . . 75.42 114.612 166.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.07 -43.2 93.0 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.231 -1.543 . . . . 64.01 113.166 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -66.13 -25.02 66.78 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.297 1.839 . . . . 61.14 114.419 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.07 -42.09 79.97 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 126.776 2.031 . . . . 74.24 112.345 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -72.03 -18.37 61.96 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 124.684 1.193 . . . . 70.02 112.917 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.58 135.77 57.05 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.181 1.392 . . . . 73.41 110.428 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -65.51 117.02 7.4 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.384 -1.447 . . . . 73.31 114.343 -160.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.22 85.62 Favored Glycine 0 C--N 1.357 1.703 0 C-N-CA 125.023 1.297 . . . . 61.31 114.97 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.22 135.25 50.29 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.134 1.467 . . . . 74.22 113.443 -166.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -88.16 81.31 7.4 Favored 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 120.678 -1.264 . . . . 74.0 113.878 -165.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mm -94.25 119.35 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.833 0.825 . . . . 71.13 109.26 173.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.4 p -123.59 -4.82 8.19 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.959 1.304 . . . . 74.45 111.622 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -83.79 134.61 34.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.167 0.987 . . . . 74.13 112.439 -162.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.02 -31.99 70.47 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 125.618 1.567 . . . . 70.33 113.756 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.4 mt-10 -61.9 -30.47 70.91 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 114.559 1.318 . . . . 63.52 114.559 171.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 118.107 0.412 . . . . 75.05 111.326 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.72 97.15 Favored Glycine 0 CA--C 1.487 -1.668 0 O-C-N 120.533 -1.354 . . . . 73.23 112.783 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.5 m -63.77 -40.42 96.65 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.88 0.872 . . . . 74.24 111.256 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.14 -42.88 85.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.128 -0.983 . . . . 62.53 111.712 171.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.71 -45.69 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 120.633 -1.292 . . . . 53.05 112.27 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.65 -28.11 67.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 114.661 1.356 . . . . 54.41 114.661 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.5 t -62.58 -42.88 99.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.84 1.656 . . . . 74.11 112.187 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -38.67 85.87 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 121.301 1.864 . . . . 73.12 113.739 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.37 -36.23 68.59 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 126.311 1.844 . . . . 73.54 115.076 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.89 -16.0 52.07 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.849 1.055 . . . . 72.02 113.849 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -116.14 45.49 1.75 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.414 -1.429 . . . . 61.14 112.167 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.66 -13.13 32.32 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 124.078 1.894 . . . . 75.42 110.263 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.27 -34.05 76.83 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 129.287 3.035 . . . . 71.21 110.473 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.18 -29.83 68.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 128.595 2.758 . . . . 73.43 110.89 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 161.05 31.21 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.413 2.285 . . . . 64.22 110.636 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.06 138.09 45.69 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 120.378 -1.451 . . . . 71.13 112.778 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.47 -28.21 69.66 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.801 -1.187 . . . . 65.45 113.442 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -57.24 -37.44 72.29 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.095 1.758 . . . . 72.42 113.513 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.4 ptm -76.69 -14.77 59.93 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.857 -1.152 . . . . 70.21 112.317 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 m120 69.1 24.24 6.2 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 130.426 3.49 . . . . 75.21 117.002 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -79.01 123.78 27.63 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 119.562 -1.961 . . . . 74.24 112.238 179.562 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -141.01 158.61 43.69 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.344 -0.848 . . . . 75.43 109.258 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -67.11 132.33 47.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.802 0.841 . . . . 75.3 109.491 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.8 -13.49 42.57 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 121.1 -1.0 . . . . 74.51 114.273 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -90.47 15.35 10.89 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.795 1.638 . . . . 71.51 111.065 -171.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.8 76.15 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 127.43 2.292 . . . . 72.13 113.473 -169.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.3 mtt -59.9 -41.67 92.13 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.615 -1.303 . . . . 74.24 112.579 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.67 -42.45 24.73 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 123.863 1.792 . . . . 72.41 115.179 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 26.9 t80 -59.04 -44.83 91.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 111.841 -2.436 . . . . 73.11 113.014 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -59.18 -40.32 85.28 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.751 -1.218 . . . . 53.44 113.138 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.9 mtm -62.93 -36.65 84.13 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.708 1.203 . . . . 73.02 113.432 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -60.87 -27.57 68.22 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.875 -1.141 . . . . 74.41 112.361 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 42.8 m170 -93.81 11.85 27.85 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.081 1.352 . . . . 74.12 114.236 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.44 2.59 63.53 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 120.727 -1.233 . . . . 14.22 114.638 169.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.92 144.5 56.2 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.646 1.223 . . . . 52.11 111.204 162.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.86 172.05 13.25 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.768 -1.833 . . . . 74.03 108.581 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -64.91 -31.81 73.22 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.452 -1.405 . . . . 75.31 112.95 -171.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.24 71.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.388 1.475 . . . . 40.21 112.408 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.05 -40.36 96.12 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.949 2.1 . . . . 70.01 113.102 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.59 88.86 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.828 1.251 . . . . 63.23 112.984 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -77.52 -27.82 51.87 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.683 0.793 . . . . 72.24 112.235 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -60.03 -42.26 94.01 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 114.764 1.394 . . . . 75.35 114.764 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 135' ' ' ALA . 59.4 mt -62.57 -41.64 99.06 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 120.929 1.695 . . . . 65.33 112.491 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.69 -39.52 93.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 120.99 -1.069 . . . . 72.45 111.684 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.658 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 33.4 t70 -66.24 -40.98 90.62 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.325 1.45 . . . . 55.3 114.858 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.94 -44.26 90.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 124.401 1.08 . . . . 72.41 109.843 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.14 -50.41 73.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 123.484 0.714 . . . . 71.13 111.13 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.658 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.2 p80 -73.53 -28.96 62.16 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 123.087 1.422 . . . . 75.43 109.585 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 t -65.53 -41.32 93.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.325 -1.761 . . . . 52.32 112.295 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.6 m -68.6 -35.65 77.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.543 1.312 . . . . 74.45 114.543 173.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.34 -29.42 68.88 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.79 1.236 . . . . 71.34 113.049 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -85.94 -19.48 30.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 122.773 0.429 . . . . 70.42 112.023 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -101.09 -31.2 3.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 O-C-N 121.402 -0.811 . . . . 71.31 111.314 -175.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.36 156.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.857 1.429 . . . . 63.53 114.857 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.5 m -68.35 126.68 30.37 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.956 -1.09 . . . . 54.31 112.315 164.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.426 HG12 HG23 ' A' ' 111' ' ' THR . 68.8 mt -112.11 132.76 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 129.131 2.972 . . . . 72.35 103.709 177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -114.19 128.34 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 105.81 -1.922 . . . . 61.43 105.81 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.43 90.02 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.44 1.274 . . . . 74.23 114.44 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.46 -38.39 90.87 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.462 1.505 . . . . 63.32 114.203 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -127.58 95.88 34.29 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-O 117.772 -1.109 . . . . 73.03 108.658 -162.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 -13.84 38.51 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 CA-C-N 123.772 2.383 . . . . 61.14 112.831 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.92 -44.18 70.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.004 1.322 . . . . 75.44 110.843 -175.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -44.79 96.19 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 121.023 -1.048 . . . . 73.04 111.325 173.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 103' ' ' ILE . 66.9 m -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.711 0.263 . . . . 74.24 111.711 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.7 tpt -65.92 -48.38 71.6 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.718 -1.239 . . . . 63.32 113.58 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -45.18 82.15 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.134 1.374 . . . . 64.34 112.333 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.67 -41.61 99.18 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.884 0.874 . . . . 75.14 109.801 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.31 -46.48 86.51 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.288 -0.882 . . . . 61.55 112.323 175.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.18 98.0 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.726 1.21 . . . . 74.11 111.112 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.2 ptm -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.1 -0.476 . . . . 74.24 111.051 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 47.9 t -69.31 -46.62 66.67 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 120.028 1.285 . . . . 72.0 113.468 167.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.3 t80 -55.19 -48.37 73.91 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 115.129 1.529 . . . . 72.24 115.129 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -63.85 -29.14 70.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-O 121.732 0.777 . . . . 63.15 111.916 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -62.27 -44.36 96.71 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 122.544 1.164 . . . . 65.03 112.044 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.29 -46.32 73.94 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.645 1.578 . . . . 71.33 114.172 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.2 pt -67.26 -21.03 27.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 O-C-N 118.718 -2.489 . . . . 71.32 115.472 172.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -63.94 -39.78 94.93 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.174 -0.954 . . . . 74.21 111.601 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -77.45 -25.07 50.24 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.12 0.785 . . . . 70.01 113.12 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.8 mt -65.98 151.54 46.58 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.362 2.265 . . . . 75.32 115.282 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.69 0.08 45.0 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.744 -1.571 . . . . 71.41 112.789 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -132.63 154.87 49.65 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 105.791 -1.929 . . . . 74.13 105.791 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.13 38.18 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.448 -0.787 . . . . 75.31 111.147 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.55 153.57 65.2 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.358 2.039 . . . . 70.34 110.048 158.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.5 p -84.4 169.64 14.38 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 106.927 -1.508 . . . . 72.14 106.927 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -35.63 77.57 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.349 -1.47 . . . . 75.11 111.809 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -62.57 -26.06 68.39 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.367 1.067 . . . . 73.03 113.475 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.81 -46.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 126.58 1.952 . . . . 71.23 110.958 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.402 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.48 -46.54 85.68 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.249 -1.532 . . . . 54.44 114.039 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.17 -29.28 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 O-C-N 120.722 -1.236 . . . . 64.4 108.24 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.02 -44.19 96.42 Favored Glycine 0 C--N 1.359 1.842 0 CA-C-O 119.779 -0.456 . . . . 74.53 113.237 -174.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.93 -37.78 84.96 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 118.691 1.245 . . . . 71.42 113.447 177.43 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -63.53 -51.34 65.9 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.628 1.171 . . . . 72.13 112.827 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 56' ' ' ALA . 68.2 mt -68.38 -38.43 81.35 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.457 -1.247 . . . . 75.03 111.754 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.451 -1.406 . . . . 71.44 114.521 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -96.67 33.36 1.86 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.2 -0.937 . . . . 72.54 111.74 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.261 1.676 0 O-C-N 119.93 -1.731 . . . . 61.23 114.472 178.704 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.519 2.996 0 N-CA-C 115.295 1.591 . . . . 74.23 115.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -66.08 -45.24 81.97 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.73 1.212 . . . . 74.5 112.073 -177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.93 -2.55 37.38 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.545 1.538 . . . . 74.14 114.985 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.24 -48.57 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 114.421 -1.263 . . . . 74.32 109.855 166.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.87 -42.35 63.75 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.747 -1.115 . . . . 73.03 111.754 -151.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -131.08 139.48 49.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 103.665 -2.717 . . . . 74.04 103.665 167.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.1 133.29 50.42 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.914 0.886 . . . . 74.24 112.148 -173.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.3 mtt -134.36 150.95 50.96 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.899 -0.778 . . . . 65.11 108.899 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -143.74 153.34 42.32 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 104.467 -2.42 . . . . 71.42 104.467 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -144.72 142.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 108.231 -1.026 . . . . 45.11 108.231 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -87.06 -179.23 6.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.849 1.26 . . . . 61.23 111.553 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -79.92 53.1 1.61 Allowed 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.931 -1.73 . . . . 74.21 113.556 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.53 -15.73 55.97 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 127.73 2.412 . . . . 74.03 114.525 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -58.38 -45.69 99.68 Favored Pre-proline 0 C--N 1.348 0.509 0 CA-C-O 116.366 -1.778 . . . . 74.4 113.649 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.49 -25.53 35.14 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 CA-C-N 125.088 2.853 . . . . 73.4 114.472 169.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.6 -42.61 51.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.602 1.092 . . . . 71.35 111.225 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.9 -32.05 65.08 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.319 -0.863 . . . . 72.05 111.722 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.75 96.4 Favored 'General case' 0 CA--C 1.503 -0.843 0 O-C-N 121.478 -0.764 . . . . 72.31 112.618 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.8 t -61.06 -46.03 92.32 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 108.282 -1.007 . . . . 52.11 108.282 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.15 -43.3 92.07 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.02 -1.675 . . . . 65.23 112.566 -172.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.63 -38.66 54.33 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 114.356 1.243 . . . . 61.13 114.356 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.63 -39.23 83.62 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 126.085 1.754 . . . . 75.12 110.653 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.6 mt -84.52 -11.97 55.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.215 -0.902 . . . . 64.05 110.111 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.6 47.4 13.29 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.852 2.061 . . . . 70.04 112.998 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.26 157.56 50.83 Favored Pre-proline 0 C--N 1.348 0.502 0 C-N-CA 124.698 1.199 . . . . 72.4 108.427 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.7 Cg_endo -74.91 165.65 30.93 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.206 1.937 . . . . 50.32 113.138 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.22 -25.68 68.18 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 127.584 2.354 . . . . 71.4 110.257 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.86 69.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.378 1.871 . . . . 73.12 114.179 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG13 ' HG2' ' A' ' 26' ' ' PRO . 6.0 m -101.34 -24.92 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 120.763 -1.211 . . . . 74.41 111.233 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.85 -29.88 69.91 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 118.569 -2.582 . . . . 74.42 111.112 171.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -77.13 -16.64 59.09 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 121.319 -0.863 . . . . 71.13 112.163 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -67.55 -28.74 68.05 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.864 -1.148 . . . . 74.03 111.444 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.811 2.045 . . . . 75.4 114.367 166.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.54 -42.91 98.38 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.234 -1.541 . . . . 72.45 112.785 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -65.52 -29.47 70.11 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 126.549 1.939 . . . . 71.14 114.144 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.83 -40.3 72.63 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 127.593 2.357 . . . . 72.44 112.667 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -78.71 -8.82 59.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 121.531 -0.731 . . . . 72.41 112.751 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -63.72 130.79 45.66 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.971 -1.08 . . . . 64.11 110.011 165.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.73 118.49 9.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.503 -1.373 . . . . 73.52 112.535 -162.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 1.44 85.94 Favored Glycine 0 C--N 1.353 1.521 0 C-N-CA 124.299 0.952 . . . . 22.33 115.467 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -68.13 136.03 53.06 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.303 1.551 . . . . 64.51 112.555 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -86.6 80.26 8.64 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.694 -1.254 . . . . 72.13 113.352 -163.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mm -99.33 116.25 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.519 -1.289 . . . . 63.21 107.519 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -125.83 7.65 7.44 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.488 1.115 . . . . 62.04 110.402 -172.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -88.09 132.5 34.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.152 0.981 . . . . 74.24 111.682 -164.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 126.259 1.824 . . . . 74.52 113.57 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.3 mt-10 -62.44 -31.77 72.53 Favored 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 115.637 1.717 . . . . 71.1 115.637 170.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.63 91.43 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 121.373 0.606 . . . . 44.13 110.911 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -39.93 97.6 Favored Glycine 0 CA--C 1.487 -1.684 0 O-C-N 120.773 -1.204 . . . . 64.34 112.678 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.67 -41.33 98.18 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.706 0.802 . . . . 74.04 111.19 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 p -68.88 -41.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 121.081 -1.012 . . . . 72.24 111.933 172.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.92 -46.02 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 O-C-N 119.858 -1.776 . . . . 61.12 112.294 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.57 -29.09 68.37 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.441 1.645 . . . . 74.14 115.441 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.522 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.2 t -62.98 -41.99 99.71 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 127.661 2.384 . . . . 73.3 112.904 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.19 -35.62 75.78 Favored 'General case' 0 C--N 1.366 1.322 0 CA-C-N 120.05 1.295 . . . . 70.22 113.852 174.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.5 -38.33 71.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.988 1.477 . . . . 63.53 114.988 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.95 -40.78 75.23 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 122.454 1.121 . . . . 71.44 112.521 169.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -89.24 42.68 1.1 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.155 1.782 . . . . 74.41 113.807 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.54 -16.55 27.0 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 123.736 1.731 . . . . 73.04 109.767 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -62.13 -34.6 76.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 128.105 2.562 . . . . 73.31 110.115 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.58 -28.86 68.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.53 2.732 . . . . 64.25 111.901 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 68' ' ' LEU . 77.7 mt -69.88 157.6 37.11 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.599 1.959 . . . . 63.24 112.472 -173.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.4 131.2 43.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 121.031 -1.043 . . . . 71.4 111.552 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -60.81 -25.98 66.97 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.23 1.412 . . . . 74.5 113.974 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.5 -34.95 65.06 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 125.309 1.444 . . . . 64.52 113.43 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -76.09 -21.9 56.2 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.746 -1.221 . . . . 72.54 112.401 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 63.3 37.55 10.93 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.594 3.157 . . . . 72.32 117.921 -173.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -86.79 125.18 33.77 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.098 -1.626 . . . . 72.43 110.704 173.697 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.13 165.45 26.05 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 118.106 -1.437 . . . . 62.13 107.422 159.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.13 131.63 46.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.979 -1.701 . . . . 71.31 113.632 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.3 -12.0 70.73 Favored Glycine 0 C--N 1.348 1.22 0 C-N-CA 125.403 1.478 . . . . 74.24 116.718 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 19.53 20.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 120.841 2.321 . . . . 74.41 112.916 -160.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.87 66.96 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 127.486 2.314 . . . . 53.53 113.803 -168.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mtt -60.33 -38.76 84.76 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.994 1.27 . . . . 75.22 112.93 -175.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.71 -44.71 32.32 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.234 0.827 . . . . 73.43 113.234 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 34.0 t80 -60.43 -44.09 96.13 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.662 2.385 . . . . 74.11 114.291 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.82 -41.22 81.78 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 124.352 1.061 . . . . 35.41 113.1 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.4 -35.78 81.54 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 114.234 1.198 . . . . 71.42 114.234 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.94 -28.45 68.97 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.842 -1.161 . . . . 70.44 112.208 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.577 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 37.7 m170 -94.84 12.66 27.3 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 125.636 1.574 . . . . 72.53 114.171 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.61 0.64 64.47 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 120.948 -1.095 . . . . 63.11 114.337 168.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 143.39 55.85 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.513 1.157 . . . . 74.3 110.812 162.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -83.03 173.44 11.76 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.549 -1.969 . . . . 71.4 108.301 169.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.34 -32.23 73.75 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.248 -1.533 . . . . 71.42 112.864 -172.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.13 75.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.783 1.633 . . . . 63.43 112.194 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.23 -40.73 96.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.994 1.718 . . . . 73.44 112.974 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.36 89.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.292 1.037 . . . . 74.12 112.699 176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.11 -28.7 61.48 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.629 0.772 . . . . 71.34 111.819 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.8 -42.94 98.62 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 115.139 1.533 . . . . 44.33 115.139 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 135' ' ' ALA . 61.5 mt -63.13 -41.41 99.31 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 121.33 1.877 . . . . 74.53 112.275 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.09 -40.1 95.49 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.915 -1.116 . . . . 64.2 111.923 172.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.02 -42.6 94.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.294 1.438 . . . . 74.11 112.78 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.5 -45.03 94.2 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 124.525 1.13 . . . . 74.41 109.974 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.38 -55.39 35.35 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 121.865 -0.522 . . . . 72.21 111.638 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -70.93 -25.34 62.71 Favored 'General case' 0 N--CA 1.439 -1.023 0 O-C-N 120.677 -1.264 . . . . 64.22 112.054 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.76 -42.21 91.16 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 122.846 1.307 . . . . 73.0 112.666 170.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -68.05 -34.7 76.94 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.702 -1.249 . . . . 61.54 114.105 174.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.37 -29.07 68.69 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.092 1.357 . . . . 75.11 113.003 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -19.29 29.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.198 0.444 . . . . 75.12 112.198 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.54 -30.29 3.24 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 121.4 -0.813 . . . . 41.14 111.29 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.09 155.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 N-CA-C 114.876 1.436 . . . . 70.14 114.876 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -66.76 127.02 30.85 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 121.049 -1.032 . . . . 61.43 112.428 164.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -112.13 133.03 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.61 0 C-N-CA 129.445 3.098 . . . . 73.22 103.222 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -112.34 129.54 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.478 -2.045 . . . . 63.2 105.478 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.27 98.95 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 113.46 0.911 . . . . 74.41 113.46 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -77.22 -24.02 51.33 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.058 1.873 . . . . 71.35 116.058 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -133.91 97.78 15.08 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-O 117.869 -1.063 . . . . 62.32 109.385 -168.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -68.77 -13.59 37.29 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 CA-C-N 123.741 2.372 . . . . 63.44 112.704 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.2 m -70.4 -45.21 66.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 124.82 1.248 . . . . 64.42 111.188 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.405 1.082 . . . . 74.01 111.938 172.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.8 m -55.03 -47.51 74.63 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 123.823 0.849 . . . . 73.24 111.178 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -46.45 62.46 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.36 -1.463 . . . . 73.41 113.862 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.81 92.2 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.021 -1.675 . . . . 74.21 112.607 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.3 -41.61 98.65 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.725 0.81 . . . . 64.52 109.849 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.75 -47.03 85.3 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 121.345 -0.847 . . . . 71.12 112.422 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.05 98.42 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.342 1.457 . . . . 51.22 110.432 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.92 -31.28 68.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 119.384 -0.341 . . . . 62.55 110.59 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.8 t -70.11 -46.44 64.8 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 120.797 -1.189 . . . . 61.13 113.556 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 74.7 t80 -55.65 -47.77 76.1 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 114.751 1.389 . . . . 70.23 114.751 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.6 tptt -61.56 -33.17 73.4 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.804 1.241 . . . . 71.34 112.142 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.98 99.73 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.495 1.141 . . . . 64.22 112.501 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -67.28 -47.13 71.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.032 1.333 . . . . 72.24 114.239 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.4 pt -67.61 -22.41 28.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 O-C-N 118.989 -2.32 . . . . 70.21 114.359 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -42.88 99.67 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.918 1.287 . . . . 70.14 111.627 168.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -78.22 -23.46 47.43 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.483 0.92 . . . . 71.52 113.483 -171.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.0 mt -65.95 153.19 42.75 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.326 2.25 . . . . 64.42 115.138 -177.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.13 -0.06 50.5 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.026 1.33 . . . . 61.22 112.066 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.2 154.29 48.57 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 106.198 -1.779 . . . . 65.24 106.198 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.31 117.49 38.62 Favored Pre-proline 0 N--CA 1.445 -0.698 0 CA-C-O 118.525 -0.75 . . . . 70.52 111.213 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.61 148.03 65.13 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.26 1.973 . . . . 62.41 109.804 158.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.28 167.84 19.1 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.754 0.788 . . . . 63.51 109.112 164.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.57 -34.24 75.25 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.56 -1.337 . . . . 54.21 111.382 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -62.14 -26.49 68.35 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 123.887 0.875 . . . . 74.34 113.129 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -45.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 126.65 1.98 . . . . 55.01 111.588 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.418 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.25 -47.32 82.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.49 -1.381 . . . . 63.11 114.078 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.1 -28.47 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 120.655 -1.278 . . . . 71.34 108.343 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.0 96.42 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 119.413 -0.659 . . . . 75.23 113.257 -176.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.412 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -68.23 -35.19 77.56 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.161 1.481 . . . . 75.3 113.039 177.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.6 mt -61.76 -55.97 24.48 Favored 'General case' 0 CA--C 1.478 -1.806 0 O-C-N 121.462 -0.774 . . . . 74.5 112.686 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 56' ' ' ALA . 76.2 mt -66.98 -37.13 83.69 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.578 -0.737 . . . . 72.54 112.737 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.04 94.81 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.848 -1.158 . . . . 64.34 114.012 173.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 121.422 -0.799 . . . . 72.22 111.294 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--O 1.259 1.597 0 N-CA-C 115.467 1.655 . . . . 74.05 115.467 -176.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 CA--C 1.512 -0.623 0 N-CA-C 113.992 0.728 . . . . 52.229999999999997 113.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.2 ttm -79.98 -41.52 25.76 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 118.83 0.741 . . . . 73.420000000000002 111.222 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -69.79 -33.13 71.95 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.163 0.985 . . . . 73.439999999999998 111.211 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.38 96.97 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.55 1.14 . . . . 73.310000000000002 112.151 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.5 t -60.15 -46.36 89.95 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 108.591 -0.892 . . . . 51.020000000000003 108.591 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.6 -42.79 93.39 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.03 -1.669 . . . . 73.5 112.517 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.92 -38.0 54.29 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.369 1.248 . . . . 75.239999999999995 114.369 175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.91 -39.16 80.67 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.67 1.988 . . . . 64.230000000000004 110.887 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.8 mt -85.21 -11.48 54.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.403 -0.817 . . . . 62.109999999999999 109.894 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.52 47.05 14.02 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.848 2.059 . . . . 72.230000000000004 112.907 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.38 157.0 50.41 Favored Pre-proline 0 C--N 1.347 0.493 0 C-N-CA 124.337 1.055 . . . . 53.350000000000001 109.171 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -75.33 166.66 28.36 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.455 2.104 . . . . 72.25 113.574 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -64.33 -24.51 67.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 128.296 2.638 . . . . 75.409999999999997 110.19 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.47 70.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 126.256 1.822 . . . . 43.25 113.613 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.3 m -102.1 -21.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 O-C-N 120.325 -1.485 . . . . 74.140000000000001 112.201 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -69.08 -32.29 71.63 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.307 -1.496 . . . . 72.219999999999999 110.75 167.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -75.72 -17.94 59.76 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.611 -1.305 . . . . 74.230000000000004 112.612 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.11 -39.8 87.43 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.006 -1.059 . . . . 73.099999999999994 112.727 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -59.74 -40.46 88.16 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 126.502 1.921 . . . . 73.510000000000005 115.285 167.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -62.59 -43.9 97.65 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 120.183 -1.573 . . . . 53.350000000000001 113.542 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.98 -29.49 70.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.652 1.981 . . . . 72.010000000000005 114.545 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--N 1.344 0.355 0 C-N-CA 128.017 2.527 . . . . 75.519999999999996 112.727 179.412 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.514 -0.428 0 CA-C-O 121.019 0.438 . . . . 71.319999999999993 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -85.59 131.49 34.35 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.882 0.873 . . . . 74.219999999999999 111.806 -163.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.84 -32.58 70.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.06 1.744 . . . . 74.0 113.354 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.7 mt-10 -62.64 -31.35 72.19 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.874 1.805 . . . . 75.140000000000001 115.874 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.61 89.05 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.738 0.699 . . . . 72.540000000000006 111.11 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.05 96.28 Favored Glycine 0 CA--C 1.487 -1.69 0 O-C-N 120.5 -1.375 . . . . 64.430000000000007 112.839 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.49 -41.56 98.54 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.112 0.965 . . . . 73.400000000000006 111.021 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.6 p -68.3 -40.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.225 -0.922 . . . . 72.299999999999997 112.178 171.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.78 -45.79 97.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 O-C-N 119.787 -1.821 . . . . 73.310000000000002 112.526 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.22 -29.1 67.86 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.999 1.481 . . . . 70.109999999999999 114.999 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.3 t -63.0 -42.47 99.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.583 2.353 . . . . 52.0 113.326 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.39 -37.56 81.2 Favored 'General case' 0 C--N 1.368 1.372 0 CA-C-N 120.366 1.439 . . . . 63.399999999999999 113.762 175.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.3 -37.29 69.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.332 1.605 . . . . 73.310000000000002 115.332 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -40.02 73.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 122.211 1.005 . . . . 64.319999999999993 112.857 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.92 38.48 1.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.255 1.822 . . . . 64.230000000000004 112.303 -168.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.411 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.5 mt -85.97 -16.89 36.9 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 123.649 1.69 . . . . 63.310000000000002 109.501 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -61.15 -34.03 74.36 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 128.183 2.593 . . . . 75.120000000000005 110.024 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -28.27 67.32 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 129.13 2.972 . . . . 55.310000000000002 111.901 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 68' ' ' LEU . 72.5 mt -69.45 159.85 32.49 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.873 2.069 . . . . 73.5 111.582 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -74.94 139.56 43.11 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.726 -1.234 . . . . 72.019999999999996 109.141 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.59 -27.32 67.64 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.983 1.105 . . . . 73.030000000000001 113.983 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -58.59 -34.22 70.84 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.692 -1.255 . . . . 73.150000000000006 113.699 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ptp -80.31 -11.19 59.74 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.795 -1.191 . . . . 64.439999999999998 112.395 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.54 23.33 11.8 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.204 3.002 . . . . 70.230000000000004 115.62 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -81.74 123.62 28.91 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 119.715 -1.866 . . . . 72.019999999999996 111.414 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -141.29 152.65 44.66 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.816 -1.179 . . . . 54.030000000000001 107.816 166.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -67.81 129.54 40.22 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.571 1.177 . . . . 73.540000000000006 113.503 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.65 -8.81 79.23 Favored Glycine 0 C--N 1.347 1.165 0 C-N-CA 124.545 1.069 . . . . 43.299999999999997 114.757 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -102.54 22.38 13.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.038 -1.272 . . . . 73.450000000000003 111.441 -170.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.15 81.84 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 114.533 1.309 . . . . 71.120000000000005 114.533 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.0 mtt -61.36 -40.51 94.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.436 1.016 . . . . 71.209999999999994 112.305 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -73.2 -44.61 59.46 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.575 0.75 . . . . 73.150000000000006 112.724 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.07 -47.5 85.61 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 126.656 1.983 . . . . 75.329999999999998 113.331 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.89 93.52 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 121.044 -1.035 . . . . 75.310000000000002 113.074 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.0 mtp -63.49 -36.84 85.09 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.693 1.197 . . . . 52.439999999999998 113.63 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.37 -27.74 68.73 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.865 -1.147 . . . . 72.120000000000005 112.485 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -94.23 13.59 22.89 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.738 1.615 . . . . 74.239999999999995 114.556 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.05 0.89 63.33 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.969 -1.082 . . . . 22.43 114.284 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 142.33 57.28 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 118.394 1.097 . . . . 55.210000000000001 111.329 163.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.05 169.38 16.77 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.391 -2.068 . . . . 74.120000000000005 107.803 168.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.78 -34.31 78.03 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.568 -1.333 . . . . 70.120000000000005 112.798 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.69 90.09 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.628 1.971 . . . . 54.399999999999999 112.346 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.98 -35.76 66.94 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 121.123 -0.986 . . . . 63.119999999999997 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.65 85.0 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.897 0.879 . . . . 74.430000000000007 112.909 175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.26 -28.23 66.14 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.776 -1.203 . . . . 63.32 112.394 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -42.43 97.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 115.014 1.487 . . . . 71.510000000000005 115.014 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 135' ' ' ALA . 42.2 mt -63.43 -41.24 98.67 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 121.748 2.067 . . . . 65.349999999999994 112.644 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.07 -40.87 97.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.354 -0.841 . . . . 73.140000000000001 111.766 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.75 -42.59 97.81 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.573 -1.329 . . . . 74.519999999999996 112.328 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -44.75 93.16 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 C-N-CA 124.363 1.065 . . . . 62.310000000000002 110.406 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -58.47 -56.79 17.56 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 121.777 -0.577 . . . . 70.400000000000006 111.935 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -68.58 -29.35 67.87 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 121.27 -0.894 . . . . 74.540000000000006 110.824 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 t -66.74 -40.21 88.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-O 122.518 1.151 . . . . 74.310000000000002 113.336 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.461 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -68.32 -34.91 76.98 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.569 1.548 . . . . 65.239999999999995 114.452 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.26 -32.2 70.93 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.342 1.057 . . . . 71.430000000000007 111.347 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -83.66 -19.63 35.01 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.328 0.651 . . . . 54.109999999999999 111.797 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.2 m -100.48 -30.61 3.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.151 0 O-C-N 121.505 -0.747 . . . . 74.0 111.193 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.79 155.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 N-CA-C 114.64 1.348 . . . . 74.439999999999998 114.64 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.1 m -66.8 126.84 30.29 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.95 -1.094 . . . . 33.25 112.34 164.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 111' ' ' THR . 73.7 mt -112.63 132.78 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.641 0 C-N-CA 129.239 3.016 . . . . 73.129999999999995 103.675 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 t -114.41 128.69 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 N-CA-C 105.796 -1.928 . . . . 64.040000000000006 105.796 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.59 91.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.702 1.371 . . . . 75.420000000000002 114.702 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.14 -37.76 88.46 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.409 1.484 . . . . 73.530000000000001 114.593 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -127.5 92.93 41.9 Favored Pre-proline 0 C--N 1.348 0.52 0 CA-C-O 118.332 -0.842 . . . . 75.209999999999994 108.886 -162.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.12 -14.12 37.54 Favored 'Trans proline' 0 C--N 1.33 -0.404 0 C-N-CA 122.649 2.233 . . . . 64.400000000000006 112.609 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.55 -42.7 70.81 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.786 1.234 . . . . 55.340000000000003 110.575 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.88 95.74 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 121.272 -0.892 . . . . 70.129999999999995 111.09 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 103' ' ' ILE . 76.9 m -55.99 -46.29 78.73 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.72 0.267 . . . . 62.409999999999997 111.72 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.32 -48.75 69.31 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.743 -1.223 . . . . 73.519999999999996 113.929 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -44.66 82.63 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.388 1.475 . . . . 75.239999999999995 112.102 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.74 -42.01 99.46 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 123.73 0.812 . . . . 73.310000000000002 109.858 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.05 -47.23 83.88 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.569 -0.707 . . . . 74.530000000000001 112.422 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.77 97.55 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.605 1.162 . . . . 73.530000000000001 110.771 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -71.73 -29.61 64.71 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-O 119.205 -0.426 . . . . 73.239999999999995 110.51 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.78 -46.13 69.53 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 119.943 1.247 . . . . 54.310000000000002 113.365 167.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.9 t80 -54.49 -48.05 72.31 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.06 1.504 . . . . 71.140000000000001 115.06 172.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.647 ' HD2' HD11 ' A' ' 123' ' ' ILE . 11.1 mmmm -63.49 -29.32 70.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.754 -0.591 . . . . 71.030000000000001 112.367 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.12 97.94 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.658 1.218 . . . . 73.129999999999995 111.78 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.95 -46.17 68.86 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.113 1.153 . . . . 71.040000000000006 114.113 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.818 ' HA ' HD12 ' A' ' 126' ' ' LEU . 23.5 pt -67.01 -22.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 119.117 -2.239 . . . . 71.5 114.719 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.97 -39.98 94.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.452 1.101 . . . . 64.540000000000006 111.371 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -70.63 -28.81 65.11 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.139 0.975 . . . . 63.140000000000001 113.369 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.3 mt -68.42 152.89 44.77 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 126.947 2.099 . . . . 73.120000000000005 115.275 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.34 0.09 53.16 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.848 1.259 . . . . 62.200000000000003 111.872 -176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -130.81 155.26 47.0 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.206 -1.405 . . . . 73.299999999999997 107.206 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.78 119.54 41.0 Favored Pre-proline 0 N--CA 1.443 -0.779 0 CA-C-O 118.49 -0.767 . . . . 71.310000000000002 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.77 152.15 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.513 2.142 . . . . 73.450000000000003 109.345 156.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.0 p -89.8 169.76 10.99 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 107.039 -1.467 . . . . 64.230000000000004 107.039 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.41 -24.12 67.7 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.355 -1.466 . . . . 73.25 113.478 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 119.922 -1.736 . . . . 74.219999999999999 112.381 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.94 -43.03 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 C-N-CA 126.099 1.76 . . . . 73.129999999999995 113.553 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.45 -47.64 81.02 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.539 1.063 . . . . 72.349999999999994 112.581 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -35.91 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 121.504 -0.748 . . . . 71.340000000000003 110.047 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.19 99.71 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-O 119.018 -0.879 . . . . 72.25 114.022 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.435 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.3 mt-10 -65.12 -37.4 87.32 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.517 1.658 . . . . 74.120000000000005 113.661 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.0 mt -62.04 -51.33 68.41 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 113.655 0.983 . . . . 63.509999999999998 113.655 171.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 56' ' ' ALA . 37.4 mt -69.39 -40.64 77.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.498 -1.228 . . . . 73.400000000000006 111.829 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.72 94.57 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.183 -1.573 . . . . 61.329999999999998 113.554 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -96.7 32.82 1.97 Allowed 'General case' 0 C--N 1.352 0.675 0 O-C-N 121.304 -0.872 . . . . 72.010000000000005 111.374 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.261 1.681 0 O-C-N 120.006 -1.684 . . . . 61.310000000000002 114.414 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 CA-C-O 118.002 -0.916 . . . . 65.519999999999996 113.434 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 ttm -68.55 -44.24 74.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.255 1.389 . . . . 74.530000000000001 111.76 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.24 -33.99 72.31 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.13 0.972 . . . . 71.519999999999996 111.618 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.87 86.0 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.879 0.872 . . . . 65.420000000000002 111.773 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -71.68 -1.76 14.91 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 125.207 1.403 . . . . 73.109999999999999 114.561 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 -48.25 7.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 119.811 -1.806 . . . . 65.329999999999998 110.01 165.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.61 -35.22 30.33 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.636 -1.915 . . . . 75.239999999999995 114.593 -173.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.53 -38.16 77.18 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 128.325 2.65 . . . . 70.430000000000007 110.49 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.47 -9.19 51.0 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.224 -1.353 . . . . 64.510000000000005 109.187 -173.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.5 46.01 15.6 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.651 1.98 . . . . 73.230000000000004 112.924 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.82 159.11 41.96 Favored Pre-proline 0 C--N 1.351 0.654 0 C-N-CA 124.728 1.211 . . . . 63.409999999999997 110.078 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.0 Cg_endo -74.7 166.41 29.4 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.635 2.223 . . . . 72.510000000000005 114.214 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.66 -29.61 70.82 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 129.003 2.921 . . . . 75.239999999999995 109.628 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.73 73.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 126.887 2.075 . . . . 51.530000000000001 114.386 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.6 m -97.41 -23.38 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 O-C-N 119.958 -1.714 . . . . 71.530000000000001 111.973 -172.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -31.35 70.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.201 -1.562 . . . . 73.129999999999995 110.621 171.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.69 -17.06 59.34 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 121.093 -1.004 . . . . 72.430000000000007 112.35 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.66 -37.68 79.39 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 121.321 -0.862 . . . . 53.409999999999997 112.925 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 52' ' ' ILE . 33.0 t80 -59.59 -40.72 88.36 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 125.276 1.43 . . . . 72.120000000000005 114.55 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.73 -41.22 88.26 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 119.731 -1.856 . . . . 65.5 113.655 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.15 -24.52 67.42 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.805 2.042 . . . . 71.5 114.162 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--N 1.348 0.54 0 C-N-CA 127.451 2.3 . . . . 73.310000000000002 112.409 179.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 CA--C 1.514 -0.433 0 CA-C-O 120.738 0.304 . . . . 74.0 111.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -85.39 129.92 34.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.31 -0.869 . . . . 53.409999999999997 111.288 -165.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -59.98 -31.4 69.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 126.394 1.877 . . . . 64.450000000000003 114.443 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.7 mt-10 -62.2 -29.72 70.58 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 115.055 1.502 . . . . 72.450000000000003 115.055 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.49 91.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.481 0.582 . . . . 52.229999999999997 111.401 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -37.98 94.29 Favored Glycine 0 CA--C 1.489 -1.563 0 O-C-N 120.062 -1.649 . . . . 43.350000000000001 113.083 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.4 m -63.55 -41.0 98.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.448 1.099 . . . . 64.030000000000001 111.044 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.65 -42.68 86.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 121.338 -0.851 . . . . 73.400000000000006 111.594 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.7 mt -59.86 -46.35 93.9 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 120.961 -1.087 . . . . 64.040000000000006 112.561 -174.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.3 pp -68.31 -28.32 67.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.38 1.252 . . . . 64.239999999999995 114.38 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.8 t -62.75 -43.06 99.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.212 1.405 . . . . 71.239999999999995 112.326 174.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.8 -35.68 77.08 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 121.144 1.793 . . . . 52.409999999999997 113.326 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.66 -39.09 70.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 115.863 1.801 . . . . 74.209999999999994 115.863 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -70.22 -41.79 73.13 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 122.571 1.177 . . . . 74.040000000000006 111.57 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -92.07 49.47 1.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.28 1.432 . . . . 75.010000000000005 113.072 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.1 mt -93.26 -17.73 23.3 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.593 1.664 . . . . 64.109999999999999 109.699 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -31.74 72.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 127.283 2.233 . . . . 65.200000000000003 109.743 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -28.06 66.92 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.727 3.211 . . . . 63.240000000000002 111.8 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 68' ' ' LEU . 75.1 mt -69.74 158.29 35.7 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 126.991 2.117 . . . . 71.430000000000007 112.524 -173.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.97 130.25 40.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.212 -0.904 . . . . 71.329999999999998 111.102 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.77 -26.98 67.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 125.192 1.397 . . . . 72.209999999999994 114.016 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.02 -32.43 66.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 125.65 1.58 . . . . 71.310000000000002 114.212 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 ptp -82.16 -11.46 58.71 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.136 1.334 . . . . 75.329999999999998 111.728 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 63.94 28.01 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 128.898 2.879 . . . . 62.32 115.37 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -80.5 123.14 27.83 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 119.736 -1.853 . . . . 44.43 110.038 178.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -141.02 150.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 106.767 -1.568 . . . . 71.299999999999997 106.767 163.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.52 133.52 51.42 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.903 1.281 . . . . 71.129999999999995 111.836 -173.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.94 -12.68 63.21 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 123.641 0.639 . . . . 62.310000000000002 114.212 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -102.87 22.92 12.97 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.625 1.57 . . . . 72.109999999999999 110.407 -169.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.35 81.37 Favored 'General case' 0 CA--C 1.49 -1.361 0 C-N-CA 125.503 1.521 . . . . 73.120000000000005 114.045 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.3 mtp -61.16 -40.58 94.41 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 119.343 0.974 . . . . 71.409999999999997 112.516 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -70.95 -44.77 65.39 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.214 0.82 . . . . 71.400000000000006 113.214 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.51 -47.64 85.26 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.98 2.112 . . . . 75.010000000000005 113.143 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.58 91.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.138 0.975 . . . . 71.129999999999995 112.97 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.47 -35.67 81.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.807 1.243 . . . . 73.0 114.021 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -28.45 69.48 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 120.745 -1.222 . . . . 74.230000000000004 112.108 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.7 15.31 20.41 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.247 1.819 . . . . 73.430000000000007 114.418 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.42 -2.72 63.14 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 121.218 -0.926 . . . . 74.519999999999996 113.885 165.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.57 58.42 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 118.294 1.047 . . . . 74.420000000000002 111.929 165.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -81.33 170.44 16.01 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.342 -2.099 . . . . 61.039999999999999 108.628 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -65.01 -34.88 79.5 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.563 -1.336 . . . . 71.010000000000005 112.694 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.06 83.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.479 1.912 . . . . 71.239999999999995 112.335 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.6 -38.9 84.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.943 1.297 . . . . 74.140000000000001 112.267 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.618 0.97 . . . . 62.109999999999999 113.618 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -68.34 -29.54 68.3 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.585 -1.322 . . . . 73.200000000000003 111.767 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -60.6 -42.97 97.85 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.267 1.58 . . . . 75.150000000000006 115.267 170.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.468 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.4 mt -63.46 -42.24 98.61 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.888 2.131 . . . . 73.329999999999998 112.022 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.71 -39.93 95.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.017 -1.052 . . . . 64.120000000000005 112.118 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.726 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 95.4 m-20 -67.02 -41.07 87.26 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 116.793 2.146 . . . . 72.120000000000005 116.793 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.69 -43.37 87.49 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 CA-C-N 120.016 1.28 . . . . 74.219999999999999 109.438 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -55.6 -51.64 66.47 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.546 0.572 . . . . 55.549999999999997 112.546 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.726 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 26.3 p80 -76.03 -26.17 56.38 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 120.035 -1.666 . . . . 70.209999999999994 110.734 -170.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 t -65.49 -40.86 93.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 112.353 -2.203 . . . . 64.430000000000007 113.045 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.499 ' HA ' HG22 ' A' ' 100' ' ' VAL . 19.7 m -69.89 -35.79 74.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.885 1.439 . . . . 22.219999999999999 114.885 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.63 -28.91 68.91 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.393 1.477 . . . . 75.329999999999998 112.888 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -85.3 -19.34 31.68 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.677 0.791 . . . . 43.539999999999999 112.001 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -102.58 -31.7 3.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 O-C-N 121.33 -0.856 . . . . 71.299999999999997 111.386 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -70.6 154.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.351 1.241 . . . . 72.530000000000001 114.351 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.6 m -66.42 126.01 27.48 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.79 -1.193 . . . . 64.439999999999998 112.146 164.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.412 HG12 HG23 ' A' ' 111' ' ' THR . 71.9 mt -110.26 132.28 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.663 0 C-N-CA 128.845 2.858 . . . . 72.010000000000005 103.454 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.2 t -112.88 128.41 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 106.269 -1.752 . . . . 60.229999999999997 106.269 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.07 90.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.376 1.25 . . . . 75.329999999999998 114.376 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.456 1.502 . . . . 72.120000000000005 114.452 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.23 91.8 40.87 Favored Pre-proline 0 C--N 1.35 0.599 0 CA-C-O 118.054 -0.974 . . . . 75.519999999999996 109.728 -160.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.54 -13.46 40.0 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 122.898 2.399 . . . . 65.129999999999995 113.262 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.3 m -68.56 -43.66 76.14 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.272 1.029 . . . . 64.519999999999996 110.793 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.25 1.02 . . . . 73.329999999999998 110.896 173.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.412 HG23 HG12 ' A' ' 103' ' ' ILE . 65.3 m -56.39 -46.21 80.24 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.515 0.326 . . . . 73.450000000000003 111.428 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.8 tpp -65.7 -49.19 69.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.69 -1.256 . . . . 71.439999999999998 114.324 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -45.21 82.5 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.093 1.357 . . . . 71.329999999999998 112.19 -177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.022 0.929 . . . . 74.299999999999997 109.741 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.36 -46.75 85.12 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.27 -0.894 . . . . 73.0 112.506 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.84 99.89 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 125.051 1.34 . . . . 62.530000000000001 110.707 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.2 ptm -71.95 -30.35 65.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 119.141 -0.457 . . . . 54.210000000000001 110.794 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.7 t -68.75 -47.26 66.71 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.128 1.331 . . . . 54.119999999999997 113.566 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.81 -47.97 76.23 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 115.3 1.592 . . . . 70.109999999999999 115.3 174.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 123' ' ' ILE . 26.6 ttpp -61.73 -32.9 73.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.428 1.091 . . . . 70.129999999999995 111.496 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.66 98.29 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 122.339 1.066 . . . . 73.109999999999999 112.022 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.96 -45.84 73.08 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.475 1.51 . . . . 63.420000000000002 113.876 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.7 pt -64.78 -23.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.169 -2.207 . . . . 74.230000000000004 114.564 173.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.96 -35.66 81.88 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 121.249 -0.907 . . . . 64.400000000000006 111.504 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -75.41 -25.17 57.33 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.34 -1.475 . . . . 72.430000000000007 112.541 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.91 154.07 42.69 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.446 2.299 . . . . 55.210000000000001 115.104 -171.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 0.44 50.19 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.496 1.119 . . . . 62.530000000000001 111.688 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -131.31 153.78 49.22 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.297 -1.742 . . . . 73.420000000000002 106.297 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.29 118.5 37.6 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-O 118.473 -0.775 . . . . 74.120000000000005 111.219 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.92 148.16 63.44 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.412 2.075 . . . . 75.319999999999993 109.288 159.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.1 t -81.18 165.71 21.29 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.655 -0.869 . . . . 65.099999999999994 108.655 164.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.87 -32.87 73.26 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.784 -1.197 . . . . 63.109999999999999 111.394 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.653 0.781 . . . . 60.509999999999998 112.294 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.08 -44.76 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.578 1.951 . . . . 73.400000000000006 114.442 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.27 82.61 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 113.328 0.862 . . . . 75.25 113.328 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.33 -28.72 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.062 0 O-C-N 120.946 -1.096 . . . . 53.229999999999997 108.269 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.93 98.58 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 121.526 -0.734 . . . . 54.240000000000002 114.027 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.4 mt-10 -65.33 -35.32 80.63 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.829 1.315 . . . . 60.210000000000001 113.181 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.9 mt -64.0 -54.86 27.69 Favored 'General case' 0 CA--C 1.476 -1.897 0 C-N-CA 124.163 0.985 . . . . 73.120000000000005 111.822 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 56' ' ' ALA . 57.6 mt -67.19 -40.07 86.48 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.279 -0.873 . . . . 74.019999999999996 112.519 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.39 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.389 -1.444 . . . . 74.530000000000001 114.736 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.18 -25.34 42.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.788 -1.195 . . . . 71.230000000000004 111.865 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.262 1.733 0 N-CA-C 115.613 1.709 . . . . 71.450000000000003 115.613 -175.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.455 -0.789 0 CA-C-O 118.503 -0.707 . . . . 73.120000000000005 113.211 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -68.5 -43.96 75.74 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 74.230000000000004 112.268 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.12 -31.84 66.4 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 121.466 -0.771 . . . . 74.230000000000004 112.054 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.9 90.93 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 121.203 -0.936 . . . . 43.119999999999997 112.022 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.63 -0.82 14.02 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 125.142 1.377 . . . . 41.009999999999998 114.269 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -48.34 7.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 119.977 -1.702 . . . . 71.230000000000004 109.674 166.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -79.82 -36.87 36.24 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.952 -1.718 . . . . 72.200000000000003 114.544 -174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.24 -37.74 78.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 127.807 2.443 . . . . 72.319999999999993 110.368 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 -9.93 49.11 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.14 -1.391 . . . . 73.150000000000006 109.189 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 58.17 47.09 14.93 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.807 2.043 . . . . 52.32 113.304 -174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.63 158.52 45.09 Favored Pre-proline 0 C--N 1.347 0.496 0 C-N-CA 124.415 1.086 . . . . 64.319999999999993 109.553 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -73.78 166.27 30.14 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.616 2.211 . . . . 64.25 113.186 175.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -63.29 -29.99 71.21 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 128.013 2.525 . . . . 74.230000000000004 109.597 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.51 70.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 127.227 2.211 . . . . 71.230000000000004 113.265 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.8 m -97.38 -23.34 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 120.235 -1.541 . . . . 63.32 111.844 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.3 ptm -66.61 -33.3 75.36 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.334 -1.479 . . . . 72.430000000000007 112.082 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.41 -17.92 59.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.8 -1.188 . . . . 63.100000000000001 112.991 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.51 -37.4 78.23 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.162 -0.962 . . . . 72.409999999999997 112.958 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.412 ' CD2' HG12 ' A' ' 52' ' ' ILE . 24.7 t80 -59.56 -41.76 90.9 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.393 1.257 . . . . 72.349999999999994 114.393 169.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.26 -40.33 86.22 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 119.775 -1.828 . . . . 71.329999999999998 113.632 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -64.52 -23.19 67.19 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.806 2.043 . . . . 73.120000000000005 114.304 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.348 0.539 0 C-N-CA 127.081 2.152 . . . . 75.019999999999996 112.16 178.5 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.333 0.587 . . . . 73.409999999999997 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -87.88 131.32 34.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.786 1.235 . . . . 71.120000000000005 111.253 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.9 -32.79 71.07 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.508 1.923 . . . . 73.310000000000002 113.592 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.2 mt-10 -62.35 -30.48 71.21 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 115.943 1.831 . . . . 70.310000000000002 115.943 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.28 90.35 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.741 0.7 . . . . 75.209999999999994 111.493 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -38.98 96.55 Favored Glycine 0 CA--C 1.488 -1.641 0 O-C-N 120.397 -1.439 . . . . 74.310000000000002 113.262 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.24 -40.94 98.87 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.279 1.032 . . . . 64.439999999999998 111.189 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.16 -42.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.189 -0.944 . . . . 73.129999999999995 111.968 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.9 mt -60.08 -46.05 94.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 O-C-N 120.831 -1.168 . . . . 74.439999999999998 112.151 -173.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.3 pp -67.88 -28.46 67.53 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.263 1.209 . . . . 72.219999999999999 114.263 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.519 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.6 t -62.91 -42.7 99.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.626 1.57 . . . . 54.520000000000003 112.094 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -37.34 81.42 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 121.021 1.737 . . . . 71.420000000000002 113.809 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.6 -39.05 70.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 114.738 1.385 . . . . 75.200000000000003 114.738 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.95 -37.7 72.82 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.252 1.025 . . . . 51.119999999999997 112.927 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -98.04 33.58 2.11 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.84 1.656 . . . . 74.040000000000006 112.752 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.5 mt -78.28 -29.49 47.95 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-O 123.377 1.561 . . . . 62.539999999999999 110.735 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.67 -14.72 54.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.037 1.335 . . . . 63.109999999999999 112.992 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.59 -27.31 58.48 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.162 1.785 . . . . 73.030000000000001 111.328 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.419 HD12 HD13 ' A' ' 68' ' ' LEU . 56.3 mt -68.42 159.97 30.56 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.865 2.466 . . . . 75.030000000000001 111.443 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -67.89 133.01 48.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.988 -1.07 . . . . 72.340000000000003 112.145 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -61.54 -26.64 68.07 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.59 -1.318 . . . . 65.150000000000006 113.828 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.71 -34.79 67.81 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.038 1.335 . . . . 73.230000000000004 113.464 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.25 -11.12 58.11 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.717 -1.239 . . . . 63.130000000000003 112.244 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 61.36 27.82 17.39 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.097 2.559 . . . . 74.010000000000005 116.534 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.419 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.61 121.55 26.48 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.976 -1.703 . . . . 75.219999999999999 111.113 178.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.0 151.26 45.33 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.495 -0.928 . . . . 72.129999999999995 108.495 166.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.82 129.43 39.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 122.498 1.142 . . . . 72.420000000000002 113.458 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.64 -8.59 76.72 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.344 1.45 . . . . 75.209999999999994 115.28 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.8 33.13 4.96 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.964 1.382 . . . . 65.439999999999998 110.579 -169.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.0 89.86 Favored 'General case' 0 CA--C 1.495 -1.172 0 O-C-N 120.902 -1.124 . . . . 63.009999999999998 113.877 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -60.37 -41.11 93.04 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.442 1.019 . . . . 74.109999999999999 113.077 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.72 -44.97 63.2 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 112.699 0.629 . . . . 74.329999999999998 112.699 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.69 -48.5 81.53 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.222 1.809 . . . . 61.030000000000001 113.306 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.38 97.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 120.991 -1.068 . . . . 72.5 113.094 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.12 -35.2 79.99 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 113.918 1.081 . . . . 72.109999999999999 113.918 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.05 -30.45 70.33 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.773 -1.204 . . . . 72.540000000000006 112.564 170.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -93.67 14.14 20.0 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.889 1.676 . . . . 75.349999999999994 114.64 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.36 -1.51 62.41 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.037 -1.04 . . . . 71.230000000000004 114.075 167.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 140.43 57.45 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.414 1.107 . . . . 53.399999999999999 111.37 164.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -81.53 170.12 16.28 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.419 -2.051 . . . . 75.439999999999998 108.125 169.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.68 -34.37 78.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.595 -1.316 . . . . 75.209999999999994 112.77 -173.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.65 83.95 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.457 1.903 . . . . 63.030000000000001 112.248 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -71.07 -36.03 72.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 121.213 -0.929 . . . . 62.109999999999999 112.458 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.828 0.823 . . . . 62.020000000000003 112.867 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.85 -27.61 64.98 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.831 -1.168 . . . . 74.200000000000003 112.631 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.62 -42.67 97.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.924 1.453 . . . . 64.230000000000004 114.924 169.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 135' ' ' ALA . 45.0 mt -63.57 -41.11 98.4 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.546 1.976 . . . . 64.310000000000002 112.654 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.28 -40.43 95.94 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.312 -0.867 . . . . 65.450000000000003 112.101 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.06 -42.36 97.04 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 120.377 -1.452 . . . . 71.540000000000006 112.588 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.33 -44.92 93.46 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 124.351 1.06 . . . . 74.140000000000001 110.333 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.3 -54.84 42.18 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 121.86 -0.525 . . . . 75.209999999999994 111.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -70.99 -25.98 62.94 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.642 -1.286 . . . . 71.340000000000003 111.938 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -65.74 -40.63 92.34 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.513 1.149 . . . . 51.329999999999998 112.906 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 21.2 m -68.65 -35.57 77.44 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 114.299 1.222 . . . . 40.539999999999999 114.299 173.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.36 -29.23 68.77 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.995 1.318 . . . . 71.140000000000001 113.095 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -86.61 -18.74 30.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.935 0.494 . . . . 72.319999999999993 112.133 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -101.5 -31.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 121.442 -0.786 . . . . 62.119999999999997 111.258 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -70.95 154.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.443 1.275 . . . . 71.340000000000003 114.443 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.2 m -66.93 126.66 29.81 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.929 -1.107 . . . . 74.5 112.254 165.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.425 HG12 HG23 ' A' ' 111' ' ' THR . 71.5 mt -110.5 132.54 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.553 0 C-N-CA 129.149 2.98 . . . . 71.200000000000003 103.822 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 t -114.25 127.55 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 106.522 -1.658 . . . . 72.420000000000002 106.522 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.28 95.55 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.752 1.39 . . . . 75.230000000000004 114.752 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.42 -39.37 94.31 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.322 1.849 . . . . 74.349999999999994 112.718 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -131.36 96.61 21.18 Favored Pre-proline 0 C--N 1.349 0.544 0 CA-C-O 118.112 -0.947 . . . . 71.340000000000003 110.329 -160.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.08 -13.67 38.75 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 CA-C-N 123.135 2.155 . . . . 75.310000000000002 112.87 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -69.13 -44.67 71.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.703 1.201 . . . . 72.420000000000002 110.754 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.98 95.72 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.098 0.959 . . . . 73.040000000000006 111.368 172.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 103' ' ' ILE . 69.6 m -56.44 -46.56 80.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 117.834 0.288 . . . . 52.219999999999999 111.576 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.98 -48.74 70.26 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.758 -1.214 . . . . 72.219999999999999 113.666 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.18 78.73 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.168 1.387 . . . . 53.25 112.87 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.46 -41.44 98.77 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.162 0.985 . . . . 61.350000000000001 109.298 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.02 -46.9 85.4 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 121.423 -0.798 . . . . 62.310000000000002 112.367 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.24 98.71 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.717 1.207 . . . . 53.119999999999997 110.946 -174.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.4 ptm -71.85 -29.02 63.95 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 119.093 -0.479 . . . . 63.530000000000001 111.151 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.8 -46.56 65.43 Favored 'General case' 0 C--N 1.37 1.472 0 CA-C-N 120.165 1.348 . . . . 71.549999999999997 113.684 166.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.1 t80 -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.037 1.495 . . . . 75.109999999999999 115.037 174.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HA ' HG12 ' A' ' 123' ' ' ILE . 57.9 tptt -63.41 -29.67 70.93 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 123.577 0.751 . . . . 44.100000000000001 112.338 176.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.02 99.74 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.479 1.133 . . . . 34.329999999999998 111.974 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.39 -45.99 71.2 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 114.645 1.35 . . . . 75.109999999999999 114.645 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.807 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.8 pt -67.87 -20.04 25.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 118.639 -2.538 . . . . 62.450000000000003 115.501 172.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.18 -40.44 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.147 0.979 . . . . 61.119999999999997 111.517 168.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 113.491 0.922 . . . . 72.200000000000003 113.491 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.5 mt -68.76 153.01 44.56 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.922 2.089 . . . . 63.049999999999997 115.504 -172.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.33 -0.31 54.35 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.979 1.312 . . . . 72.340000000000003 111.914 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -130.57 155.09 47.11 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 106.797 -1.557 . . . . 72.140000000000001 106.797 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.43 119.13 42.5 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-O 118.544 -0.741 . . . . 73.109999999999999 111.309 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -70.1 151.2 67.05 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.457 2.104 . . . . 70.310000000000002 109.028 155.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -88.71 168.92 12.1 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 106.832 -1.544 . . . . 62.450000000000003 106.832 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.63 -24.42 67.79 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.275 -1.516 . . . . 75.450000000000003 113.663 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.8 -41.35 97.63 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.508 -1.37 . . . . 75.030000000000001 112.125 172.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.05 -43.13 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 C-N-CA 126.349 1.86 . . . . 64.530000000000001 113.301 -171.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.86 80.38 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.602 1.092 . . . . 71.409999999999997 112.523 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.34 -32.5 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 O-C-N 121.503 -0.748 . . . . 73.439999999999998 109.307 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.72 99.75 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.161 -0.8 . . . . 72.540000000000006 113.88 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.452 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.9 mt-10 -64.29 -37.54 87.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.361 1.581 . . . . 62.509999999999998 113.797 173.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.1 mt -61.58 -54.55 41.55 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 112.968 0.729 . . . . 74.150000000000006 112.968 171.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 56' ' ' ALA . 69.6 mt -67.48 -38.68 84.77 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.233 -0.894 . . . . 53.450000000000003 112.457 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.15 96.3 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.844 -1.16 . . . . 75.420000000000002 113.75 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.79 -36.5 78.35 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.135 -0.978 . . . . 65.510000000000005 111.622 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.258 1.545 0 N-CA-C 114.959 1.466 . . . . 73.340000000000003 114.959 -176.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 N--CA 1.455 -0.759 0 CA-C-O 118.45 -0.729 . . . . 74.519999999999996 113.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.1 ttt -70.1 -43.22 71.51 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.823 1.192 . . . . 72.340000000000003 112.164 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.49 -31.93 69.23 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 121.098 -1.001 . . . . 73.030000000000001 111.664 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.94 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.636 0.774 . . . . 23.23 112.983 170.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 95.4 m -60.26 -44.96 94.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.212 0.915 . . . . 71.430000000000007 110.32 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -43.01 93.73 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 119.777 -1.827 . . . . 71.329999999999998 111.904 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 114.762 1.393 . . . . 75.099999999999994 114.762 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.67 -39.6 88.99 Favored 'General case' 0 CA--C 1.487 -1.449 0 C-N-CA 126.759 2.023 . . . . 72.239999999999995 110.543 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 mt -83.74 -7.06 59.56 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.797 -1.092 . . . . 73.439999999999998 110.233 -177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.54 45.91 21.48 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.492 2.317 . . . . 71.030000000000001 113.479 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.73 158.28 44.04 Favored Pre-proline 0 C--N 1.35 0.618 0 C-N-CA 124.126 0.971 . . . . 54.32 109.375 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -74.37 166.69 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.503 2.135 . . . . 71.349999999999994 113.288 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.5 -30.68 71.45 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 128.421 2.689 . . . . 75.420000000000002 109.446 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.91 65.31 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 128.056 2.542 . . . . 64.299999999999997 113.485 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.2 m -101.65 -23.71 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.244 -1.382 . . . . 43.450000000000003 112.238 -172.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -66.83 -32.38 73.62 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.172 -1.58 . . . . 71.109999999999999 111.604 166.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.06 -21.89 61.45 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.38 -0.825 . . . . 71.120000000000005 112.915 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.08 -37.76 83.83 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.055 -1.028 . . . . 75.319999999999993 112.781 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' HG12 ' A' ' 52' ' ' ILE . 18.8 t80 -60.91 -44.09 97.65 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 114.28 1.215 . . . . 75.400000000000006 114.28 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.4 p90 -71.42 -34.41 70.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 119.604 -1.935 . . . . 74.200000000000003 116.018 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -63.15 -20.96 65.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.639 1.576 . . . . 64.120000000000005 114.729 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--N 1.347 0.489 0 C-N-CA 127.059 2.144 . . . . 74.219999999999999 111.678 177.537 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 CA--C 1.515 -0.371 0 N-CA-C 111.971 0.359 . . . . 74.400000000000006 111.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.84 133.78 34.31 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 124.003 0.921 . . . . 52.299999999999997 112.545 -163.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.01 -32.78 71.19 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.201 1.8 . . . . 72.540000000000006 113.464 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.1 mt-10 -62.96 -29.97 71.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 115.557 1.688 . . . . 73.239999999999995 115.557 170.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.08 89.48 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 118.704 0.684 . . . . 62.200000000000003 111.461 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.51 95.76 Favored Glycine 0 CA--C 1.49 -1.487 0 O-C-N 120.414 -1.429 . . . . 55.030000000000001 113.148 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.7 m -63.7 -41.5 98.11 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.13 0.972 . . . . 71.349999999999994 111.049 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.7 p -68.67 -42.04 82.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 121.21 -0.931 . . . . 53.310000000000002 111.553 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.5 mt -59.31 -45.34 93.3 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 120.396 -1.44 . . . . 60.409999999999997 112.7 -175.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.6 -28.92 68.16 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 114.073 1.138 . . . . 74.319999999999993 114.073 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.98 -43.39 98.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.335 1.454 . . . . 74.209999999999994 112.094 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.58 -38.05 86.13 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.104 1.775 . . . . 74.010000000000005 113.51 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.11 -36.01 72.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 115.855 1.798 . . . . 24.129999999999999 115.855 -174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.22 -42.59 72.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.864 0.84 . . . . 73.420000000000002 112.867 166.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.95 44.5 1.2 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.233 1.413 . . . . 71.430000000000007 113.383 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.5 mt -90.43 -14.0 33.74 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.661 1.696 . . . . 74.140000000000001 109.31 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.39 -33.71 75.29 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.043 2.537 . . . . 70.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -27.64 66.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.12 2.968 . . . . 74.099999999999994 111.809 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 68' ' ' LEU . 71.2 mt -70.46 159.89 33.41 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.191 2.196 . . . . 74.010000000000005 111.45 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.5 141.42 41.27 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.727 -1.233 . . . . 74.340000000000003 109.497 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -60.74 -27.9 68.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.261 1.208 . . . . 75.019999999999996 114.261 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.48 -33.01 69.31 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.338 -1.476 . . . . 75.519999999999996 113.622 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.9 ptp -81.79 -12.25 58.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.814 -1.179 . . . . 74.230000000000004 112.819 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 62.29 26.42 15.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.086 2.555 . . . . 74.450000000000003 116.507 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -82.18 121.57 26.78 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 119.962 -1.712 . . . . 63.310000000000002 110.655 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.29 148.49 41.49 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.789 -1.56 . . . . 71.299999999999997 106.789 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.9 t60 -66.62 130.18 42.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.121 0.968 . . . . 70.400000000000006 110.865 -174.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -11.2 71.95 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 124.129 0.871 . . . . 60.130000000000003 114.898 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -103.0 24.51 10.65 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 118.708 1.254 . . . . 70.540000000000006 111.062 -171.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.76 81.73 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 114.657 1.354 . . . . 54.240000000000002 114.657 -173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 63.9 mtt -60.8 -39.58 89.44 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 119.201 0.909 . . . . 63.310000000000002 112.486 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -74.51 -44.52 50.96 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 113.303 0.853 . . . . 71.109999999999999 113.303 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.06 -47.29 86.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 126.808 2.043 . . . . 73.200000000000003 113.232 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.76 92.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 121.164 -0.96 . . . . 63.340000000000003 112.778 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.71 -34.31 77.59 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.804 1.242 . . . . 60.219999999999999 114.199 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.61 -32.62 71.75 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.927 -1.108 . . . . 72.409999999999997 112.019 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -93.98 14.15 20.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.902 1.681 . . . . 74.349999999999994 114.764 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.96 0.78 63.58 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 121.093 -1.004 . . . . 63.009999999999998 114.227 167.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.62 140.37 56.87 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.484 1.142 . . . . 53.219999999999999 110.841 162.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -82.79 172.21 13.11 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 119.537 -1.977 . . . . 73.299999999999997 108.279 169.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.99 -32.61 74.42 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.283 -1.511 . . . . 74.219999999999999 112.929 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.46 77.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.902 1.681 . . . . 63.450000000000003 112.118 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.68 -41.02 96.36 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.264 1.826 . . . . 61.340000000000003 113.436 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.76 84.83 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.015 0.746 . . . . 63.549999999999997 113.015 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -29.11 66.23 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.721 -1.237 . . . . 74.439999999999998 112.348 174.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -60.68 -42.7 97.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.391 1.626 . . . . 73.209999999999994 115.391 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 40.0 mt -63.42 -40.95 98.56 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 121.886 2.13 . . . . 74.310000000000002 112.591 175.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.51 -40.32 95.42 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.424 -0.797 . . . . 73.109999999999999 111.695 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.269 -1.519 . . . . 72.129999999999995 112.549 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.71 -45.44 94.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 124.403 1.081 . . . . 64.239999999999995 110.263 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -59.22 -53.47 57.96 Favored 'General case' 0 CA--C 1.49 -1.328 0 O-C-N 121.844 -0.535 . . . . 72.430000000000007 111.723 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -70.58 -29.58 66.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 121.173 -0.955 . . . . 54.109999999999999 109.912 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 t -66.11 -41.12 91.01 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.602 1.192 . . . . 61.340000000000003 112.801 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.3 m -67.88 -35.21 78.12 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.106 1.15 . . . . 60.549999999999997 114.106 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.24 -28.79 68.31 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.151 1.381 . . . . 63.119999999999997 113.009 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -87.59 -19.04 28.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.215 0.45 . . . . 75.129999999999995 112.215 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -100.98 -31.29 3.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 O-C-N 121.389 -0.819 . . . . 61.450000000000003 111.248 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -70.66 154.36 8.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 N-CA-C 114.613 1.338 . . . . 74.319999999999993 114.613 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.6 m -66.55 126.93 30.46 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.072 -1.018 . . . . 71.230000000000004 112.26 165.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 111' ' ' THR . 71.1 mt -111.66 132.57 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 129.089 2.956 . . . . 61.340000000000003 103.446 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -113.26 128.18 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.633 0 N-CA-C 105.946 -1.872 . . . . 64.230000000000004 105.946 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.443 1.275 . . . . 60.039999999999999 114.443 171.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -64.84 -38.2 90.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.414 1.486 . . . . 72.129999999999995 114.532 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -128.2 96.45 31.18 Favored Pre-proline 0 N--CA 1.447 -0.587 0 CA-C-O 117.769 -1.11 . . . . 75.209999999999994 109.04 -162.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.64 -13.59 37.54 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 CA-C-N 123.859 2.414 . . . . 74.120000000000005 112.785 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.05 -44.42 69.21 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 125.083 1.353 . . . . 50.399999999999999 110.863 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -44.96 96.1 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.302 1.041 . . . . 71.230000000000004 111.255 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' ILE . 73.4 m -56.12 -46.65 79.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 117.963 0.347 . . . . 72.0 111.584 175.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.7 tpt -66.7 -47.94 70.82 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.751 -1.218 . . . . 64.129999999999995 113.572 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.53 79.33 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.738 1.615 . . . . 64.450000000000003 112.591 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.42 -41.76 98.93 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.027 0.931 . . . . 71.349999999999994 109.699 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.83 -46.48 87.72 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 121.513 -0.742 . . . . 70.129999999999995 112.385 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.02 99.7 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 124.931 1.292 . . . . 34.030000000000001 110.95 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.09 -29.1 62.69 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 119.075 -0.488 . . . . 73.120000000000005 110.812 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.8 t -69.35 -46.28 67.38 Favored 'General case' 0 C--N 1.37 1.462 0 CA-C-N 120.075 1.307 . . . . 73.239999999999995 113.363 166.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.6 t80 -54.96 -47.81 74.02 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.057 1.503 . . . . 72.209999999999994 115.057 173.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.06 -32.33 73.67 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.905 0.859 . . . . 52.009999999999998 110.997 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.63 99.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 122.679 1.228 . . . . 73.340000000000003 111.814 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.18 -46.03 71.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 114.723 1.379 . . . . 74.439999999999998 114.723 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' A' ' 126' ' ' LEU . 38.8 pt -67.45 -19.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 118.626 -2.546 . . . . 64.329999999999998 115.511 173.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.86 -40.69 96.23 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.303 1.041 . . . . 75.549999999999997 111.728 167.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -71.82 -27.8 63.16 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.862 0.865 . . . . 65.420000000000002 113.308 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -69.81 153.54 43.19 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.244 2.218 . . . . 73.430000000000007 115.332 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.77 0.35 53.14 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.636 1.174 . . . . 73.540000000000006 111.615 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -131.03 155.24 47.2 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.421 -1.696 . . . . 73.219999999999999 106.421 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.46 120.3 36.56 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 118.305 -0.855 . . . . 54.310000000000002 110.651 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.9 150.79 67.85 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.384 2.056 . . . . 73.430000000000007 109.094 157.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -87.56 166.44 14.73 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 106.392 -1.707 . . . . 62.039999999999999 106.392 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.23 -21.1 66.7 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.0 -1.688 . . . . 65.140000000000001 114.373 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.5 -40.75 95.71 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.457 -1.402 . . . . 75.109999999999999 112.116 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.02 -43.91 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 126.529 1.932 . . . . 63.020000000000003 113.066 -173.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.87 -47.49 83.13 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 119.265 0.938 . . . . 74.349999999999994 112.304 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 m -77.34 -33.33 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 O-C-N 121.433 -0.792 . . . . 71.430000000000007 109.259 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.93 99.49 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 121.615 -0.678 . . . . 43.240000000000002 113.731 -172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 16.8 mt-10 -64.28 -38.08 89.77 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.777 1.289 . . . . 73.209999999999994 113.834 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.0 mt -63.55 -50.78 68.17 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.851 1.26 . . . . 73.549999999999997 112.717 174.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 56' ' ' ALA . 19.2 mt -68.28 -41.75 80.56 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.123 -1.398 . . . . 63.009999999999998 111.287 -176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.54 81.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.657 -1.277 . . . . 75.299999999999997 113.922 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.25 19.34 8.24 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.831 -1.168 . . . . 74.219999999999999 112.74 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 70' ' ' HIS . 7.4 t . . . . . 0 C--O 1.266 1.944 0 O-C-N 119.18 -2.2 . . . . 73.329999999999998 113.613 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 118.434 -0.736 . . . . 73.129999999999995 113.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.5 ttt -69.98 -43.87 70.58 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.691 1.132 . . . . 73.219999999999999 111.558 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.38 -31.21 65.37 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.492 1.117 . . . . 73.150000000000006 112.09 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.99 98.63 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.306 1.043 . . . . 55.43 112.802 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.2 m -60.35 -44.4 95.59 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.302 -0.874 . . . . 63.299999999999997 110.308 175.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 119.735 -1.853 . . . . 74.129999999999995 112.196 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -77.29 -40.87 42.96 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 114.826 1.417 . . . . 72.439999999999998 114.826 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.9 -39.27 88.66 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 125.182 1.393 . . . . 75.019999999999996 111.273 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.9 mt -83.57 -9.29 59.02 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.96 -1.018 . . . . 75.040000000000006 110.436 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.53 48.37 12.07 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.529 2.332 . . . . 62.539999999999999 113.003 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -119.3 158.35 48.89 Favored Pre-proline 0 C--N 1.347 0.475 0 C-N-CA 124.665 1.186 . . . . 74.519999999999996 109.231 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.94 166.61 29.23 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.614 2.21 . . . . 71.340000000000003 113.465 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -62.71 -29.82 70.95 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 128.172 2.589 . . . . 65.040000000000006 109.712 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.96 65.14 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.948 2.499 . . . . 61.020000000000003 113.43 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.4 m -102.48 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 C-N-CA 118.449 -1.3 . . . . 73.030000000000001 112.054 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.8 ptm -66.08 -31.84 72.94 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 120.28 -1.512 . . . . 74.219999999999999 111.506 166.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.543 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.7 pp0? -73.39 -21.83 60.41 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 121.544 -0.723 . . . . 74.0 112.939 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -61.07 -38.03 84.76 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 121.143 -0.973 . . . . 74.239999999999995 112.652 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -60.78 -43.75 97.69 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 114.348 1.24 . . . . 73.200000000000003 114.348 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 43.8 p90 -72.04 -34.47 68.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 119.579 -1.951 . . . . 73.150000000000006 116.244 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -63.4 -20.95 65.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.871 1.668 . . . . 71.409999999999997 114.75 170.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.348 0.518 0 C-N-CA 127.306 2.242 . . . . 65.25 111.541 177.746 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 120.691 0.282 . . . . 72.430000000000007 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.69 132.72 34.46 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.189 -0.944 . . . . 72.450000000000003 112.232 -164.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.12 -32.79 71.34 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.037 1.735 . . . . 75.200000000000003 113.63 -173.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.3 mt-10 -63.02 -29.79 71.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 115.811 1.782 . . . . 74.140000000000001 115.811 170.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.38 87.64 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.658 0.663 . . . . 75.209999999999994 111.497 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.42 95.65 Favored Glycine 0 CA--C 1.491 -1.468 0 O-C-N 120.378 -1.451 . . . . 73.420000000000002 113.109 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.1 m -63.84 -42.06 97.69 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.295 1.038 . . . . 75.329999999999998 110.915 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 O-C-N 121.224 -0.923 . . . . 74.049999999999997 111.796 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.7 -45.92 93.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 O-C-N 120.29 -1.506 . . . . 74.439999999999998 112.992 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.15 -29.08 68.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.319 1.229 . . . . 63.229999999999997 114.319 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.3 t -64.48 -41.17 96.64 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.874 1.67 . . . . 74.450000000000003 112.715 173.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -40.03 90.99 Favored 'General case' 0 C--N 1.365 1.264 0 CA-C-N 122.348 2.34 . . . . 73.299999999999997 112.989 172.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.7 -36.46 69.68 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 125.581 1.552 . . . . 44.420000000000002 114.466 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.23 -20.32 48.55 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.58 -0.7 . . . . 74.409999999999997 112.635 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -109.46 32.01 5.33 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.174 1.79 . . . . 71.25 112.931 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.4 mt -77.36 -26.62 52.15 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 119.87 -1.769 . . . . 70.140000000000001 111.068 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -64.1 -16.53 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.095 1.358 . . . . 74.349999999999994 112.734 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.18 -26.68 56.43 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.641 1.576 . . . . 74.109999999999999 110.752 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 68' ' ' LEU . 57.7 mt -69.3 160.02 32.02 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.239 2.215 . . . . 72.340000000000003 110.336 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.49 138.5 47.06 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.546 -1.346 . . . . 61.340000000000003 109.85 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -60.59 -27.32 67.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.274 1.213 . . . . 73.120000000000005 114.274 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.41 -33.62 69.85 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.436 -1.415 . . . . 63.340000000000003 113.434 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.4 ptm -79.42 -16.84 55.51 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.861 -1.149 . . . . 73.209999999999994 112.413 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 62.95 31.49 16.15 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.813 2.845 . . . . 70.299999999999997 117.127 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.93 122.51 27.34 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.898 -1.751 . . . . 64.5 111.026 175.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -141.49 156.84 45.71 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 72.319999999999993 107.222 167.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -69.03 134.57 49.61 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.771 1.272 . . . . 63.530000000000001 112.337 -174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.49 63.73 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.078 -0.965 . . . . 64.430000000000007 114.753 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.36 18.52 15.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 125.873 1.669 . . . . 65.329999999999998 112.25 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.05 79.88 Favored 'General case' 0 CA--C 1.495 -1.17 0 C-N-CA 125.191 1.397 . . . . 75.439999999999998 113.802 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.08 -38.82 87.6 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.487 1.039 . . . . 51.009999999999998 112.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.27 -44.74 35.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 113.354 0.872 . . . . 73.319999999999993 113.354 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 54.3 t80 -61.13 -44.87 96.67 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.479 2.312 . . . . 73.030000000000001 113.594 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.5 -40.98 79.84 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.89 -1.132 . . . . 73.140000000000001 113.103 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.38 -35.88 81.86 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 114.39 1.256 . . . . 73.340000000000003 114.39 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -61.08 -28.26 68.95 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.868 -1.145 . . . . 73.519999999999996 112.344 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.85 14.96 21.64 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.883 1.673 . . . . 75.540000000000006 114.536 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.72 62.35 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 121.122 -0.986 . . . . 51.329999999999998 113.855 166.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 143.33 56.86 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.307 1.054 . . . . 74.329999999999998 111.843 165.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -81.2 171.21 15.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.711 -1.868 . . . . 70.25 108.366 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.4 -33.87 76.86 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.647 -1.283 . . . . 73.340000000000003 112.749 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 126.091 1.756 . . . . 71.319999999999993 112.586 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 mmt -71.72 -35.97 70.35 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.247 1.019 . . . . 50.340000000000003 111.941 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.0 88.36 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.319 1.448 . . . . 70.430000000000007 113.001 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -24.53 50.42 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.534 0.733 . . . . 52.43 112.116 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -60.81 -42.06 96.92 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.659 1.355 . . . . 71.219999999999999 114.659 171.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.79 -41.94 99.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.038 1.745 . . . . 72.519999999999996 112.242 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.08 -40.53 96.45 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.803 -1.186 . . . . 64.450000000000003 112.112 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.72 -42.63 97.9 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.486 -1.384 . . . . 74.430000000000007 112.645 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.38 -45.41 93.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.08 0 C-N-CA 124.557 1.143 . . . . 73.530000000000001 110.387 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -58.31 -56.21 25.07 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 122.851 0.46 . . . . 71.219999999999999 111.752 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -66.03 -32.99 74.78 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 123.732 0.813 . . . . 64.409999999999997 109.734 -173.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.71 -41.72 91.98 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.915 1.34 . . . . 61.450000000000003 112.983 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.1 m -67.53 -34.6 77.43 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 114.532 1.308 . . . . 71.099999999999994 114.532 173.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.65 -32.48 70.49 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.238 1.415 . . . . 73.530000000000001 111.128 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -85.3 -19.44 31.52 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.817 0.447 . . . . 71.340000000000003 111.935 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.3 m -100.35 -29.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 121.385 -0.822 . . . . 73.420000000000002 111.354 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -71.27 155.07 7.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 114.971 1.471 . . . . 70.400000000000006 114.971 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 90.6 m -66.66 126.8 30.09 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.071 -1.018 . . . . 52.32 112.365 164.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 111' ' ' THR . 70.8 mt -112.23 132.42 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.619 0 C-N-CA 129.045 2.938 . . . . 74.099999999999994 103.822 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.74 128.15 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 N-CA-C 105.866 -1.902 . . . . 73.230000000000004 105.866 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.93 93.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.854 1.428 . . . . 42.310000000000002 114.854 170.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.25 -39.83 94.75 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.98 1.712 . . . . 60.439999999999998 113.402 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -127.66 92.37 43.0 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 118.256 -0.878 . . . . 72.310000000000002 108.759 -161.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -69.01 -14.06 37.74 Favored 'Trans proline' 0 C--N 1.331 -0.371 0 C-N-CA 122.652 2.235 . . . . 53.450000000000003 112.535 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.82 -43.33 72.26 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.917 1.287 . . . . 73.400000000000006 110.457 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -45.22 94.75 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.183 -0.948 . . . . 71.109999999999999 110.974 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 103' ' ' ILE . 76.7 m -56.1 -46.12 79.19 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 111.71 0.263 . . . . 75.010000000000005 111.71 175.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.1 tpt -66.29 -48.23 71.08 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.809 -1.182 . . . . 72.340000000000003 113.707 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -44.75 79.7 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.807 1.643 . . . . 64.319999999999993 112.581 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.48 -41.92 99.13 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.071 0.949 . . . . 74.129999999999995 109.467 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.0 -46.8 85.93 Favored 'General case' 0 CA--C 1.494 -1.179 0 O-C-N 121.773 -0.579 . . . . 75.239999999999995 112.173 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.96 99.16 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.663 1.185 . . . . 61.210000000000001 110.978 -174.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -72.65 -28.64 62.85 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.16 -0.448 . . . . 74.099999999999994 110.87 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.8 t -69.9 -46.34 65.65 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-N 119.954 1.252 . . . . 41.310000000000002 113.383 166.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.6 t80 -55.05 -47.93 74.13 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 114.975 1.472 . . . . 62.25 114.975 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.6 ttpp -62.64 -31.76 72.69 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 124.11 0.964 . . . . 71.319999999999993 111.377 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.84 99.69 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 122.541 1.162 . . . . 62.43 112.338 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -67.6 -46.61 72.09 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.939 1.296 . . . . 75.420000000000002 114.22 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.2 pt -66.75 -22.57 29.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 119.11 -2.244 . . . . 72.450000000000003 114.258 175.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.3 -41.46 98.53 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.854 1.262 . . . . 52.130000000000003 111.891 168.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -75.49 -25.25 57.16 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.38 0.882 . . . . 74.420000000000002 113.38 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.8 mt -67.04 152.83 45.05 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 127.256 2.222 . . . . 72.340000000000003 115.319 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.87 0.35 53.29 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.859 1.264 . . . . 55.409999999999997 111.93 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.9 p-90 -129.46 154.46 46.96 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 106.663 -1.606 . . . . 73.109999999999999 106.663 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.84 42.55 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-O 118.618 -0.706 . . . . 43.539999999999999 111.396 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.36 147.44 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.381 2.054 . . . . 74.409999999999997 109.756 157.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.42 168.71 18.04 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 121.613 0.72 . . . . 53.329999999999998 109.277 165.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.71 -32.38 72.58 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.658 -1.276 . . . . 73.25 111.632 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.178 0.991 . . . . 63.329999999999998 111.989 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.15 -45.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 127.054 2.142 . . . . 74.319999999999993 111.569 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.5 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.468 -1.395 . . . . 74.120000000000005 114.053 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.84 -29.74 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.217 0 O-C-N 120.597 -1.315 . . . . 71.239999999999995 108.184 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.35 98.3 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.141 -0.811 . . . . 63.439999999999998 114.087 -174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.48 -35.47 79.24 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.517 1.658 . . . . 71.25 112.845 177.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.4 mt -62.11 -51.17 69.0 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 113.312 0.856 . . . . 73.439999999999998 113.312 169.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 56' ' ' ALA . 28.9 mt -68.43 -40.38 81.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.741 -1.118 . . . . 64.25 111.948 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.38 89.32 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.244 -1.535 . . . . 43.32 113.348 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -95.03 27.16 3.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.588 -0.695 . . . . 54.299999999999997 111.74 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.261 1.69 0 O-C-N 119.694 -1.879 . . . . 70.430000000000007 114.511 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 CA-C-O 117.225 -1.24 . . . . 73.109999999999999 114.746 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 93.1 mtp -65.4 -43.36 90.87 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.9 2.136 . . . . 64.239999999999995 114.589 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.37 -31.88 69.32 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.846 -1.159 . . . . 73.049999999999997 111.336 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.47 89.2 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 113.877 1.065 . . . . 74.409999999999997 113.877 168.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.6 m -60.08 -43.81 95.22 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.437 1.017 . . . . 73.319999999999993 110.181 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.28 -43.08 92.55 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 119.488 -2.008 . . . . 72.420000000000002 112.691 -175.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -77.45 -39.27 47.29 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.693 1.368 . . . . 74.439999999999998 114.693 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.19 -40.01 84.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 126.672 1.989 . . . . 65.0 110.496 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.9 mt -87.07 -10.19 53.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.325 -0.852 . . . . 62.450000000000003 110.214 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.07 48.02 13.73 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.449 1.9 . . . . 72.510000000000005 113.142 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.07 158.09 47.05 Favored Pre-proline 0 C--N 1.347 0.489 0 C-N-CA 124.952 1.301 . . . . 74.409999999999997 108.316 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.4 Cg_endo -73.51 165.96 31.08 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.477 2.118 . . . . 61.229999999999997 113.394 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.2 -30.56 71.17 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 128.256 2.622 . . . . 75.230000000000004 109.457 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.78 68.43 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.601 2.36 . . . . 22.239999999999998 113.738 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.6 m -99.91 -24.65 4.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.381 -1.449 . . . . 60.43 112.039 -173.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.7 ptm -65.21 -32.28 73.87 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.435 -1.416 . . . . 64.319999999999993 111.54 167.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -75.17 -22.52 58.01 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.581 -0.7 . . . . 61.549999999999997 112.391 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.03 -37.54 82.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.07 -1.019 . . . . 75.299999999999997 113.004 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CD2' HG12 ' A' ' 52' ' ' ILE . 16.5 t80 -60.41 -46.15 91.05 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 113.996 1.109 . . . . 64.209999999999994 113.996 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 40.2 p90 -71.75 -32.77 68.05 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 115.618 1.71 . . . . 71.319999999999993 115.618 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.19 -12.45 40.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 115.526 1.676 . . . . 62.210000000000001 115.526 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.355 0.809 0 C-N-CA 125.01 1.324 . . . . 73.510000000000005 109.941 173.553 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 112.108 0.41 . . . . 60.219999999999999 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -83.61 134.42 34.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.022 0.929 . . . . 73.409999999999997 112.093 -165.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.62 -33.03 70.98 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.184 1.793 . . . . 73.0 113.671 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.9 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.754 1.761 . . . . 63.020000000000003 115.754 170.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.47 89.15 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.689 0.677 . . . . 72.540000000000006 111.471 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.25 95.54 Favored Glycine 0 CA--C 1.489 -1.557 0 O-C-N 120.283 -1.511 . . . . 73.310000000000002 113.1 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.2 m -63.92 -41.74 97.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.316 1.046 . . . . 73.400000000000006 110.856 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -68.1 -42.06 84.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 121.087 -1.008 . . . . 63.119999999999997 111.919 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 33' ' ' PHE . 52.2 mt -59.95 -45.47 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 120.354 -1.466 . . . . 60.219999999999999 112.911 -174.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.4 pp -67.35 -28.34 67.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 114.688 1.366 . . . . 72.239999999999995 114.688 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.478 ' N ' HD12 ' A' ' 53' ' ' LEU . 52.6 t -61.83 -42.56 99.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.849 1.66 . . . . 63.539999999999999 112.295 173.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.05 -38.58 83.22 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-N 121.061 1.755 . . . . 61.229999999999997 113.662 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.81 -35.05 70.33 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 126.007 1.723 . . . . 71.129999999999995 115.394 -174.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.34 -11.17 55.24 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.178 0.807 . . . . 53.229999999999997 113.178 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -118.19 37.92 3.86 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.285 1.434 . . . . 74.140000000000001 111.948 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 68' ' ' LEU . 91.4 mt -82.01 -27.06 33.3 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 123.893 1.806 . . . . 63.399999999999999 110.66 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.34 -15.37 57.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 126.2 1.8 . . . . 71.030000000000001 112.803 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.99 -27.51 57.46 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.196 1.798 . . . . 73.219999999999999 111.446 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 mt -69.57 160.56 31.3 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.657 2.383 . . . . 72.450000000000003 111.076 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.9 126.05 28.56 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.041 -1.037 . . . . 74.439999999999998 111.056 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.31 -25.88 67.42 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.378 1.471 . . . . 74.420000000000002 113.583 -171.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.82 -32.26 63.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.977 2.111 . . . . 53.119999999999997 113.966 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 ptp -81.98 -8.41 59.67 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.043 1.292 . . . . 62.549999999999997 112.335 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 m120 62.49 27.9 16.5 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 128.303 2.641 . . . . 64.439999999999998 116.191 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.18 121.26 25.91 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 120.138 -1.602 . . . . 64.129999999999995 110.673 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -136.35 161.01 36.99 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 105.097 -2.186 . . . . 62.420000000000002 105.097 168.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -68.26 145.39 54.29 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.002 -1.11 . . . . 72.120000000000005 108.002 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 -48.3 4.03 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 120.446 -1.409 . . . . 71.349999999999994 115.005 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.59 50.33 1.98 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.594 1.557 . . . . 55.009999999999998 109.35 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.69 95.92 Favored 'General case' 0 CA--C 1.485 -1.549 0 C-N-CA 126.112 1.765 . . . . 61.119999999999997 111.462 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -61.15 -41.47 96.79 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.013 0.435 . . . . 72.230000000000004 112.004 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.32 -45.31 66.48 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 113.48 0.919 . . . . 55.310000000000002 113.48 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.67 -48.19 82.91 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.475 1.91 . . . . 65.329999999999998 112.98 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.15 94.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.241 1.016 . . . . 61.539999999999999 112.94 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.15 -36.26 83.02 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.134 1.161 . . . . 54.43 114.134 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.57 -27.5 68.67 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 120.655 -1.278 . . . . 73.340000000000003 112.309 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.11 13.53 24.98 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.875 1.67 . . . . 70.340000000000003 114.707 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.83 0.02 62.49 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 121.0 -1.062 . . . . 71.030000000000001 114.271 167.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 141.38 57.71 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.445 1.123 . . . . 74.519999999999996 111.193 163.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -81.51 169.98 16.46 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.467 -2.021 . . . . 74.129999999999995 108.115 169.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.61 -34.9 79.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.601 -1.312 . . . . 53.32 112.74 -173.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.627 1.971 . . . . 72.010000000000005 112.374 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -72.21 -36.13 69.08 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.175 0.99 . . . . 74.430000000000007 112.403 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.853 0.861 . . . . 61.450000000000003 113.311 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.85 -28.46 66.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.737 -1.227 . . . . 71.099999999999994 112.423 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.75 -42.0 96.54 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.964 1.468 . . . . 62.530000000000001 114.964 170.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 55.3 mt -63.09 -41.97 99.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.72 2.054 . . . . 74.329999999999998 112.387 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.87 -39.99 95.51 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.711 -1.243 . . . . 70.409999999999997 112.007 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.73 -42.93 97.83 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.527 -1.358 . . . . 51.409999999999997 112.706 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.87 -45.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.072 0 C-N-CA 124.423 1.089 . . . . 73.409999999999997 110.329 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' A' ' 139' ' ' LEU . 62.1 tttt -59.09 -53.8 54.29 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.795 -0.566 . . . . 75.329999999999998 111.672 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.1 -29.14 64.91 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.2 -0.938 . . . . 70.340000000000003 110.013 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -43.71 86.69 Favored 'General case' 0 C--N 1.361 1.091 0 CA-C-O 122.615 1.198 . . . . 74.040000000000006 111.814 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 100' ' ' VAL . 10.3 m -65.56 -32.1 73.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 114.222 1.193 . . . . 60.140000000000001 114.222 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.08 -25.68 67.12 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.067 1.347 . . . . 75.209999999999994 112.394 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -75.82 -40.35 55.08 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.075 1.75 . . . . 73.200000000000003 109.895 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.8 m -95.48 -29.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 C-N-CA 123.387 0.675 . . . . 74.200000000000003 111.398 -164.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.03 155.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.629 1.204 . . . . 65.219999999999999 113.96 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.4 m -66.67 122.78 18.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.926 -1.109 . . . . 72.040000000000006 111.673 164.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.1 mt -104.58 131.79 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.592 0 C-N-CA 128.558 2.743 . . . . 72.420000000000002 103.602 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -113.24 128.11 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 106.123 -1.806 . . . . 75.409999999999997 106.123 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.65 91.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.438 1.273 . . . . 73.120000000000005 114.438 171.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.88 -39.89 95.24 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.009 1.724 . . . . 51.219999999999999 113.563 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -129.89 96.13 26.91 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.827 -1.082 . . . . 64.209999999999994 109.077 -160.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.47 -13.69 38.07 Favored 'Trans proline' 0 C--N 1.329 -0.499 0 CA-C-N 123.768 2.381 . . . . 64.239999999999995 112.779 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.41 -44.57 71.13 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.144 1.378 . . . . 73.540000000000006 110.919 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -45.44 94.22 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.352 1.061 . . . . 74.430000000000007 111.667 172.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -56.29 -46.37 79.8 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.196 0.453 . . . . 65.549999999999997 111.429 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 tpt -66.52 -48.98 68.05 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.662 -1.274 . . . . 70.209999999999994 114.0 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -45.05 80.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.08 1.352 . . . . 71.530000000000001 112.588 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.45 -41.34 98.67 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.068 0.947 . . . . 73.540000000000006 109.6 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.85 -46.79 86.25 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 121.321 -0.862 . . . . 64.349999999999994 112.595 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.26 97.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 123.949 0.9 . . . . 65.340000000000003 110.87 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.0 ptm -69.85 -29.71 67.02 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 118.852 -0.594 . . . . 70.219999999999999 112.071 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 46.7 t -68.61 -46.97 67.9 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 120.521 1.509 . . . . 74.439999999999998 113.754 166.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.92 -48.58 75.43 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 115.239 1.57 . . . . 54.399999999999999 115.239 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -67.42 -22.85 65.5 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.375 -0.828 . . . . 64.430000000000007 111.988 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -65.18 -43.52 91.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.347 1.07 . . . . 63.32 112.575 176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -67.37 -45.37 76.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.894 1.278 . . . . 61.32 114.253 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.849 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.3 pt -66.53 -22.14 29.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 119.529 -1.982 . . . . 73.120000000000005 114.451 174.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.477 1.111 . . . . 63.109999999999999 111.828 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -71.05 -27.49 63.69 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.263 1.025 . . . . 72.230000000000004 113.239 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.1 mt -68.57 153.28 44.06 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.287 2.235 . . . . 62.329999999999998 115.111 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.13 0.9 52.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.591 1.156 . . . . 72.340000000000003 111.775 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -130.11 155.33 46.37 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.096 -1.446 . . . . 74.099999999999994 107.096 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.15 118.94 41.48 Favored Pre-proline 0 N--CA 1.444 -0.771 0 CA-C-O 118.602 -0.713 . . . . 63.229999999999997 111.499 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.36 154.01 65.7 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.504 2.136 . . . . 70.040000000000006 108.951 155.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -85.46 169.03 14.03 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 106.429 -1.693 . . . . 72.129999999999995 106.429 173.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.51 -33.25 73.5 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.265 -1.522 . . . . 74.209999999999994 112.285 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.59 -41.46 94.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 123.767 0.827 . . . . 64.010000000000005 112.256 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -44.72 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 C-N-CA 126.467 1.907 . . . . 75.209999999999994 112.982 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.48 86.68 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.362 0.875 . . . . 62.219999999999999 113.362 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.37 -29.14 14.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 120.59 -1.318 . . . . 75.129999999999995 107.681 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.35 -41.48 98.13 Favored Glycine 0 C--N 1.357 1.731 0 O-C-N 121.329 -0.857 . . . . 75.409999999999997 114.238 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 13.9 mt-10 -64.19 -37.47 87.6 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.844 1.322 . . . . 55.219999999999999 113.03 174.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 119' ' ' PHE . 58.6 mt -63.95 -51.92 62.13 Favored 'General case' 0 CA--C 1.477 -1.843 0 C-N-CA 124.892 1.277 . . . . 75.129999999999995 113.056 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 56' ' ' ALA . 51.9 mt -69.17 -39.02 79.0 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.817 -1.083 . . . . 75.329999999999998 112.063 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.39 98.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 119.963 -1.711 . . . . 53.329999999999998 113.319 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -91.91 34.58 1.0 Allowed 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.802 -1.186 . . . . 71.129999999999995 111.853 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.262 1.731 0 O-C-N 119.774 -1.829 . . . . 60.539999999999999 114.377 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 N--CA 1.455 -0.739 0 CA-C-O 118.502 -0.707 . . . . 62.530000000000001 113.341 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ttt -69.4 -43.06 74.21 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.973 1.26 . . . . 75.109999999999999 112.397 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.46 -31.02 66.69 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.331 1.052 . . . . 75.239999999999995 112.04 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.75 98.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.01 0.924 . . . . 70.310000000000002 111.738 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -74.19 0.02 15.36 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.328 1.451 . . . . 72.230000000000004 113.875 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -87.71 -48.66 7.69 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.238 -2.164 . . . . 74.0 109.733 163.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.49 -37.03 37.72 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.202 -1.561 . . . . 74.129999999999995 114.456 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.54 -38.65 81.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 127.01 2.124 . . . . 74.319999999999993 110.825 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.51 -9.53 54.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 113.991 -1.459 . . . . 74.030000000000001 109.277 -173.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.55 46.63 14.55 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.662 1.985 . . . . 71.209999999999994 113.081 -176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.86 157.43 48.29 Favored Pre-proline 0 C--N 1.348 0.539 0 C-N-CA 124.541 1.137 . . . . 62.420000000000002 108.869 -175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.8 Cg_endo -75.31 167.09 27.49 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.539 2.159 . . . . 54.109999999999999 113.217 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.59 -25.65 68.06 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.676 2.39 . . . . 61.030000000000001 110.003 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.15 68.86 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.651 1.98 . . . . 65.120000000000005 113.776 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.6 m -102.93 -23.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 120.54 -1.35 . . . . 52.140000000000001 112.051 -172.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -67.91 -31.68 71.63 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.115 -1.616 . . . . 64.430000000000007 110.574 167.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.541 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.64 -21.68 61.05 Favored 'General case' 0 C--N 1.361 1.073 0 O-C-N 121.431 -0.793 . . . . 54.049999999999997 112.627 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.11 -37.57 83.23 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.124 -0.985 . . . . 72.140000000000001 112.78 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 52' ' ' ILE . 19.6 t80 -60.46 -43.88 96.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.276 1.213 . . . . 73.420000000000002 114.276 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.3 p90 -72.33 -33.96 67.72 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 116.476 2.028 . . . . 72.310000000000002 116.476 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -63.53 -21.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.275 1.83 . . . . 72.219999999999999 114.629 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.349 0.569 0 C-N-CA 127.355 2.262 . . . . 75.439999999999998 111.464 177.272 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.956 0.408 . . . . 74.230000000000004 111.259 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -87.69 133.33 33.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.904 0.882 . . . . 63.439999999999998 112.13 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.63 -31.45 70.64 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.077 1.751 . . . . 71.329999999999998 113.834 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 12.5 mt-10 -62.2 -31.34 71.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 115.399 1.629 . . . . 72.129999999999995 115.399 169.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.709 0.766 . . . . 63.450000000000003 110.804 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.27 99.35 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 120.975 -1.078 . . . . 74.200000000000003 114.04 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.81 -41.32 97.92 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.799 1.239 . . . . 50.32 111.382 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.9 -41.51 87.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 121.11 -0.993 . . . . 74.25 112.315 171.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.1 mt -59.75 -46.19 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 O-C-N 120.669 -1.27 . . . . 44.299999999999997 112.889 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -68.27 -28.53 67.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.423 1.268 . . . . 65.299999999999997 114.423 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.52 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.6 t -63.33 -42.87 99.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.889 1.676 . . . . 64.239999999999995 112.387 174.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.09 -37.11 81.54 Favored 'General case' 0 C--N 1.369 1.417 0 CA-C-N 121.088 1.767 . . . . 74.549999999999997 113.814 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.18 -36.05 72.48 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 115.818 1.784 . . . . 52.140000000000001 115.818 -174.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -70.69 -42.1 71.12 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 113.356 0.873 . . . . 65.150000000000006 113.356 165.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.96 46.59 1.37 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.41 -1.431 . . . . 72.230000000000004 113.851 -169.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.79 -12.59 30.84 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 123.54 1.638 . . . . 74.530000000000001 109.394 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.14 -28.18 69.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 127.434 2.294 . . . . 74.120000000000005 110.459 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -23.76 58.71 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.947 2.499 . . . . 52.140000000000001 111.486 -177.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD12 HD13 ' A' ' 68' ' ' LEU . 64.6 mt -76.18 160.6 29.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.855 2.462 . . . . 74.430000000000007 110.826 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.76 146.98 32.04 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.429 -1.419 . . . . 73.400000000000006 111.052 -172.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.64 -30.28 70.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.758 1.392 . . . . 75.319999999999993 114.758 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -58.59 -35.45 72.43 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.106 -1.621 . . . . 75.019999999999996 113.506 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.34 -17.63 58.1 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.948 -1.095 . . . . 72.040000000000006 112.905 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 64.42 27.07 13.58 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.803 2.841 . . . . 73.099999999999994 116.569 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.37 120.46 24.99 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.865 -1.772 . . . . 72.239999999999995 110.34 178.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.13 147.22 38.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.223 -1.769 . . . . 72.030000000000001 106.223 168.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.3 t60 -65.78 129.68 40.63 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.279 1.032 . . . . 74.239999999999995 111.125 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.59 -11.23 72.21 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 124.146 0.879 . . . . 71.329999999999998 114.96 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.69 25.42 9.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.805 1.302 . . . . 75.530000000000001 110.651 -172.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.11 83.06 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 124.758 1.223 . . . . 74.140000000000001 114.276 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.6 mtm -61.05 -39.02 88.26 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.761 1.164 . . . . 72.120000000000005 112.42 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.84 -45.31 44.05 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 112.985 0.735 . . . . 72.329999999999998 112.985 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 69.7 t80 -61.52 -45.1 95.62 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.352 1.861 . . . . 74.219999999999999 113.025 176.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.93 -41.78 83.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 121.207 -0.933 . . . . 40.039999999999999 112.697 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.1 mtm -63.53 -37.46 87.39 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 114.501 1.297 . . . . 72.510000000000005 114.501 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -61.5 -27.1 68.34 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.806 -1.184 . . . . 63.140000000000001 112.49 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.25 14.66 21.56 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.591 1.556 . . . . 72.329999999999998 114.6 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.35 -2.56 61.09 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 121.106 -0.996 . . . . 65.140000000000001 113.844 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 143.52 56.02 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.465 -1.021 . . . . 71.040000000000006 111.663 165.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -80.97 170.99 15.55 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 119.508 -1.995 . . . . 62.030000000000001 108.418 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.19 -34.63 78.52 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.588 -1.32 . . . . 71.099999999999994 112.683 -172.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.5 80.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.136 1.774 . . . . 71.310000000000002 112.59 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.49 -36.37 73.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.954 -1.092 . . . . 60.200000000000003 111.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.44 88.46 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.179 1.392 . . . . 73.099999999999994 112.818 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -75.49 -25.66 57.51 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.717 0.807 . . . . 75.230000000000004 111.915 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -42.05 97.05 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.81 1.411 . . . . 70.409999999999997 114.81 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.77 -41.83 99.41 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 121.239 1.836 . . . . 64.439999999999998 112.333 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.094 -1.004 . . . . 70.25 111.822 172.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.74 -42.66 97.82 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.458 -1.401 . . . . 53.310000000000002 112.57 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.42 -45.14 93.8 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 124.458 1.103 . . . . 74.129999999999995 110.17 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.89 -56.41 22.62 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 121.862 -0.524 . . . . 61.030000000000001 112.046 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -68.32 -29.16 67.85 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.46 -0.775 . . . . 73.310000000000002 110.91 -174.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.0 t -66.74 -40.07 88.17 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 122.533 1.158 . . . . 52.350000000000001 113.337 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.467 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -69.27 -34.64 75.06 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.22 1.408 . . . . 74.420000000000002 114.424 172.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.35 -32.11 70.95 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.065 -1.022 . . . . 74.400000000000006 111.601 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -83.33 -20.4 34.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.537 0.735 . . . . 74.150000000000006 111.721 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.16 -29.51 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 121.495 -0.753 . . . . 73.439999999999998 111.169 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 157.18 6.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 114.692 1.367 . . . . 73.450000000000003 114.692 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 m -70.53 127.74 33.74 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.975 -1.078 . . . . 73.030000000000001 112.22 164.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 HG12 HG23 ' A' ' 111' ' ' THR . 77.3 mt -110.98 132.48 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.687 0 C-N-CA 129.847 3.259 . . . . 64.340000000000003 103.201 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.0 t -115.6 128.17 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 106.153 -1.795 . . . . 75.129999999999995 106.153 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.75 96.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 114.727 1.38 . . . . 73.010000000000005 114.727 173.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.38 -38.78 92.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.225 1.81 . . . . 75.219999999999999 112.978 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.63 89.93 42.13 Favored Pre-proline 0 C--N 1.349 0.554 0 CA-C-O 118.699 -0.667 . . . . 61.32 109.98 -158.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -69.35 -13.16 35.23 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.742 2.295 . . . . 75.319999999999993 112.73 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.65 -44.36 78.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.994 1.318 . . . . 63.520000000000003 110.482 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.14 95.45 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.156 0.982 . . . . 53.140000000000001 111.822 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' ILE . 77.2 m -56.58 -46.45 80.79 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 112.935 0.716 . . . . 72.109999999999999 112.935 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -46.69 74.12 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 117.392 2.367 . . . . 74.430000000000007 117.392 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -44.61 88.0 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.238 -1.539 . . . . 74.010000000000005 112.784 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.97 -41.7 99.62 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.902 0.881 . . . . 71.109999999999999 109.695 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.42 -46.52 85.98 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 121.603 -0.685 . . . . 73.209999999999994 112.061 175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.825 1.25 . . . . 61.43 110.837 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -72.64 -27.38 62.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.309 -0.377 . . . . 72.439999999999998 110.96 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.86 -46.75 56.85 Favored 'General case' 0 C--N 1.369 1.45 0 O-C-N 120.73 -1.231 . . . . 75.340000000000003 113.466 166.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.1 t80 -55.64 -47.39 76.72 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 114.879 1.436 . . . . 61.450000000000003 114.879 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -62.46 -33.15 74.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 121.979 0.895 . . . . 71.530000000000001 110.856 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 122.478 1.132 . . . . 64.530000000000001 111.703 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -67.64 -46.23 73.03 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 115.279 1.585 . . . . 75.519999999999996 115.279 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.1 pt -67.48 -21.2 27.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 118.596 -2.565 . . . . 55.409999999999997 115.453 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -61.78 -41.23 97.46 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.751 1.22 . . . . 75.420000000000002 111.612 168.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -76.02 -24.42 55.24 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 121.742 0.782 . . . . 32.32 113.103 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.86 154.05 42.71 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.419 2.288 . . . . 64.450000000000003 115.508 -172.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -84.05 0.17 49.3 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.994 1.318 . . . . 61.350000000000001 111.836 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -134.79 155.98 49.66 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.237 -1.764 . . . . 72.150000000000006 106.237 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.39 37.75 Favored Pre-proline 0 N--CA 1.444 -0.767 0 CA-C-O 118.504 -0.76 . . . . 71.129999999999995 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.58 151.79 70.12 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.623 2.215 . . . . 74.510000000000005 109.532 157.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.3 p -84.46 168.86 15.1 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.968 -1.493 . . . . 61.420000000000002 106.968 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.52 -29.34 70.49 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.277 -1.515 . . . . 74.209999999999994 113.09 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.32 -38.4 83.59 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.988 0.915 . . . . 72.319999999999993 111.858 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -45.38 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 C-N-CA 127.474 2.309 . . . . 74.299999999999997 111.144 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.58 84.72 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.416 -1.427 . . . . 72.430000000000007 113.966 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.35 -30.19 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 C-N-CA 118.298 -1.361 . . . . 74.420000000000002 109.101 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -43.04 99.18 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-O 119.273 -0.737 . . . . 74.120000000000005 114.219 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.92 -35.35 79.79 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.446 1.623 . . . . 74.430000000000007 113.038 178.017 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.2 mt -63.39 -51.11 67.18 Favored 'General case' 0 CA--C 1.474 -1.952 0 C-N-CA 124.721 1.209 . . . . 74.439999999999998 112.434 172.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.3 mt -70.03 -40.9 74.91 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.281 -1.327 . . . . 74.040000000000006 111.706 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.82 92.18 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 120.267 -1.521 . . . . 75.120000000000005 114.094 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.92 29.62 3.0 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.835 -1.166 . . . . 73.239999999999995 111.496 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.1 t . . . . . 0 C--O 1.265 1.88 0 O-C-N 119.761 -1.837 . . . . 62.329999999999998 113.474 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.455 -0.765 0 CA-C-O 118.682 -0.632 . . . . 74.530000000000001 112.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ttt -72.16 -42.77 65.55 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.596 1.089 . . . . 73.430000000000007 111.741 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.41 -32.26 69.81 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.179 0.992 . . . . 70.349999999999994 112.07 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.77 96.27 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 121.171 -0.956 . . . . 70.329999999999998 111.956 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.57 -2.27 16.42 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.907 1.283 . . . . 71.040000000000006 114.455 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.16 -49.11 7.99 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.426 -2.046 . . . . 74.430000000000007 110.378 163.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.67 -36.92 36.99 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.206 -1.559 . . . . 75.099999999999994 114.65 -173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.43 -37.94 79.39 Favored 'General case' 0 CA--C 1.495 -1.148 0 C-N-CA 127.59 2.356 . . . . 53.329999999999998 110.351 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.64 -9.57 49.12 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.206 -1.361 . . . . 60.329999999999998 109.376 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.15 46.51 15.89 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.802 2.041 . . . . 64.409999999999997 113.268 -175.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.94 156.89 49.63 Favored Pre-proline 0 C--N 1.348 0.525 0 C-N-CA 124.232 1.013 . . . . 74.129999999999995 108.912 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -75.27 166.5 28.75 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.49 2.127 . . . . 64.209999999999994 113.719 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.75 -25.69 68.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.723 2.409 . . . . 74.409999999999997 110.343 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.22 69.18 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 126.333 1.853 . . . . 74.420000000000002 114.418 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG11 ' CD ' ' A' ' 47' ' ' GLU . 4.6 m -103.15 -26.52 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 118.741 -1.184 . . . . 61.439999999999998 110.935 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -64.91 -28.3 69.44 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 118.551 -2.593 . . . . 74.129999999999995 111.239 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -74.18 -18.62 60.74 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-O 122.004 0.907 . . . . 53.310000000000002 113.197 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -72.6 -30.05 64.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 121.365 -0.834 . . . . 73.099999999999994 110.842 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.405 ' CD2' HG12 ' A' ' 52' ' ' ILE . 14.6 t80 -63.32 -45.48 91.13 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 114.015 1.117 . . . . 74.219999999999999 114.015 172.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.4 p90 -71.47 -34.27 70.04 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.127 -1.608 . . . . 75.010000000000005 115.137 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.48 -17.25 64.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.201 1.4 . . . . 65.129999999999995 114.442 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 C--N 1.349 0.571 0 C-N-CA 126.885 2.074 . . . . 71.420000000000002 110.973 176.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.142 0.496 . . . . 74.430000000000007 111.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -87.05 134.47 33.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.384 1.073 . . . . 74.340000000000003 111.86 -167.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -59.76 -32.7 70.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.505 1.922 . . . . 63.009999999999998 113.533 -173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.8 mt-10 -63.01 -30.13 71.36 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 116.502 2.038 . . . . 72.049999999999997 116.502 169.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.84 89.23 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 118.612 0.642 . . . . 73.219999999999999 111.359 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.19 97.13 Favored Glycine 0 CA--C 1.488 -1.606 0 O-C-N 120.513 -1.367 . . . . 72.129999999999995 112.949 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.317 1.047 . . . . 74.340000000000003 110.977 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.31 -42.44 84.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 O-C-N 121.278 -0.888 . . . . 74.019999999999996 111.95 172.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.8 mt -60.12 -45.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.76 -1.213 . . . . 72.340000000000003 112.418 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.89 -28.47 67.54 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.917 1.451 . . . . 72.129999999999995 114.917 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.9 t -64.44 -41.17 96.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.135 1.774 . . . . 55.0 112.695 173.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.61 -38.75 85.74 Favored 'General case' 0 C--N 1.367 1.338 0 CA-C-N 122.405 2.366 . . . . 74.25 112.782 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.35 -36.87 66.77 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 126.051 1.74 . . . . 74.329999999999998 114.404 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.81 -18.43 44.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.234 -0.916 . . . . 71.129999999999995 112.144 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.67 33.52 4.93 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.037 1.735 . . . . 70.010000000000005 112.707 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.5 mt -78.75 -23.8 45.17 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 119.889 -1.757 . . . . 75.409999999999997 110.692 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.96 -25.56 67.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 126.766 2.026 . . . . 71.25 111.359 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -28.97 65.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.405 2.282 . . . . 51.530000000000001 111.55 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD12 HD13 ' A' ' 68' ' ' LEU . 66.1 mt -68.86 161.56 28.37 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.961 2.104 . . . . 71.299999999999997 112.833 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -63.75 131.43 47.85 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.087 -1.008 . . . . 72.209999999999994 112.64 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.91 -27.28 69.26 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.623 -1.298 . . . . 61.450000000000003 113.306 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.22 -35.05 69.2 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.711 -1.243 . . . . 75.340000000000003 113.396 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.19 -12.72 59.11 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.618 -1.301 . . . . 63.32 112.708 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 62.08 27.02 16.31 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.976 2.51 . . . . 75.129999999999995 116.45 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.13 122.53 27.47 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.01 -1.681 . . . . 74.049999999999997 111.453 178.231 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.58 144.76 36.02 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.59 -2.004 . . . . 74.340000000000003 105.59 165.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.96 138.64 54.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.692 1.711 . . . . 75.409999999999997 115.152 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.95 -12.31 69.46 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 112.594 -2.094 . . . . 61.100000000000001 114.725 -172.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 31.16 6.36 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.861 1.331 . . . . 64.010000000000005 110.985 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.11 88.72 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.341 1.237 . . . . 71.340000000000003 114.341 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.0 mtp -61.7 -40.42 94.96 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 119.606 1.094 . . . . 72.409999999999997 112.768 -175.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.23 -44.87 67.69 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 113.038 0.755 . . . . 71.239999999999995 113.038 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.54 -48.14 83.1 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.789 2.035 . . . . 74.299999999999997 113.047 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.05 94.18 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.074 -1.016 . . . . 71.420000000000002 113.331 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.9 -35.15 79.71 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.908 1.077 . . . . 73.519999999999996 113.908 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.21 -28.19 68.97 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.76 -1.213 . . . . 55.140000000000001 112.631 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.81 14.15 22.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 125.915 1.686 . . . . 74.150000000000006 114.529 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.89 -1.54 63.41 Favored Glycine 0 C--N 1.35 1.357 0 O-C-N 121.128 -0.982 . . . . 50.310000000000002 114.075 167.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.19 140.69 58.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 118.472 1.136 . . . . 74.120000000000005 111.581 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -80.99 169.82 17.03 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 119.525 -1.984 . . . . 74.439999999999998 108.169 168.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -34.81 79.21 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.605 -1.309 . . . . 63.229999999999997 112.62 -172.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.7 86.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.362 1.865 . . . . 63.25 112.538 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -68.07 -39.25 83.0 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.482 1.113 . . . . 75.540000000000006 112.341 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.21 87.41 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 123.651 0.78 . . . . 72.230000000000004 112.985 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.54 -28.4 65.97 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.869 -1.144 . . . . 74.400000000000006 111.976 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.05 -43.0 99.54 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 115.314 1.598 . . . . 71.340000000000003 115.314 170.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.2 mt -63.35 -41.62 98.86 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 121.622 2.01 . . . . 73.420000000000002 112.181 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.99 -39.97 95.33 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.756 -1.215 . . . . 74.019999999999996 112.006 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.09 -42.42 96.95 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.35 -1.468 . . . . 50.119999999999997 112.549 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.66 -45.28 94.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 124.513 1.125 . . . . 72.120000000000005 109.925 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -59.76 -53.81 53.66 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 121.787 -0.57 . . . . 72.140000000000001 111.61 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.01 -24.88 59.63 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 120.738 -1.226 . . . . 71.519999999999996 111.476 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -64.92 -43.86 91.43 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-O 122.715 1.245 . . . . 73.400000000000006 111.714 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.477 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.96 -32.25 73.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.669 1.359 . . . . 54.039999999999999 114.669 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.49 -26.55 67.98 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 125.174 1.389 . . . . 74.319999999999993 112.312 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -77.37 -42.84 34.91 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.08 1.752 . . . . 63.140000000000001 110.164 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' CYS . 21.1 m -83.9 -34.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.367 0.667 . . . . 72.420000000000002 112.391 -171.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.43 155.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 122.726 1.25 . . . . 72.319999999999993 114.103 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -67.14 123.57 20.66 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.882 -1.136 . . . . 72.099999999999994 111.718 164.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -104.39 132.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 C-N-CA 128.822 2.849 . . . . 73.319999999999993 103.767 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -112.68 128.21 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 N-CA-C 106.103 -1.814 . . . . 51.25 106.103 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.3 89.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.245 1.202 . . . . 73.510000000000005 114.245 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -64.25 -38.08 89.78 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.778 1.631 . . . . 61.100000000000001 114.583 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -130.56 98.89 19.42 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-O 117.58 -1.2 . . . . 63.140000000000001 109.15 -162.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.77 -13.97 38.1 Favored 'Trans proline' 0 C--N 1.326 -0.629 0 CA-C-N 124.048 2.482 . . . . 71.120000000000005 112.628 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.2 -45.13 67.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.102 1.361 . . . . 54.340000000000003 110.909 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -45.09 96.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.922 -1.111 . . . . 72.5 112.007 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -56.72 -46.38 81.32 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.444 0.565 . . . . 50.329999999999998 111.733 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.82 -48.77 70.58 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.712 -1.242 . . . . 74.129999999999995 113.82 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -45.45 78.03 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.817 1.247 . . . . 70.200000000000003 112.847 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.36 -41.11 98.34 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.027 0.931 . . . . 64.239999999999995 109.375 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.02 -46.8 85.88 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.472 -0.767 . . . . 53.439999999999998 112.564 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.26 99.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 124.381 1.072 . . . . 70.239999999999995 111.072 -173.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -71.09 -29.48 65.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.025 -0.534 . . . . 73.349999999999994 111.674 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.4 t -69.58 -46.67 65.81 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-N 120.383 1.447 . . . . 64.310000000000002 113.7 166.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.2 t80 -55.63 -48.07 75.56 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.029 1.492 . . . . 72.439999999999998 115.029 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.2 tptt -62.01 -31.8 72.23 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.628 1.171 . . . . 60.130000000000003 112.344 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.63 98.43 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.249 1.023 . . . . 75.010000000000005 112.189 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.19 -46.27 71.12 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.17 1.388 . . . . 75.420000000000002 114.259 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 126' ' ' LEU . 15.3 pt -66.17 -22.57 30.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.07 -2.269 . . . . 74.120000000000005 114.39 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.58 -37.24 85.41 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.546 1.138 . . . . 73.150000000000006 111.752 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.28 -26.21 58.59 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.986 0.914 . . . . 74.049999999999997 112.664 -174.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.4 mt -68.9 151.23 46.83 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.478 2.311 . . . . 75.420000000000002 115.483 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -84.59 0.03 51.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.748 -1.569 . . . . 53.130000000000003 112.563 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -131.02 154.99 47.6 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.47 -1.678 . . . . 72.140000000000001 106.47 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.64 117.68 42.16 Favored Pre-proline 0 N--CA 1.443 -0.806 0 CA-C-O 118.508 -0.758 . . . . 74.530000000000001 111.333 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.07 146.85 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.26 1.973 . . . . 63.5 108.901 155.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.5 t -79.69 165.44 22.84 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.822 -0.807 . . . . 73.310000000000002 108.822 164.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -30.83 71.48 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.815 -1.178 . . . . 73.540000000000006 112.31 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.82 -42.08 92.7 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 112.673 0.62 . . . . 75.109999999999999 112.673 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -84.42 -44.69 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 126.482 1.913 . . . . 73.340000000000003 114.163 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.342 -0.849 . . . . 73.340000000000003 113.109 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.14 -28.58 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.139 0 O-C-N 120.925 -1.109 . . . . 70.120000000000005 108.346 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.8 99.78 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.934 -0.925 . . . . 74.439999999999998 113.878 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.98 -36.95 86.07 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.417 1.609 . . . . 72.140000000000001 113.242 174.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 119' ' ' PHE . 59.5 mt -62.52 -51.56 66.92 Favored 'General case' 0 CA--C 1.481 -1.689 0 N-CA-C 113.369 0.877 . . . . 74.430000000000007 113.369 171.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 56' ' ' ALA . 46.6 mt -69.58 -40.06 76.94 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 114.862 -1.063 . . . . 70.319999999999993 111.439 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.28 94.22 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.126 -1.609 . . . . 73.0 113.466 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -95.93 32.99 1.77 Allowed 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.004 -1.06 . . . . 70.019999999999996 111.363 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.025 -1.672 . . . . 63.25 114.506 179.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 N--CA 1.455 -0.762 0 CA-C-O 117.622 -1.074 . . . . 73.019999999999996 114.747 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.2 mtp -64.77 -43.67 92.49 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.079 1.763 . . . . 72.319999999999993 113.567 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.35 -31.51 67.45 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 121.035 -1.04 . . . . 75.299999999999997 111.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.08 94.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 113.329 0.863 . . . . 73.129999999999995 113.329 168.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.3 m -60.21 -44.19 95.35 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.334 0.97 . . . . 73.219999999999999 110.345 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -59.3 -42.94 92.51 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 119.638 -1.914 . . . . 72.129999999999995 112.627 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.22 -39.74 47.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.549 1.314 . . . . 60.509999999999998 114.549 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.59 -39.7 85.02 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 127.589 2.356 . . . . 75.209999999999994 110.209 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -87.7 -6.44 58.21 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.104 -0.953 . . . . 61.340000000000003 110.231 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.49 46.22 21.03 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.309 2.244 . . . . 74.540000000000006 113.634 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.01 158.2 44.69 Favored Pre-proline 0 C--N 1.349 0.583 0 C-N-CA 124.55 1.14 . . . . 75.040000000000006 108.95 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.487 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -74.5 167.11 27.89 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.536 2.157 . . . . 73.310000000000002 113.418 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.34 -33.42 73.6 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.063 2.545 . . . . 71.25 109.415 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.41 64.58 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.84 2.456 . . . . 75.519999999999996 113.784 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.9 m -100.0 -26.47 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 120.631 -1.293 . . . . 72.409999999999997 111.989 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.2 ptm -65.36 -34.19 77.73 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.551 -1.343 . . . . 73.219999999999999 112.282 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -71.49 -22.64 61.77 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.256 1.027 . . . . 44.439999999999998 111.88 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.21 -32.81 72.33 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.189 0.996 . . . . 63.350000000000001 110.782 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' HG12 ' A' ' 52' ' ' ILE . 10.6 t80 -61.19 -47.36 86.47 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 113.703 1.001 . . . . 74.340000000000003 113.703 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 44.6 p90 -71.68 -30.43 65.68 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 120.068 -1.645 . . . . 75.5 114.704 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.87 -5.01 14.58 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 114.494 1.294 . . . . 75.439999999999998 114.494 171.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.357 0.932 0 C-N-CA 124.827 1.251 . . . . 73.0 109.468 170.187 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.763 0.316 . . . . 55.439999999999998 111.83 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -87.99 134.54 33.71 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.061 0.944 . . . . 72.430000000000007 112.394 -168.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -60.13 -32.81 71.36 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.274 1.829 . . . . 75.219999999999999 113.677 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.8 mt-10 -62.63 -31.69 72.59 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.71 1.744 . . . . 70.349999999999994 115.71 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.16 -41.92 89.51 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.952 0.882 . . . . 72.239999999999995 110.479 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -41.07 99.91 Favored Glycine 0 CA--C 1.492 -1.395 0 C-N-CA 124.466 1.032 . . . . 61.350000000000001 113.76 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.87 -41.51 95.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.178 0.991 . . . . 65.140000000000001 111.456 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.2 -41.22 86.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 120.913 -1.117 . . . . 54.310000000000002 112.153 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 33' ' ' PHE . 42.7 mt -59.06 -45.84 92.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 O-C-N 120.311 -1.493 . . . . 62.130000000000003 113.362 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.03 -29.18 68.91 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 114.367 1.247 . . . . 63.210000000000001 114.367 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.1 t -62.42 -42.36 99.39 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.137 1.375 . . . . 73.319999999999993 112.131 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -38.05 83.35 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-N 121.042 1.746 . . . . 73.450000000000003 114.322 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.45 -37.74 76.06 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 115.035 1.495 . . . . 64.420000000000002 115.035 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 -41.83 77.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.115 0.959 . . . . 64.329999999999998 112.81 167.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -92.02 43.95 1.15 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.573 -1.329 . . . . 75.530000000000001 113.526 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.3 mt -89.35 -23.36 22.25 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 123.494 1.616 . . . . 65.150000000000006 109.75 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.79 -15.78 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.12 1.368 . . . . 54.43 112.397 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.83 -25.88 60.31 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.613 1.965 . . . . 53.420000000000002 111.928 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 68' ' ' LEU . 62.2 mt -75.11 162.34 28.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.395 2.278 . . . . 63.530000000000001 110.83 -172.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.01 142.51 41.84 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 120.646 -1.284 . . . . 71.340000000000003 112.909 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -63.38 -28.98 70.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.88 -1.138 . . . . 64.129999999999995 113.736 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.61 -36.83 72.29 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.541 -1.35 . . . . 61.049999999999997 113.009 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -80.8 -11.52 59.59 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.888 -1.132 . . . . 74.040000000000006 112.737 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 62.4 25.67 15.31 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 128.033 2.533 . . . . 70.209999999999994 116.546 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.75 122.51 27.76 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 119.959 -1.713 . . . . 63.5 111.119 178.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -142.12 154.55 44.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.155 -1.794 . . . . 63.25 106.155 167.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -72.36 139.63 48.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.746 1.26 . . . . 74.040000000000006 112.704 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.61 -14.33 64.28 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 115.833 1.093 . . . . 70.209999999999994 115.833 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -115.98 45.14 1.79 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.036 1.418 . . . . 73.340000000000003 109.4 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.82 90.63 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 124.742 1.217 . . . . 74.400000000000006 113.248 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.69 -40.6 95.57 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 119.686 1.13 . . . . 71.010000000000005 112.57 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.26 -44.95 74.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.195 0.813 . . . . 64.510000000000005 113.195 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.67 -49.17 78.57 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.137 1.775 . . . . 75.530000000000001 113.342 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 124.59 1.156 . . . . 64.409999999999997 112.996 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 96.5 mtp -63.93 -36.03 82.61 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 113.822 1.045 . . . . 72.340000000000003 113.822 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -61.21 -27.8 68.69 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.655 -1.278 . . . . 71.230000000000004 112.595 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.26 13.66 20.6 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 125.668 1.587 . . . . 70.140000000000001 114.458 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.94 -0.58 62.62 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 121.039 -1.038 . . . . 74.329999999999998 114.251 167.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.42 57.73 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.498 1.149 . . . . 63.549999999999997 111.721 164.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -81.34 168.41 18.43 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.494 -2.004 . . . . 72.099999999999994 107.875 168.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.07 -35.19 80.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.653 -1.279 . . . . 70.140000000000001 112.663 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.81 84.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.221 1.808 . . . . 53.439999999999998 112.265 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -70.15 -36.67 74.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.964 -1.085 . . . . 75.140000000000001 112.397 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.03 88.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.247 0.832 . . . . 71.510000000000005 113.247 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -68.75 -27.64 66.09 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.772 -1.205 . . . . 72.439999999999998 112.253 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.96 -42.29 97.99 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 115.152 1.538 . . . . 73.340000000000003 115.152 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.444 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.2 mt -63.04 -41.84 99.61 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 121.641 2.019 . . . . 65.120000000000005 112.264 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.03 -40.64 96.77 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.036 -1.04 . . . . 71.030000000000001 111.878 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.53 -42.84 98.41 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 120.544 -1.347 . . . . 63.439999999999998 112.526 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.39 -45.61 93.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.406 1.083 . . . . 54.109999999999999 110.293 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.92 -56.91 16.15 Favored 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 122.106 -0.371 . . . . 60.0 111.989 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -68.6 -29.51 68.06 Favored 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 121.424 -0.798 . . . . 75.129999999999995 110.865 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -66.42 -43.08 86.71 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.246 1.022 . . . . 73.010000000000005 112.219 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.3 m -65.55 -32.06 73.44 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.096 1.358 . . . . 73.049999999999997 114.657 174.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.09 -29.62 69.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.021 -1.049 . . . . 70.430000000000007 111.359 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -70.65 -41.34 72.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.795 2.438 . . . . 72.409999999999997 110.098 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.4 m -94.55 -28.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 115.675 -0.693 . . . . 70.129999999999995 111.156 -164.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.6 157.09 6.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-O 122.78 1.276 . . . . 55.329999999999998 113.738 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -69.34 124.07 22.87 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.814 -1.179 . . . . 60.240000000000002 111.757 164.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.4 mt -104.47 131.93 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 0 C-N-CA 129.413 3.085 . . . . 74.510000000000005 103.52 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.34 127.7 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 N-CA-C 106.427 -1.694 . . . . 53.240000000000002 106.427 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.58 94.43 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.762 1.393 . . . . 74.349999999999994 114.762 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.81 -39.08 93.39 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.317 1.847 . . . . 74.400000000000006 112.797 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.55 97.95 18.73 Favored Pre-proline 0 C--N 1.349 0.565 0 CA-C-O 118.103 -0.951 . . . . 72.420000000000002 110.857 -159.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.17 -13.7 36.63 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 CA-C-N 123.549 2.303 . . . . 74.310000000000002 112.918 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.37 -45.52 72.56 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.04 1.336 . . . . 64.439999999999998 110.898 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -45.51 93.68 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.353 1.061 . . . . 74.430000000000007 112.609 168.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 m -57.39 -46.41 83.48 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.163 0.892 . . . . 73.150000000000006 112.81 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -46.83 75.5 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 117.667 2.469 . . . . 75.230000000000004 117.667 169.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -44.58 84.03 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.23 -1.544 . . . . 53.020000000000003 112.717 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.75 -41.29 99.13 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.847 0.859 . . . . 71.239999999999995 109.385 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.63 -46.8 84.06 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 121.427 -0.795 . . . . 72.510000000000005 112.521 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.67 97.56 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.608 1.163 . . . . 71.329999999999998 111.038 -174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.0 ptp -67.77 -31.96 72.21 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.015 -0.539 . . . . 72.109999999999999 111.482 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.4 t -70.69 -46.61 62.83 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 120.246 1.384 . . . . 73.239999999999995 113.68 169.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.75 -48.4 75.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.967 1.469 . . . . 70.219999999999999 114.967 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.8 tptt -63.88 -29.63 70.79 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.637 0.732 . . . . 54.32 112.201 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.81 -43.3 99.11 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 122.335 1.064 . . . . 74.340000000000003 111.882 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -67.76 -46.22 72.68 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 125.363 1.465 . . . . 74.549999999999997 114.72 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 126' ' ' LEU . 36.1 pt -66.77 -21.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 O-C-N 118.542 -2.599 . . . . 74.510000000000005 115.78 172.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.11 -37.89 89.0 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.004 0.921 . . . . 74.019999999999996 111.625 168.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -76.17 -25.16 54.98 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 121.416 -0.802 . . . . 74.340000000000003 112.952 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.0 mt -68.19 153.09 44.44 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.215 2.206 . . . . 73.239999999999995 115.178 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -0.17 54.44 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.756 1.222 . . . . 70.140000000000001 111.758 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -131.01 154.88 47.71 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 106.771 -1.566 . . . . 74.230000000000004 106.771 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.97 118.2 42.86 Favored Pre-proline 0 N--CA 1.443 -0.793 0 CA-C-O 118.57 -0.729 . . . . 74.540000000000006 111.352 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.46 152.39 70.83 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.582 2.188 . . . . 74.329999999999998 108.849 156.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.6 p -83.2 167.59 17.57 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 106.419 -1.697 . . . . 43.509999999999998 106.419 172.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.6 -31.54 72.4 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.252 -1.53 . . . . 54.109999999999999 112.526 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -60.65 -40.28 91.46 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.385 -0.822 . . . . 51.32 112.493 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.37 -45.08 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 C-N-CA 126.266 1.827 . . . . 74.430000000000007 112.285 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.21 84.21 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 113.275 0.842 . . . . 73.519999999999996 113.275 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.94 -27.8 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.081 0 C-N-CA 118.667 -1.213 . . . . 71.510000000000005 108.715 175.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.44 99.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.091 -0.838 . . . . 71.120000000000005 113.784 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.0 mt-10 -64.92 -36.34 84.06 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.216 1.508 . . . . 71.510000000000005 113.451 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . 0.267 59.4 mt -62.51 -53.53 53.33 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 121.366 -0.834 . . . . 72.450000000000003 112.87 172.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 56' ' ' ALA . 62.0 mt -68.6 -39.7 80.76 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 114.808 -1.087 . . . . 73.019999999999996 112.637 -177.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.61 92.37 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.275 -1.515 . . . . 71.409999999999997 113.34 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.03 34.72 1.68 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.349 -0.845 . . . . 63.43 111.272 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 10.3 t . . . . . 0 C--O 1.261 1.677 0 O-C-N 119.978 -1.701 . . . . 63.119999999999997 114.289 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 118.517 -0.701 . . . . 54.219999999999999 113.702 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.2 tpp -70.41 -42.5 71.56 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.949 1.249 . . . . 73.510000000000005 112.059 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.21 -32.94 71.07 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.42 1.088 . . . . 74.329999999999998 111.81 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.06 95.42 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 121.226 -0.921 . . . . 74.230000000000004 111.694 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.0 m -70.5 -1.12 9.92 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.541 1.536 . . . . 75.549999999999997 114.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -47.77 7.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 119.618 -1.926 . . . . 72.400000000000006 110.1 164.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -79.53 -36.73 38.0 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.564 -1.96 . . . . 62.109999999999999 114.599 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -59.35 -38.0 79.28 Favored 'General case' 0 CA--C 1.493 -1.224 0 C-N-CA 128.006 2.522 . . . . 73.329999999999998 110.308 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.77 -7.19 57.63 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.214 -1.357 . . . . 74.409999999999997 109.255 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.13 46.04 19.69 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.205 2.602 . . . . 70.349999999999994 113.52 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.37 160.57 35.48 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 124.537 1.135 . . . . 44.25 110.56 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.1 Cg_endo -72.0 163.73 37.89 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.582 2.188 . . . . 71.129999999999995 113.387 170.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.99 -25.84 68.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.575 2.75 . . . . 65.219999999999999 109.862 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.07 77.63 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.092 1.757 . . . . 42.32 113.14 174.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.7 m -83.08 -34.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 O-C-N 120.262 -1.524 . . . . 71.140000000000001 112.598 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -68.5 -31.78 71.29 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 119.835 -1.791 . . . . 71.299999999999997 111.542 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.55 -16.53 60.25 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 121.187 -0.946 . . . . 73.230000000000004 112.366 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.9 -37.71 80.2 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.362 -0.836 . . . . 71.209999999999994 112.578 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.61 -40.62 92.49 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.052 1.13 . . . . 74.519999999999996 114.052 169.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -65.36 -42.34 92.89 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 119.769 -1.832 . . . . 62.329999999999998 113.642 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -65.16 -24.99 67.55 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.127 2.171 . . . . 53.0 114.483 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.347 0.459 0 C-N-CA 127.597 2.359 . . . . 74.420000000000002 111.887 -179.138 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 CA--C 1.515 -0.403 0 CA-C-O 120.888 0.375 . . . . 71.420000000000002 110.042 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -86.12 126.94 34.57 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.319 1.048 . . . . 72.230000000000004 108.742 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.66 -34.73 71.55 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.493 1.917 . . . . 72.129999999999995 113.056 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.06 -24.03 65.02 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 117.986 2.587 . . . . 73.439999999999998 117.986 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.79 68.44 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 119.762 1.165 . . . . 53.409999999999997 109.078 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.22 99.28 Favored Glycine 0 CA--C 1.492 -1.381 0 C-N-CA 124.807 1.194 . . . . 52.420000000000002 114.648 169.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.9 -37.45 81.73 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 119.183 1.492 . . . . 73.409999999999997 111.79 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.88 -41.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 O-C-N 121.119 -0.988 . . . . 64.209999999999994 112.052 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.0 mt -59.77 -46.82 93.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 O-C-N 120.419 -1.426 . . . . 63.350000000000001 112.748 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.4 -27.21 66.02 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 114.81 1.411 . . . . 64.409999999999997 114.81 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.481 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.5 t -63.58 -44.62 93.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.928 1.291 . . . . 75.519999999999996 111.994 172.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.92 -38.2 90.02 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 121.492 1.951 . . . . 63.219999999999999 113.274 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.89 -36.69 72.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 115.363 1.616 . . . . 65.239999999999995 115.363 -174.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.32 -41.75 63.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.833 0.825 . . . . 71.329999999999998 112.455 167.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.28 48.39 1.49 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.618 -1.301 . . . . 70.0 113.479 -169.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 68' ' ' LEU . 83.9 mt -94.25 -10.63 32.3 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.714 1.721 . . . . 71.109999999999999 108.98 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.2 -32.47 73.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 128.122 2.569 . . . . 61.329999999999998 109.701 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.17 -28.07 66.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.224 3.01 . . . . 73.349999999999994 111.519 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' LEU . 73.6 mt -71.75 158.92 35.25 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.399 2.28 . . . . 73.319999999999993 111.642 -175.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.71 148.73 28.82 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 120.832 -1.167 . . . . 53.329999999999998 110.369 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -61.25 -31.78 71.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.33 1.233 . . . . 72.129999999999995 114.33 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.19 -29.47 68.72 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.635 -1.291 . . . . 72.349999999999994 114.335 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ptp -84.55 -6.94 59.41 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.704 1.138 . . . . 74.230000000000004 112.343 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.3 m120 65.57 16.89 10.72 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.794 2.838 . . . . 74.099999999999994 116.129 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -85.26 122.76 29.91 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.953 -1.717 . . . . 72.510000000000005 110.976 -176.219 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -140.5 151.3 44.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.565 -1.642 . . . . 74.329999999999998 106.565 165.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.528 ' HE1' HG22 ' A' ' 143' ' ' THR . 10.9 t60 -65.47 132.85 49.97 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.168 0.987 . . . . 73.5 111.03 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.72 58.94 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.21 0.91 . . . . 63.210000000000001 114.77 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -100.92 23.64 10.38 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.228 1.411 . . . . 72.430000000000007 111.392 -167.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.95 78.84 Favored 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 125.677 1.591 . . . . 71.510000000000005 114.136 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 65.4 mtt -60.87 -39.62 89.89 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.866 0.757 . . . . 71.140000000000001 112.415 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -75.24 -44.37 46.47 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.538 0.735 . . . . 74.319999999999993 112.893 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.91 -47.78 84.37 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.074 2.149 . . . . 64.150000000000006 113.212 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.18 95.65 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 121.127 -0.983 . . . . 65.25 112.98 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.77 -36.52 84.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.189 0.996 . . . . 72.010000000000005 113.607 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -61.61 -28.46 69.38 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.825 -1.172 . . . . 73.230000000000004 112.596 172.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.59 13.74 23.19 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.739 1.616 . . . . 74.439999999999998 114.775 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.6 1.34 64.0 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.017 -1.052 . . . . 74.25 114.346 167.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.25 140.96 57.39 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.487 1.144 . . . . 60.109999999999999 111.006 163.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -82.77 171.59 13.79 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.756 -1.84 . . . . 73.030000000000001 108.396 170.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.87 -32.71 74.54 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.393 -1.442 . . . . 53.509999999999998 112.903 -171.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.8 -45.81 73.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.778 1.631 . . . . 72.420000000000002 112.249 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -64.37 -40.93 96.82 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.427 1.891 . . . . 64.129999999999995 113.377 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.97 88.09 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.919 0.866 . . . . 74.510000000000005 112.841 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -27.52 61.83 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.567 -1.333 . . . . 74.200000000000003 111.99 175.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -43.13 98.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.466 1.654 . . . . 75.219999999999999 115.466 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.28 -40.94 98.8 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.866 2.121 . . . . 74.420000000000002 112.168 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.18 -40.45 96.13 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.987 -1.071 . . . . 71.25 112.008 172.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' A' ' 95' ' ' HIS . 39.0 t70 -65.02 -40.26 94.62 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.122 1.369 . . . . 70.310000000000002 113.867 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.39 -45.84 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 120.616 -1.303 . . . . 70.540000000000006 110.469 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -66.67 -44.5 81.63 Favored 'General case' 0 CA--C 1.492 -1.259 0 C-N-CA 118.569 -1.252 . . . . 63.329999999999998 109.023 -171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 92' ' ' ASP . 2.4 p80 -64.73 -34.79 79.14 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.812 1.292 . . . . 71.150000000000006 108.382 -171.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 t -66.08 -39.76 90.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.334 -1.757 . . . . 42.340000000000003 112.248 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.5 ' HA ' HG22 ' A' ' 100' ' ' VAL . 36.1 m -69.72 -36.83 76.22 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.209 1.189 . . . . 73.030000000000001 114.209 169.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.43 -32.49 71.41 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.665 -1.272 . . . . 51.329999999999998 112.118 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -82.93 -20.08 36.01 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.617 1.167 . . . . 64.129999999999995 111.758 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.8 m -100.85 -32.13 3.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 O-C-N 121.492 -0.755 . . . . 54.149999999999999 111.248 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -69.78 154.22 8.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 122.811 1.291 . . . . 65.0 114.36 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -66.7 126.34 28.68 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.911 -1.118 . . . . 54.109999999999999 112.093 165.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.416 HG12 HG23 ' A' ' 111' ' ' THR . 72.9 mt -111.32 132.46 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 C-N-CA 129.298 3.039 . . . . 74.129999999999995 103.317 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 t -115.45 127.72 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 105.926 -1.879 . . . . 61.049999999999997 105.926 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.42 91.84 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.404 1.261 . . . . 73.340000000000003 114.404 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -64.9 -37.89 89.16 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.532 1.533 . . . . 71.140000000000001 114.309 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -128.56 92.24 41.27 Favored Pre-proline 0 C--N 1.35 0.614 0 CA-C-O 118.017 -0.992 . . . . 64.310000000000002 109.565 -163.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.87 -13.54 38.77 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.635 2.224 . . . . 75.230000000000004 112.676 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.79 -44.13 78.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.125 1.37 . . . . 70.049999999999997 110.733 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.7 95.54 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.575 1.15 . . . . 61.039999999999999 111.138 173.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.416 HG23 HG12 ' A' ' 103' ' ' ILE . 79.3 m -56.45 -46.87 80.1 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 112.658 0.614 . . . . 74.519999999999996 112.658 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -46.78 76.53 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 116.579 2.066 . . . . 74.299999999999997 116.579 171.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -45.06 87.97 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.465 -1.397 . . . . 72.519999999999996 112.875 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.23 -41.82 99.16 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.009 0.923 . . . . 73.109999999999999 109.828 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.94 -46.8 86.04 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 121.628 -0.67 . . . . 62.240000000000002 112.161 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.91 98.91 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.885 1.274 . . . . 53.210000000000001 110.414 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -73.86 -28.89 61.81 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 110.761 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 45.9 t -70.22 -46.12 65.14 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.678 -1.264 . . . . 74.340000000000003 113.422 166.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.7 t80 -55.0 -47.45 74.65 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 115.255 1.576 . . . . 74.430000000000007 115.255 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 123' ' ' ILE . 33.3 ttpt -61.56 -33.15 73.35 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-O 122.077 0.942 . . . . 61.149999999999999 110.951 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.84 -42.56 99.19 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 122.481 1.134 . . . . 64.019999999999996 112.118 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.82 -46.15 69.37 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 125.084 1.354 . . . . 71.25 114.467 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.832 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -66.33 -22.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 O-C-N 119.139 -2.226 . . . . 72.5 114.29 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.77 -40.85 96.6 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.697 1.199 . . . . 60.439999999999998 111.683 169.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -72.02 -27.49 62.76 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.927 0.891 . . . . 61.100000000000001 113.218 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -68.16 152.09 46.01 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 127.055 2.142 . . . . 75.219999999999999 115.389 -171.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -87.34 1.02 54.53 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.875 1.27 . . . . 63.210000000000001 111.754 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -130.48 154.84 47.35 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 106.521 -1.659 . . . . 75.239999999999995 106.521 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.34 118.65 43.48 Favored Pre-proline 0 N--CA 1.445 -0.702 0 CA-C-O 118.551 -0.738 . . . . 62.450000000000003 111.66 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.5 153.87 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.505 2.137 . . . . 52.140000000000001 108.803 155.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -84.22 168.18 15.97 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 106.27 -1.752 . . . . 74.400000000000006 106.27 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.97 -33.36 74.15 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.235 -1.54 . . . . 63.399999999999999 112.471 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -60.4 -40.68 91.79 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.419 -0.801 . . . . 55.329999999999998 112.277 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.37 -45.26 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 126.278 1.831 . . . . 63.420000000000002 112.881 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.35 -47.07 85.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 121.399 -0.813 . . . . 34.329999999999998 113.007 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.25 -29.87 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 119.02 -1.072 . . . . 54.350000000000001 108.663 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.78 99.56 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 121.53 -0.731 . . . . 31.52 114.047 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 14.6 mt-10 -64.24 -38.27 90.43 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.583 1.191 . . . . 74.200000000000003 113.208 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 119' ' ' PHE . 43.9 mt -64.71 -50.45 66.9 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.438 1.095 . . . . 74.0 113.315 173.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 56' ' ' ALA . 52.6 mt -67.81 -39.37 83.98 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.934 -1.03 . . . . 62.240000000000002 111.735 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.04 95.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 114.584 1.327 . . . . 72.120000000000005 114.584 171.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -98.15 38.29 1.34 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.607 -1.308 . . . . 72.519999999999996 112.106 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.528 HG22 ' HE1' ' A' ' 70' ' ' HIS . 15.2 t . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.544 -1.972 . . . . 74.140000000000001 112.916 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.778 0 CA-C-O 118.202 -0.833 . . . . 72.219999999999999 113.472 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.9 mtp -68.81 -43.41 75.66 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.372 1.442 . . . . 75.099999999999994 112.569 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.23 -31.56 67.71 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 121.335 -0.853 . . . . 75.349999999999994 111.992 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.62 92.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.237 1.015 . . . . 63.310000000000002 112.565 173.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.0 m -75.73 -0.15 19.86 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.29 . . . . 65.219999999999999 113.239 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.77 -48.38 8.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 119.425 -2.047 . . . . 72.409999999999997 109.869 164.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -81.18 -36.14 30.53 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.071 -1.643 . . . . 74.430000000000007 114.367 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.43 -38.25 80.18 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 127.158 2.183 . . . . 73.439999999999998 110.919 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.23 -9.52 52.7 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 113.865 -1.516 . . . . 63.109999999999999 109.215 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.24 46.82 15.14 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.965 2.106 . . . . 63.420000000000002 113.226 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.27 157.07 47.99 Favored Pre-proline 0 C--N 1.347 0.461 0 C-N-CA 124.467 1.107 . . . . 55.420000000000002 108.702 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.5 Cg_endo -75.07 167.02 27.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.423 2.082 . . . . 55.409999999999997 113.103 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.08 -24.76 67.82 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.361 2.664 . . . . 71.519999999999996 109.985 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.98 69.65 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 126.987 2.115 . . . . 41.409999999999997 113.637 175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.5 m -104.59 -24.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 118.642 -1.223 . . . . 72.129999999999995 111.735 -171.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -67.56 -30.45 70.08 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.158 -1.589 . . . . 42.140000000000001 110.892 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.528 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -73.66 -21.08 60.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.795 0.807 . . . . 62.5 112.176 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.18 -38.17 85.56 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.284 -0.885 . . . . 53.310000000000002 112.585 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.2 t80 -59.93 -44.24 94.45 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 114.304 1.224 . . . . 75.019999999999996 114.304 174.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 46.5 p90 -72.37 -33.91 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 116.349 1.981 . . . . 72.519999999999996 116.349 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.32 -19.98 65.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.922 1.689 . . . . 64.319999999999993 114.91 169.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--N 1.349 0.579 0 C-N-CA 127.135 2.174 . . . . 73.349999999999994 111.252 177.274 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.081 0.467 . . . . 42.149999999999999 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -90.1 132.4 35.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.052 0.941 . . . . 70.530000000000001 111.642 -165.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.26 -32.52 71.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.711 1.604 . . . . 72.200000000000003 113.9 -174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.4 mt-10 -62.18 -29.12 70.14 Favored 'General case' 0 CA--C 1.493 -1.238 0 N-CA-C 115.597 1.703 . . . . 62.25 115.597 170.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.08 86.58 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 118.702 0.683 . . . . 74.439999999999998 112.085 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.95 92.96 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 120.154 -1.591 . . . . 74.140000000000001 113.17 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.9 m -63.55 -41.76 98.41 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.478 1.111 . . . . 64.129999999999995 110.73 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.11 -42.32 84.93 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 121.445 -0.784 . . . . 61.450000000000003 111.831 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.3 mt -59.87 -46.2 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 O-C-N 120.701 -1.249 . . . . 64.010000000000005 112.966 -174.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.29 -29.16 68.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 113.711 1.004 . . . . 65.239999999999995 113.711 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.04 -41.68 99.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.912 1.685 . . . . 32.32 112.56 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.09 -37.28 79.48 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 121.241 1.837 . . . . 73.140000000000001 113.857 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.46 -38.29 68.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.043 1.497 . . . . 75.010000000000005 115.043 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.06 -38.59 79.15 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.042 0.925 . . . . 62.329999999999998 113.247 170.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -97.68 33.47 2.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.19 1.796 . . . . 75.329999999999998 112.743 -167.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -77.98 -31.08 50.54 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 120.163 -1.586 . . . . 61.0 111.154 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.34 -14.96 55.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.129 1.372 . . . . 62.200000000000003 113.138 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.02 -27.62 57.43 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.034 1.734 . . . . 70.200000000000003 111.716 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 68' ' ' LEU . 62.6 mt -67.81 163.29 22.13 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.0 2.52 . . . . 75.239999999999995 112.203 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.45 122.1 15.42 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.192 -0.942 . . . . 74.319999999999993 111.769 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.164 1.386 . . . . 53.43 113.733 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -55.92 -34.91 66.03 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 125.117 1.367 . . . . 64.109999999999999 113.616 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 ptp -79.41 -15.47 57.78 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 120.695 -1.253 . . . . 73.150000000000006 111.788 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 61.23 34.35 18.76 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.289 2.636 . . . . 70.430000000000007 116.428 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -80.88 122.28 27.02 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.205 -1.559 . . . . 73.120000000000005 110.925 176.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.45 150.42 43.8 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.22 -1.03 . . . . 72.420000000000002 108.22 165.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.38 129.52 40.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 122.375 1.083 . . . . 74.430000000000007 113.437 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 -10.99 73.15 Favored Glycine 0 C--N 1.35 1.327 0 C-N-CA 125.193 1.377 . . . . 74.230000000000004 115.469 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.39 24.41 12.18 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.191 1.496 . . . . 65.340000000000003 111.759 -169.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.79 84.0 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 114.256 1.206 . . . . 50.43 114.256 -171.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.82 -40.51 93.05 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.444 1.02 . . . . 71.120000000000005 112.38 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -73.62 -44.5 56.89 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 113.297 0.851 . . . . 72.420000000000002 113.297 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 57.4 t80 -60.38 -46.96 88.1 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 127.081 2.152 . . . . 62.5 113.076 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.95 90.67 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.946 -1.096 . . . . 71.409999999999997 113.732 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 72.8 mtm -63.6 -35.46 80.59 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 113.986 1.106 . . . . 63.240000000000002 113.986 173.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.29 -27.3 68.38 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.797 -1.189 . . . . 72.319999999999993 112.439 172.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -95.87 14.15 24.39 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.905 1.682 . . . . 61.149999999999999 114.867 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.98 -0.12 64.17 Favored Glycine 0 C--N 1.35 1.327 0 O-C-N 121.002 -1.061 . . . . 62.340000000000003 114.004 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 140.96 58.13 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.292 1.046 . . . . 74.239999999999995 111.23 163.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -81.99 171.77 14.03 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.583 -1.948 . . . . 74.120000000000005 107.957 168.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.02 -34.23 77.54 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.504 -1.372 . . . . 65.200000000000003 112.566 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.9 83.56 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.693 1.997 . . . . 72.129999999999995 112.822 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -67.78 -38.99 84.1 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.484 1.113 . . . . 72.230000000000004 112.012 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.07 83.29 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.723 0.773 . . . . 62.32 112.691 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -69.53 -29.52 67.14 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.86 -1.15 . . . . 75.400000000000006 112.136 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.13 -43.47 98.83 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 115.451 1.649 . . . . 74.430000000000007 115.451 170.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.2 mt -63.84 -41.37 97.84 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 121.584 1.993 . . . . 64.349999999999994 112.324 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.32 -40.37 97.13 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.976 -1.078 . . . . 61.219999999999999 111.892 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.38 -42.73 96.0 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.295 -1.503 . . . . 64.450000000000003 112.497 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.42 -45.28 93.7 Favored 'Isoleucine or valine' 0 C--N 1.362 1.133 0 C-N-CA 124.861 1.264 . . . . 73.230000000000004 109.95 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -59.4 -51.98 67.6 Favored 'General case' 0 CA--C 1.487 -1.476 0 O-C-N 121.714 -0.616 . . . . 71.430000000000007 111.826 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 88.6 m-70 -74.94 -26.61 59.73 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 120.854 -1.154 . . . . 51.100000000000001 111.075 -175.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -67.58 -41.47 84.07 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 114.504 1.298 . . . . 72.109999999999999 114.504 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.448 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.2 m -67.28 -41.24 85.82 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 115.289 1.589 . . . . 44.340000000000003 115.289 169.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.574 ' CG ' ' HA ' ' A' ' 95' ' ' HIS . 1.3 pp20? -69.08 -17.51 63.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.366 -1.459 . . . . 64.209999999999994 113.94 -171.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -86.82 -21.43 26.45 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.417 0.687 . . . . 72.299999999999997 112.781 173.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 97' ' ' CYS . 32.6 m -97.34 -28.09 3.77 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 O-C-N 120.785 -1.197 . . . . 55.329999999999998 111.667 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.458 HG12 ' HA ' ' A' ' 98' ' ' GLU . 1.6 pt -69.94 157.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 N-CA-C 115.147 1.536 . . . . 72.209999999999994 115.147 176.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.0 m -67.57 127.66 33.56 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.341 1.067 . . . . 62.43 112.532 164.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.8 mt -114.17 132.52 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.67 0 C-N-CA 129.782 3.233 . . . . 73.120000000000005 103.099 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 t -115.09 127.98 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 105.758 -1.941 . . . . 64.340000000000003 105.758 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.43 92.22 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 114.546 1.313 . . . . 74.230000000000004 114.546 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -65.3 -37.78 88.21 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.577 1.551 . . . . 31.539999999999999 114.623 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -125.92 96.65 37.05 Favored Pre-proline 0 C--N 1.349 0.556 0 CA-C-O 117.811 -1.09 . . . . 74.219999999999999 108.368 -163.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.56 -12.59 33.61 Favored 'Trans proline' 0 C--N 1.33 -0.443 0 CA-C-N 123.843 2.408 . . . . 71.409999999999997 112.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.6 m -74.0 -43.5 57.82 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.009 1.324 . . . . 74.319999999999993 110.458 -173.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -44.18 97.5 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.983 -1.073 . . . . 74.400000000000006 111.401 173.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.9 m -54.55 -46.98 73.74 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.61 0.764 . . . . 74.439999999999998 111.11 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.21 -47.91 63.52 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.63 -1.293 . . . . 74.329999999999998 114.227 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.38 81.57 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.489 1.515 . . . . 71.329999999999998 112.717 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.91 -41.47 97.94 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.955 0.902 . . . . 73.109999999999999 109.334 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.78 -46.22 86.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.441 -0.787 . . . . 72.239999999999995 112.934 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.35 98.66 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 124.651 1.18 . . . . 74.430000000000007 110.909 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 15.8 ptp -69.38 -30.91 69.0 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 118.999 -0.524 . . . . 75.120000000000005 111.118 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.0 t -71.11 -46.12 62.32 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 120.218 1.372 . . . . 73.200000000000003 113.24 168.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.0 t80 -54.6 -48.53 72.05 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 114.883 1.438 . . . . 70.140000000000001 114.883 174.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 123' ' ' ILE . 29.0 tptp -62.75 -30.61 71.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.352 1.061 . . . . 75.019999999999996 112.487 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.492 1.139 . . . . 74.019999999999996 112.397 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -68.23 -46.35 70.78 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.87 1.268 . . . . 55.439999999999998 114.139 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.1 pt -66.74 -22.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 119.178 -2.201 . . . . 72.25 114.082 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.22 -41.44 98.39 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 124.661 1.184 . . . . 71.439999999999998 111.898 168.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.3 -25.35 57.85 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 113.282 0.845 . . . . 75.150000000000006 113.282 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.6 mt -67.04 152.57 45.54 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.305 2.242 . . . . 72.219999999999999 115.225 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.93 1.06 53.9 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.866 1.266 . . . . 70.010000000000005 111.747 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -129.24 154.87 46.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 106.616 -1.624 . . . . 73.109999999999999 106.616 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.32 118.64 39.52 Favored Pre-proline 0 N--CA 1.445 -0.709 0 CA-C-O 118.444 -0.789 . . . . 61.009999999999998 111.444 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.71 147.57 63.5 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.466 2.11 . . . . 54.420000000000002 109.165 156.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.1 t -80.43 167.31 20.34 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 109.026 -0.731 . . . . 50.039999999999999 109.026 164.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.74 -33.36 73.91 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.799 -1.188 . . . . 75.329999999999998 111.822 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -59.27 -41.48 88.98 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.59 0.756 . . . . 74.010000000000005 112.134 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.77 -44.63 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 C-N-CA 126.678 1.991 . . . . 71.319999999999993 114.492 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.69 -47.89 79.37 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.591 0.96 . . . . 75.319999999999993 113.591 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 m -79.17 -28.63 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 120.751 -1.218 . . . . 74.310000000000002 108.232 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.13 -44.14 97.64 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.105 -0.83 . . . . 44.030000000000001 114.299 -173.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.7 mt-10 -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.107 1.453 . . . . 65.200000000000003 113.217 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -62.06 -55.29 30.54 Favored 'General case' 0 CA--C 1.478 -1.826 0 O-C-N 121.663 -0.648 . . . . 61.420000000000002 112.61 170.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 56' ' ' ALA . 72.7 mt -67.14 -40.58 86.76 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.652 -0.704 . . . . 65.0 112.725 -176.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.61 84.42 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.505 -1.372 . . . . 73.409999999999997 113.704 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.19 0.84 55.59 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 121.309 -0.869 . . . . 73.329999999999998 111.935 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.26 1.616 0 O-C-N 120.526 -1.359 . . . . 63.149999999999999 113.025 177.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 N--CA 1.454 -0.797 0 CA-C-O 118.557 -0.685 . . . . 74.530000000000001 113.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.1 tpt -71.04 -42.63 69.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.592 1.087 . . . . 71.409999999999997 111.494 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.91 -32.36 69.28 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.587 1.155 . . . . 71.109999999999999 112.018 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.71 96.42 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.152 0.981 . . . . 74.109999999999999 113.027 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.7 m -60.37 -44.64 95.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.384 -0.822 . . . . 70.340000000000003 110.377 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.41 -43.28 93.05 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.908 -1.745 . . . . 73.450000000000003 111.756 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.56 -40.46 42.33 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.849 1.426 . . . . 64.010000000000005 114.849 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.76 -39.47 88.88 Favored 'General case' 0 CA--C 1.486 -1.505 0 C-N-CA 126.705 2.002 . . . . 63.030000000000001 110.574 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.5 mt -82.87 -7.44 59.66 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.816 -1.084 . . . . 55.229999999999997 110.393 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 57.1 45.28 21.1 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.545 2.338 . . . . 73.349999999999994 113.362 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.57 158.0 46.29 Favored Pre-proline 0 C--N 1.351 0.638 0 C-N-CA 124.059 0.944 . . . . 51.020000000000003 109.497 -173.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.9 Cg_endo -74.96 166.06 30.02 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.264 1.976 . . . . 74.439999999999998 113.443 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.06 -26.43 68.55 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 128.316 2.646 . . . . 64.129999999999995 109.93 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.89 72.13 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.279 1.832 . . . . 54.149999999999999 113.837 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.5 m -99.57 -22.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 O-C-N 120.196 -1.565 . . . . 72.120000000000005 111.974 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.86 -31.91 72.06 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 120.094 -1.629 . . . . 50.039999999999999 111.089 169.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -76.21 -16.83 59.76 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.069 -1.019 . . . . 74.409999999999997 112.711 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.74 -38.0 80.52 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.316 -0.865 . . . . 74.25 112.641 169.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.28 -41.58 93.65 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.502 1.297 . . . . 62.200000000000003 114.502 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -66.48 -41.46 88.94 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 119.916 -1.74 . . . . 74.409999999999997 113.364 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -65.15 -25.5 67.77 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.985 1.714 . . . . 75.409999999999997 114.334 171.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--N 1.348 0.51 0 C-N-CA 126.789 2.035 . . . . 71.329999999999998 111.845 -177.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 121.08 0.467 . . . . 64.510000000000005 111.345 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -85.55 131.65 34.32 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 124.149 0.98 . . . . 71.400000000000006 112.324 -160.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -59.29 -32.86 70.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 126.889 2.076 . . . . 63.119999999999997 113.131 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.5 mt-10 -63.07 -31.48 72.62 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 116.185 1.92 . . . . 74.319999999999993 116.185 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.35 90.25 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.762 0.71 . . . . 65.129999999999995 111.072 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -38.38 95.52 Favored Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.33 -1.481 . . . . 62.549999999999997 113.106 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.51 -41.44 98.53 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.702 0.801 . . . . 61.43 110.86 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -68.27 -41.89 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 O-C-N 121.281 -0.887 . . . . 75.310000000000002 112.046 172.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.03 -45.84 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 O-C-N 120.818 -1.177 . . . . 33.219999999999999 111.94 -173.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.39 -27.91 66.64 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 114.399 1.259 . . . . 62.100000000000001 114.399 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.5 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.5 t -62.31 -43.16 99.48 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.637 1.575 . . . . 63.530000000000001 112.171 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.08 -36.84 80.72 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 120.894 1.679 . . . . 64.310000000000002 113.433 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.16 -38.91 68.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.487 1.515 . . . . 53.32 114.878 -175.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.32 -36.6 71.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 122.223 1.011 . . . . 73.409999999999997 112.641 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.57 32.86 2.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.883 1.673 . . . . 73.340000000000003 112.631 -167.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.0 mt -79.52 -28.63 41.33 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 119.966 -1.709 . . . . 74.299999999999997 110.87 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.88 -14.92 57.26 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.997 1.319 . . . . 71.439999999999998 112.851 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.71 -27.15 60.26 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.297 1.839 . . . . 60.399999999999999 111.645 172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 68' ' ' LEU . 55.1 mt -69.86 164.55 23.49 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 127.854 2.462 . . . . 61.420000000000002 110.941 -174.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -66.2 135.17 54.13 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.722 -1.236 . . . . 72.230000000000004 110.255 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.13 -27.77 68.63 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.18 -0.95 . . . . 70.340000000000003 112.89 173.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.79 -34.05 72.51 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.561 -1.337 . . . . 75.200000000000003 113.39 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.5 ptm -81.71 -11.28 59.11 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.955 -1.09 . . . . 61.439999999999998 112.213 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 60.8 29.83 19.27 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.172 2.589 . . . . 34.009999999999998 116.322 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.99 121.9 27.11 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.19 -1.569 . . . . 73.109999999999999 110.926 175.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -139.41 153.12 47.55 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.284 -1.006 . . . . 72.450000000000003 108.284 164.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.34 128.06 34.69 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.473 1.13 . . . . 64.109999999999999 113.039 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.33 -10.7 72.88 Favored Glycine 0 C--N 1.347 1.185 0 C-N-CA 125.301 1.429 . . . . 42.549999999999997 115.175 -174.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.68 26.67 9.69 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.045 1.423 . . . . 64.450000000000003 112.029 -167.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.24 85.75 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.572 1.323 . . . . 74.519999999999996 114.572 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mtm -61.15 -39.79 91.4 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.236 0.926 . . . . 73.239999999999995 112.735 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -72.9 -44.69 60.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 121.749 0.785 . . . . 74.120000000000005 113.064 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.91 -46.6 89.98 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 127.399 2.279 . . . . 64.439999999999998 113.321 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.71 99.35 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 120.212 -1.555 . . . . 63.299999999999997 112.92 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -37.91 89.09 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 114.81 1.411 . . . . 75.409999999999997 114.81 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.277 48.8 tptt -59.98 -34.44 73.3 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 125.892 1.677 . . . . 75.109999999999999 113.373 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -89.29 13.86 12.44 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.555 1.542 . . . . 74.129999999999995 115.043 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.2 0.54 61.49 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.997 -1.064 . . . . 63.340000000000003 114.113 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.39 49.05 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 118.295 1.047 . . . . 62.109999999999999 110.438 163.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -84.7 -177.68 6.66 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.721 -2.487 . . . . 74.200000000000003 110.875 161.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.16 -24.69 67.77 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.933 -1.03 . . . . 65.239999999999995 111.018 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.68 -43.79 30.06 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.456 1.122 . . . . 43.210000000000001 112.312 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 mtt -66.94 -39.65 87.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.727 1.611 . . . . 74.239999999999995 112.566 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.39 80.27 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.78 0.8 . . . . 70.430000000000007 113.03 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -31.08 70.83 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.138 -0.976 . . . . 63.439999999999998 111.759 174.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.35 -44.66 96.81 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 115.803 1.779 . . . . 51.340000000000003 115.803 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.1 mt -64.26 -41.15 97.08 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 121.884 2.129 . . . . 73.209999999999994 112.396 176.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.73 -39.96 95.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.927 -1.108 . . . . 73.420000000000002 111.876 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.33 -42.83 96.1 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.338 -1.476 . . . . 71.150000000000006 112.72 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.53 -45.28 94.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 C-N-CA 124.133 0.973 . . . . 73.540000000000006 110.09 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -59.39 -53.86 53.31 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 121.754 -0.591 . . . . 65.129999999999995 111.514 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -71.71 -27.63 63.15 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.127 -0.983 . . . . 72.349999999999994 110.254 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -66.14 -41.15 90.84 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 122.631 1.205 . . . . 63.420000000000002 112.667 172.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -67.76 -35.37 78.58 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.093 1.145 . . . . 73.030000000000001 114.093 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.12 -29.22 68.48 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.025 1.33 . . . . 72.140000000000001 113.051 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -87.07 -19.31 28.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 112.22 0.452 . . . . 74.349999999999994 112.22 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.5 m -100.8 -30.9 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 121.34 -0.85 . . . . 60.149999999999999 111.173 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.29 155.57 7.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-O 122.785 1.279 . . . . 72.430000000000007 114.441 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 m -69.03 126.78 30.9 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.979 -1.076 . . . . 74.109999999999999 111.98 164.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 111' ' ' THR . 71.7 mt -110.0 132.22 58.85 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.666 0 C-N-CA 129.396 3.079 . . . . 63.32 103.253 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.5 t -112.88 128.51 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 N-CA-C 105.641 -1.985 . . . . 63.43 105.641 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.67 91.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.601 1.334 . . . . 51.32 114.601 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.4 -37.48 87.09 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 125.404 1.482 . . . . 65.129999999999995 114.733 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -128.5 92.1 41.84 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-O 118.365 -0.826 . . . . 74.209999999999994 109.032 -162.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -69.25 -13.69 36.39 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 122.735 2.29 . . . . 74.340000000000003 112.545 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -69.9 -43.43 71.78 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.819 1.248 . . . . 73.239999999999995 110.622 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -44.96 96.18 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.127 0.971 . . . . 72.450000000000003 110.929 172.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 103' ' ' ILE . 80.6 m -55.92 -46.58 78.4 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 111.976 0.361 . . . . 74.109999999999999 111.976 175.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.6 tpt -66.58 -48.04 70.85 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.597 -1.315 . . . . 74.099999999999994 113.818 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -44.68 82.65 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.189 1.395 . . . . 51.119999999999997 112.806 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.45 -41.51 98.8 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.177 0.991 . . . . 70.310000000000002 109.442 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.98 -46.99 85.07 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 121.489 -0.757 . . . . 72.540000000000006 112.363 174.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.23 98.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.953 1.301 . . . . 75.540000000000006 111.146 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -71.5 -29.35 64.7 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 119.188 -0.434 . . . . 51.340000000000003 110.982 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -70.22 -46.44 64.5 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 119.921 1.237 . . . . 63.229999999999997 113.489 167.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 76.7 t80 -55.17 -47.12 75.63 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 114.877 1.436 . . . . 72.109999999999999 114.877 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 123' ' ' ILE . 76.2 tttt -61.68 -34.23 75.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.429 1.092 . . . . 75.129999999999995 111.163 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.53 99.02 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.531 1.158 . . . . 64.219999999999999 112.014 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.93 -46.66 70.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 115.144 1.535 . . . . 74.420000000000002 115.144 173.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.823 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.5 pt -66.48 -22.16 29.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 119.034 -2.291 . . . . 74.120000000000005 114.435 174.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.58 -40.63 95.46 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.966 1.306 . . . . 74.319999999999993 111.771 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -74.47 -25.3 59.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.911 0.884 . . . . 74.150000000000006 113.036 -173.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.1 mt -69.1 152.92 44.57 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.225 2.21 . . . . 73.310000000000002 115.282 -172.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.16 1.66 52.35 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.809 1.244 . . . . 62.119999999999997 111.363 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -131.18 155.29 47.29 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 106.763 -1.569 . . . . 74.219999999999999 106.763 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.91 118.93 41.96 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-O 118.576 -0.726 . . . . 70.340000000000003 111.034 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.68 152.32 69.68 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.436 2.091 . . . . 62.329999999999998 108.711 155.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 28.6 p -83.32 167.97 17.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 106.193 -1.781 . . . . 72.239999999999995 106.193 171.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -32.34 72.76 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.34 -1.475 . . . . 62.439999999999998 112.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.17 -40.03 88.52 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.621 0.768 . . . . 75.25 112.537 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.57 -44.41 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.421 1.888 . . . . 72.340000000000003 112.084 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.29 79.9 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 113.479 0.918 . . . . 73.099999999999994 113.479 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.42 -27.43 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 C-N-CA 118.677 -1.209 . . . . 75.420000000000002 108.232 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.75 -43.04 99.54 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.088 -0.84 . . . . 51.32 114.114 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.6 mt-10 -64.52 -36.75 85.2 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.297 1.548 . . . . 74.25 113.699 174.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -62.03 -55.09 32.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 121.404 -0.81 . . . . 75.310000000000002 112.508 171.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.57 HD22 ' HB2' ' A' ' 56' ' ' ALA . 67.1 mt -67.42 -38.08 84.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.605 -0.725 . . . . 74.25 112.498 -175.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.82 96.14 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.1 1.148 . . . . 72.099999999999994 114.1 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.9 -32.81 65.6 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 121.167 -0.958 . . . . 63.130000000000003 111.612 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.259 1.59 0 N-CA-C 115.101 1.519 . . . . 73.5 115.101 -178.025 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 114.794 1.036 . . . . 71.400000000000006 114.794 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -68.04 -42.59 80.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.847 1.658 . . . . 72.040000000000006 112.373 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.78 -30.45 65.57 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 120.667 -1.271 . . . . 74.430000000000007 111.978 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.76 99.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 113.323 0.86 . . . . 73.019999999999996 113.323 168.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 98.3 m -60.2 -43.57 95.83 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.958 -1.089 . . . . 35.229999999999997 110.309 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -43.57 89.92 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.726 -1.859 . . . . 74.409999999999997 112.246 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -77.56 -40.69 41.54 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 115.001 1.482 . . . . 64.549999999999997 115.001 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -60.28 -39.31 86.41 Favored 'General case' 0 CA--C 1.49 -1.352 0 C-N-CA 127.048 2.139 . . . . 73.409999999999997 110.452 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -86.02 -7.06 58.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.98 -1.009 . . . . 71.420000000000002 110.516 -177.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m120 56.52 46.21 20.98 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.002 2.121 . . . . 73.349999999999994 113.72 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.53 158.5 43.17 Favored Pre-proline 0 C--N 1.35 0.614 0 C-N-CA 124.659 1.184 . . . . 72.030000000000001 108.921 -174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.543 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -72.31 164.63 35.04 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.411 2.074 . . . . 74.430000000000007 113.527 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.11 -30.95 71.37 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 129.001 2.921 . . . . 73.319999999999993 109.249 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.25 71.44 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 127.498 2.319 . . . . 64.120000000000005 114.265 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.4 m -98.13 -24.67 4.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.163 -1.586 . . . . 65.209999999999994 112.261 -171.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -32.99 73.95 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.171 -1.581 . . . . 75.120000000000005 110.369 170.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.526 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.1 pp0? -72.95 -19.61 61.21 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-O 121.96 0.886 . . . . 71.200000000000003 112.451 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.35 -38.29 88.94 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 113.951 1.093 . . . . 71.109999999999999 113.951 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.5 t80 -60.62 -46.04 91.77 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.087 1.143 . . . . 72.219999999999999 114.087 175.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.7 p90 -72.36 -32.66 66.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 115.271 1.582 . . . . 74.340000000000003 115.271 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.95 -14.62 60.58 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.935 1.457 . . . . 71.340000000000003 114.935 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.355 0.805 0 C-N-CA 125.431 1.492 . . . . 73.120000000000005 109.688 174.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 CA--C 1.514 -0.416 0 CA-C-O 120.79 0.328 . . . . 61.329999999999998 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.34 133.83 33.98 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 121.341 -0.849 . . . . 64.310000000000002 111.821 -163.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.73 -33.47 71.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.278 1.831 . . . . 73.140000000000001 113.221 -173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.547 ' CD ' HG11 ' A' ' 29' ' ' VAL . 6.4 mt-10 -63.88 -29.04 70.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 116.541 2.052 . . . . 71.510000000000005 116.541 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.7 -42.29 83.42 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 118.947 0.794 . . . . 63.329999999999998 111.674 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.37 94.22 Favored Glycine 0 CA--C 1.494 -1.279 0 O-C-N 120.095 -1.628 . . . . 54.409999999999997 113.108 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.75 -42.18 97.89 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.814 1.246 . . . . 75.439999999999998 110.733 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.54 -42.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 121.343 -0.848 . . . . 75.109999999999999 111.654 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.5 mt -59.29 -45.59 93.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 O-C-N 120.271 -1.518 . . . . 54.5 113.094 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.94 -28.49 68.33 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 114.135 1.161 . . . . 62.32 114.135 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.27 1.428 . . . . 53.399999999999999 112.625 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.85 -36.72 79.86 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-N 121.031 1.742 . . . . 73.420000000000002 113.584 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.67 -38.3 72.02 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 115.353 1.612 . . . . 74.140000000000001 115.353 -175.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.91 -41.06 71.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 122.071 0.939 . . . . 72.409999999999997 112.913 168.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.72 45.19 1.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.559 -1.338 . . . . 64.120000000000005 113.453 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.47 -22.29 20.48 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 123.241 1.496 . . . . 73.239999999999995 109.722 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -16.75 63.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.978 1.311 . . . . 65.310000000000002 112.035 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.89 -27.94 64.18 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.753 2.021 . . . . 72.129999999999995 111.892 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD12 HD13 ' A' ' 68' ' ' LEU . 52.0 mt -75.39 160.7 29.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.334 2.254 . . . . 73.120000000000005 110.856 -172.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.66 144.05 34.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.815 -1.178 . . . . 61.409999999999997 109.915 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.07 -28.27 68.95 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.173 1.175 . . . . 64.140000000000001 114.173 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.2 -35.65 71.94 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.479 -1.388 . . . . 71.239999999999995 113.514 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.43 -17.37 56.47 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.777 -1.202 . . . . 75.140000000000001 112.747 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 65.94 24.37 11.17 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.453 2.701 . . . . 74.420000000000002 117.359 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.12 122.27 27.15 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.888 -1.758 . . . . 74.430000000000007 110.65 176.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -138.5 146.15 41.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.337 -1.357 . . . . 71.409999999999997 107.337 165.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' HE1' ' O ' ' A' ' 143' ' ' THR . 8.1 t60 -65.64 130.78 44.5 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.342 1.057 . . . . 70.519999999999996 111.006 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.86 -12.05 68.61 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 124.206 0.908 . . . . 53.130000000000003 114.955 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -102.15 22.36 13.35 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.694 1.247 . . . . 52.240000000000002 111.454 -171.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -42.96 80.72 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 124.78 1.232 . . . . 73.049999999999997 114.293 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.7 mtp -60.96 -37.83 83.79 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.042 -1.036 . . . . 73.140000000000001 112.638 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.2 -45.34 26.91 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.363 0.875 . . . . 63.329999999999998 113.363 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 36.7 t80 -60.53 -44.36 96.16 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.771 2.029 . . . . 54.310000000000002 113.736 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -58.05 -41.62 83.68 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.066 0.946 . . . . 75.319999999999993 112.563 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.91 -37.45 87.45 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.739 1.216 . . . . 72.439999999999998 113.895 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.74 -26.51 68.11 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.94 -1.1 . . . . 73.129999999999995 112.55 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -96.63 14.27 25.43 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 125.476 1.511 . . . . 70.129999999999995 114.757 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 0.91 64.13 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 120.959 -1.088 . . . . 32.299999999999997 114.411 166.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.23 141.94 57.1 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 118.573 1.186 . . . . 73.239999999999995 110.886 162.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -82.9 172.74 12.49 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 119.429 -2.044 . . . . 72.340000000000003 108.641 170.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.69 -31.82 73.21 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.413 -1.43 . . . . 65.450000000000003 112.857 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.27 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.443 1.497 . . . . 74.430000000000007 112.455 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.15 -40.48 96.23 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.051 2.14 . . . . 72.319999999999993 113.078 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.07 89.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.604 1.162 . . . . 74.239999999999995 112.855 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -76.59 -26.88 55.51 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.502 0.721 . . . . 74.219999999999999 112.367 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -60.13 -42.26 94.44 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.029 1.492 . . . . 75.219999999999999 115.029 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.64 -41.22 98.91 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 121.307 1.867 . . . . 74.239999999999995 112.544 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.93 -40.68 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.107 -0.996 . . . . 63.140000000000001 111.757 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.54 -42.59 95.64 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.312 1.445 . . . . 50.140000000000001 112.655 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.47 -44.65 93.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.107 0 C-N-CA 124.6 1.16 . . . . 62.340000000000003 110.115 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -57.53 -57.77 11.22 Favored 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 122.007 -0.433 . . . . 74.200000000000003 111.915 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.15 -29.71 68.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 O-C-N 121.348 -0.845 . . . . 60.409999999999997 111.116 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.7 t -66.19 -43.55 86.49 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 122.482 1.134 . . . . 61.140000000000001 111.914 172.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' HG22 ' A' ' 100' ' ' VAL . 7.8 m -66.09 -29.95 70.38 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 115.18 1.548 . . . . 62.200000000000003 115.18 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.5 -28.93 69.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.814 1.246 . . . . 63.350000000000001 111.015 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -74.56 -42.16 59.29 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 127.06 2.144 . . . . 73.519999999999996 109.514 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 97' ' ' CYS . 23.0 m -86.84 -32.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 123.134 0.574 . . . . 73.239999999999995 111.737 -168.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.7 157.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-O 122.833 1.302 . . . . 64.409999999999997 114.162 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 m -68.89 125.8 27.76 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.845 -1.159 . . . . 72.409999999999997 112.14 164.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.1 mt -107.82 132.12 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 129.169 2.988 . . . . 63.219999999999999 103.398 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.2 t -113.26 128.42 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.966 -1.864 . . . . 72.400000000000006 105.966 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.49 89.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.267 1.21 . . . . 60.450000000000003 114.267 171.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.36 -38.49 91.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 125.499 1.52 . . . . 74.120000000000005 114.292 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -128.63 98.62 24.76 Favored Pre-proline 0 N--CA 1.445 -0.686 0 CA-C-O 117.762 -1.114 . . . . 63.240000000000002 109.33 -162.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.5 -13.31 37.13 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 123.838 2.406 . . . . 74.450000000000003 112.873 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.86 -44.5 63.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.696 1.199 . . . . 52.140000000000001 111.046 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -44.83 96.62 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 120.91 -1.119 . . . . 74.140000000000001 111.817 172.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.2 m -55.06 -47.39 74.91 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.924 0.89 . . . . 63.119999999999997 110.952 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.8 tpt -69.51 -47.51 63.55 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.567 -1.333 . . . . 74.400000000000006 114.411 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.91 83.68 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.733 1.213 . . . . 74.409999999999997 112.478 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.1 -41.01 97.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 123.948 0.899 . . . . 64.239999999999995 109.432 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.95 -47.17 84.35 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 121.392 -0.817 . . . . 64.549999999999997 112.616 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.92 98.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.167 0.987 . . . . 62.119999999999997 111.014 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.18 -29.79 66.75 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 118.951 -0.547 . . . . 73.430000000000007 111.908 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.3 t -68.79 -46.49 68.57 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 120.635 1.561 . . . . 74.129999999999995 113.897 167.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.511 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.09 -48.08 74.04 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 114.689 1.366 . . . . 73.349999999999994 114.689 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.698 ' HD2' HD11 ' A' ' 123' ' ' ILE . 28.9 mmmt -64.0 -28.11 69.58 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.659 0.784 . . . . 75.319999999999993 112.232 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -64.35 -43.0 95.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-O 122.282 1.039 . . . . 34.409999999999997 112.222 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.57 -45.97 74.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.658 1.355 . . . . 63.100000000000001 114.658 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 126' ' ' LEU . 19.1 pt -66.73 -22.13 29.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 119.347 -2.096 . . . . 73.439999999999998 114.742 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.67 -40.49 95.11 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 124.668 1.187 . . . . 61.25 111.585 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -72.08 -27.07 62.43 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.273 1.029 . . . . 63.109999999999999 113.363 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -68.57 153.18 44.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.263 2.225 . . . . 71.239999999999995 115.228 -173.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.94 -0.77 55.36 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.811 1.244 . . . . 71.019999999999996 111.826 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -129.66 153.68 47.88 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 106.306 -1.738 . . . . 73.450000000000003 106.306 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.08 118.18 40.59 Favored Pre-proline 0 N--CA 1.444 -0.73 0 CA-C-O 118.481 -0.771 . . . . 52.229999999999997 111.242 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.0 154.02 63.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.387 2.058 . . . . 71.420000000000002 109.846 158.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -85.68 170.46 12.49 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 106.981 -1.488 . . . . 74.420000000000002 106.981 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.28 -32.73 72.56 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.274 -1.516 . . . . 73.409999999999997 112.483 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.19 -37.07 79.12 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.614 1.166 . . . . 72.040000000000006 112.297 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.05 -44.87 13.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.124 2.169 . . . . 70.349999999999994 111.138 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.2 81.08 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.426 -1.421 . . . . 74.150000000000006 114.207 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.38 -28.21 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 120.315 -1.491 . . . . 75.239999999999995 108.896 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.14 96.97 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 119.394 -0.67 . . . . 55.210000000000001 114.526 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -69.27 -30.53 68.65 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 119.411 1.606 . . . . 72.040000000000006 113.219 178.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 119' ' ' PHE . 42.8 mt -63.18 -59.95 4.07 Favored 'General case' 0 CA--C 1.474 -1.975 0 C-N-CA 123.612 0.765 . . . . 75.420000000000002 111.124 168.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 56' ' ' ALA . 74.0 mt -65.83 -37.17 85.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.938 0.718 . . . . 72.439999999999998 112.938 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.77 92.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.833 1.42 . . . . 75.230000000000004 114.833 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -80.06 -30.3 39.35 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.588 -1.32 . . . . 43.140000000000001 110.893 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 70' ' ' HIS . 75.3 m . . . . . 0 C--O 1.259 1.57 0 N-CA-C 115.864 1.802 . . . . 61.009999999999998 115.864 -175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo . . . . . 0 N--CA 1.456 -0.731 0 N-CA-C 114.52 0.931 . . . . 71.310000000000002 114.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.6 mtt -75.45 -43.02 51.81 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.048 1.295 . . . . 63.450000000000003 112.39 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -32.56 66.46 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 121.286 -0.883 . . . . 41.130000000000003 111.458 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.45 94.23 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.565 -0.709 . . . . 50.229999999999997 112.689 169.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.5 t -61.39 -46.3 90.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.224 -1.028 . . . . 54.200000000000003 108.224 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -59.13 -43.18 91.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.064 -1.647 . . . . 73.329999999999998 112.229 -172.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -76.65 -39.85 51.01 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.289 1.218 . . . . 64.319999999999993 114.289 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.77 -38.94 86.97 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 126.7 2.0 . . . . 63.509999999999998 110.345 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.0 mt -83.32 -7.74 59.54 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.059 -0.973 . . . . 72.549999999999997 110.068 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.99 45.44 21.18 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.722 2.409 . . . . 60.240000000000002 113.385 -174.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.65 158.07 46.26 Favored Pre-proline 0 C--N 1.349 0.586 0 C-N-CA 124.115 0.966 . . . . 73.200000000000003 109.399 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -74.71 165.84 30.65 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.328 2.019 . . . . 71.140000000000001 113.35 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 128.231 2.612 . . . . 71.209999999999994 110.092 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.15 70.36 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.441 1.896 . . . . 74.140000000000001 113.734 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.0 m -101.56 -21.99 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 O-C-N 120.28 -1.513 . . . . 75.400000000000006 112.163 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.87 -32.48 73.02 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.159 -1.588 . . . . 74.349999999999994 110.805 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -75.92 -16.16 60.07 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.968 -1.083 . . . . 73.430000000000007 112.574 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.41 -38.17 79.92 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.234 -0.916 . . . . 72.099999999999994 112.619 168.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.83 -40.6 93.39 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.605 1.335 . . . . 73.409999999999997 114.605 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -63.58 -44.41 94.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.078 -1.639 . . . . 73.019999999999996 113.139 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -65.76 -24.12 66.88 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 127.174 2.19 . . . . 72.019999999999996 114.618 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--N 1.346 0.433 0 C-N-CA 126.93 2.092 . . . . 74.150000000000006 111.817 -178.302 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 120.787 0.327 . . . . 62.43 110.707 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -91.77 130.58 37.53 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.864 0.866 . . . . 73.140000000000001 111.541 -167.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.2 -32.33 71.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.053 1.741 . . . . 74.140000000000001 113.763 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.468 ' CD ' HG11 ' A' ' 29' ' ' VAL . 13.5 mt-10 -62.34 -31.98 72.69 Favored 'General case' 0 CA--C 1.491 -1.318 0 N-CA-C 115.723 1.749 . . . . 75.329999999999998 115.723 170.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -41.22 86.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 121.798 0.809 . . . . 64.530000000000001 110.759 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.47 99.14 Favored Glycine 0 CA--C 1.49 -1.499 0 O-C-N 121.075 -1.015 . . . . 54.210000000000001 114.016 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 91.8 m -63.84 -41.49 97.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.537 1.135 . . . . 73.200000000000003 111.3 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.4 p -68.16 -39.33 81.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.986 -1.071 . . . . 73.150000000000006 112.281 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.44 -46.32 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 O-C-N 119.7 -1.875 . . . . 75.0 113.07 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.59 -29.09 68.35 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.447 1.647 . . . . 73.439999999999998 115.447 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.512 ' N ' HD12 ' A' ' 53' ' ' LEU . 41.8 t -65.56 -41.29 93.14 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 127.846 2.458 . . . . 73.310000000000002 113.788 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.7 mm? -60.65 -38.39 84.68 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 118.549 -2.595 . . . . 70.019999999999996 112.996 171.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.494 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.38 -35.49 67.77 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.544 1.538 . . . . 70.430000000000007 114.995 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -81.01 -24.21 38.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.586 -0.696 . . . . 71.310000000000002 112.479 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -103.65 34.57 2.93 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.82 2.048 . . . . 74.329999999999998 113.337 -172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 68' ' ' LEU . 88.5 mt -82.78 -17.36 44.4 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 119.649 -1.907 . . . . 73.409999999999997 110.668 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.4 -29.37 70.44 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 127.35 2.26 . . . . 73.129999999999995 110.854 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -28.32 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 128.367 2.667 . . . . 73.450000000000003 111.183 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 HD13 ' A' ' 68' ' ' LEU . 63.5 mt -73.22 160.86 31.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.906 2.082 . . . . 74.129999999999995 110.429 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.67 142.88 44.45 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 120.48 -1.387 . . . . 64.209999999999994 113.389 -174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.84 -29.23 70.44 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.793 -1.192 . . . . 62.509999999999998 113.961 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.68 -37.13 72.9 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.496 -1.378 . . . . 73.310000000000002 113.565 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -79.23 -10.82 59.91 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.704 -1.248 . . . . 63.340000000000003 112.573 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 62.5 26.56 15.8 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 127.987 2.515 . . . . 73.209999999999994 116.751 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -79.98 120.55 24.32 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 120.038 -1.664 . . . . 72.340000000000003 111.208 177.348 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -134.27 147.76 50.69 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 105.851 -1.907 . . . . 60.240000000000002 105.851 166.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.1 t60 -66.15 129.19 38.96 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.161 0.984 . . . . 74.420000000000002 110.892 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.12 -9.23 78.23 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.915 1.245 . . . . 61.340000000000003 115.617 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -109.18 27.97 8.98 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.973 1.386 . . . . 75.219999999999999 109.956 -169.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.63 83.73 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 114.595 1.332 . . . . 75.209999999999994 114.595 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.624 1.102 . . . . 74.530000000000001 112.901 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -71.25 -44.75 64.7 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.292 0.637 . . . . 74.340000000000003 112.356 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.7 -48.9 79.74 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.44 1.896 . . . . 74.150000000000006 113.0 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.89 96.02 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.931 0.892 . . . . 73.099999999999994 113.221 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.9 mtm -63.55 -37.46 87.39 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.879 1.066 . . . . 75.310000000000002 113.879 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.23 -24.49 67.89 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 120.493 -1.38 . . . . 71.329999999999998 113.249 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.89 13.67 21.91 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.574 1.55 . . . . 73.340000000000003 114.558 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.7 0.69 64.21 Favored Glycine 0 C--N 1.351 1.397 0 O-C-N 121.02 -1.05 . . . . 74.209999999999994 114.255 167.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.9 56.85 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.32 1.06 . . . . 75.209999999999994 111.18 164.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -81.42 170.41 16.0 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.611 -1.931 . . . . 73.439999999999998 108.17 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.62 -34.32 77.99 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.552 -1.342 . . . . 74.340000000000003 112.662 -173.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.46 84.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.423 1.889 . . . . 72.439999999999998 112.521 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -67.97 -39.18 83.39 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.902 1.281 . . . . 63.229999999999997 112.416 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.73 84.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 73.140000000000001 112.719 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.42 -28.99 65.48 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.843 -1.161 . . . . 74.239999999999995 112.005 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.55 -42.47 96.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.039 1.496 . . . . 74.439999999999998 115.039 171.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.472 HD12 ' OE1' ' A' ' 138' ' ' GLU . 53.6 mt -63.22 -41.83 99.18 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.438 1.926 . . . . 73.530000000000001 112.659 175.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.25 -39.59 94.27 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.193 -0.942 . . . . 65.329999999999998 111.648 172.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.687 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.8 t70 -66.54 -41.35 88.87 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.284 1.434 . . . . 73.209999999999994 114.774 176.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.06 -44.91 92.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 124.372 1.069 . . . . 45.439999999999998 109.295 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.38 -50.84 72.21 Favored 'General case' 0 CA--C 1.494 -1.188 0 C-N-CA 123.263 0.625 . . . . 71.239999999999995 110.986 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.687 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.8 p80 -75.15 -27.94 59.93 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 117.741 -1.583 . . . . 71.510000000000005 109.469 -169.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.46 -43.98 88.62 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.672 -1.604 . . . . 74.409999999999997 111.42 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.6 m -66.31 -32.91 74.6 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.046 1.338 . . . . 61.340000000000003 114.317 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.54 -25.05 67.04 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.725 1.21 . . . . 72.329999999999998 112.346 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.04 -40.24 60.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.056 1.742 . . . . 70.340000000000003 109.956 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.7 m -95.7 -29.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 C-N-CA 123.566 0.746 . . . . 34.119999999999997 111.356 -165.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.42 155.21 7.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 122.658 1.218 . . . . 74.230000000000004 113.38 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.2 m -67.55 121.86 16.76 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.83 -1.169 . . . . 63.43 111.386 164.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.9 mt -102.31 131.58 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 C-N-CA 128.955 2.902 . . . . 74.140000000000001 103.476 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.49 128.54 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 105.917 -1.883 . . . . 71.150000000000006 105.917 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.83 88.47 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 114.744 1.387 . . . . 72.439999999999998 114.744 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.02 -37.79 88.78 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.626 1.57 . . . . 71.450000000000003 114.652 176.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -129.46 89.64 46.64 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-O 118.38 -0.819 . . . . 62.520000000000003 108.876 -161.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.02 -13.23 36.15 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 C-N-CA 122.765 2.31 . . . . 73.099999999999994 112.541 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.9 -43.68 78.73 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.298 1.439 . . . . 74.040000000000006 110.329 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -45.81 93.31 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 121.282 -0.886 . . . . 72.439999999999998 112.395 169.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.0 m -57.02 -46.78 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 112.704 0.631 . . . . 41.140000000000001 112.704 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.018 2.229 . . . . 75.420000000000002 117.018 171.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -45.25 84.17 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.282 -1.511 . . . . 72.239999999999995 112.621 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.8 -41.62 99.37 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.625 0.77 . . . . 64.140000000000001 109.761 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.6 -46.06 87.48 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.097 -1.002 . . . . 51.240000000000002 112.279 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.27 99.74 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 124.808 1.243 . . . . 61.5 110.799 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.73 -28.54 62.71 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.941 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.12 -46.61 64.44 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 120.084 1.311 . . . . 72.319999999999993 113.706 166.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.36 -47.89 75.06 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 115.161 1.541 . . . . 74.040000000000006 115.161 174.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 123' ' ' ILE . 34.3 ttpt -62.44 -32.75 73.66 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 122.03 0.919 . . . . 74.049999999999997 110.745 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.52 96.49 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 122.208 1.004 . . . . 74.400000000000006 112.062 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.44 -45.99 74.42 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 124.981 1.313 . . . . 70.099999999999994 114.436 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -65.2 -24.27 34.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 119.282 -2.136 . . . . 75.219999999999999 114.37 174.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -65.21 -35.64 81.7 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.22 -0.925 . . . . 64.049999999999997 111.484 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -76.24 -24.99 54.59 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.908 -1.12 . . . . 75.409999999999997 112.43 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -68.17 153.51 43.59 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 127.434 2.293 . . . . 70.439999999999998 114.784 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.59 0.39 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.442 1.097 . . . . 73.239999999999995 111.776 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -129.46 155.45 45.7 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.337 -1.357 . . . . 75.099999999999994 107.337 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.96 119.55 40.65 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.433 -0.794 . . . . 72.519999999999996 111.068 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -69.85 151.89 68.71 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.427 2.085 . . . . 63.240000000000002 108.994 156.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.8 p -86.34 168.5 13.8 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 106.646 -1.612 . . . . 70.420000000000002 106.646 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.7 -28.93 70.29 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.26 -1.525 . . . . 74.030000000000001 113.002 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.85 -40.85 94.42 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.721 -1.237 . . . . 74.409999999999997 112.164 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.47 -44.48 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 126.227 1.811 . . . . 71.329999999999998 113.082 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.77 -47.26 81.67 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.535 1.061 . . . . 71.040000000000006 112.418 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 m -77.11 -33.2 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 121.484 -0.76 . . . . 73.140000000000001 109.318 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.26 99.84 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 119.464 -0.631 . . . . 65.129999999999995 114.096 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.472 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.0 mt-10 -63.85 -38.12 89.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.989 1.395 . . . . 70.420000000000002 113.661 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.6 mt -63.74 -51.32 65.44 Favored 'General case' 0 CA--C 1.477 -1.848 0 C-N-CA 124.682 1.193 . . . . 71.5 112.856 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 56' ' ' ALA . 27.0 mt -68.46 -40.72 80.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.154 -1.385 . . . . 63.140000000000001 111.117 -177.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.87 85.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.188 -1.57 . . . . 50.450000000000003 114.273 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.57 23.4 5.34 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.869 -1.144 . . . . 62.329999999999998 112.34 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.551 HG22 ' CE1' ' A' ' 70' ' ' HIS . 11.9 t . . . . . 0 C--O 1.265 1.881 0 O-C-N 119.383 -2.073 . . . . 51.119999999999997 113.849 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 N--CA 1.455 -0.786 0 N-CA-C 114.561 0.947 . . . . 71.420000000000002 114.561 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.89 -43.93 70.79 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.983 1.265 . . . . 54.43 112.376 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.99 -30.59 63.91 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.925 -1.109 . . . . 71.239999999999995 111.851 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.22 99.73 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.591 0.756 . . . . 53.399999999999999 112.114 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.2 t -60.58 -47.0 88.15 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.56 -0.904 . . . . 72.420000000000002 108.56 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -59.57 -42.89 93.51 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.004 -1.685 . . . . 73.310000000000002 112.988 -172.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.83 -39.58 56.45 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 114.33 1.233 . . . . 75.420000000000002 114.33 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.46 -39.02 86.07 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 125.557 1.543 . . . . 74.129999999999995 110.86 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.9 mt -83.36 -12.52 56.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.342 -0.845 . . . . 72.230000000000004 110.116 -177.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.61 48.01 12.37 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.87 2.068 . . . . 53.5 113.133 -174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.2 157.9 47.78 Favored Pre-proline 0 C--N 1.347 0.495 0 C-N-CA 124.708 1.203 . . . . 62.210000000000001 108.358 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.97 167.19 27.82 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.71 2.273 . . . . 73.510000000000005 113.576 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.31 -33.23 73.26 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 128.239 2.616 . . . . 53.0 109.246 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.26 62.85 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 127.754 2.421 . . . . 51.32 113.882 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.7 m -100.96 -24.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 O-C-N 120.548 -1.345 . . . . 64.120000000000005 112.182 -173.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.0 ptm -65.93 -33.84 76.74 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.159 -1.588 . . . . 75.099999999999994 111.573 166.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.22 -20.28 61.58 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.349 0.87 . . . . 73.25 113.349 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -62.3 -38.4 89.26 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 113.401 0.889 . . . . 71.120000000000005 113.401 171.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD2' HG12 ' A' ' 52' ' ' ILE . 21.0 t80 -61.47 -44.31 97.33 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.112 1.153 . . . . 73.099999999999994 114.112 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.1 p90 -70.89 -35.02 72.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 119.746 -1.847 . . . . 75.519999999999996 115.57 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.65 -18.01 64.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.246 1.818 . . . . 64.049999999999997 114.053 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--N 1.348 0.527 0 C-N-CA 127.349 2.26 . . . . 73.439999999999998 111.259 176.777 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.516 -0.355 0 CA-C-O 121.135 0.493 . . . . 54.200000000000003 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.83 132.96 33.99 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 124.489 1.115 . . . . 45.539999999999999 111.873 -165.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -59.62 -33.33 71.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 126.463 1.905 . . . . 73.209999999999994 113.495 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.516 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.0 mt-10 -63.34 -31.63 72.83 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 116.384 1.994 . . . . 64.420000000000002 116.384 169.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.26 84.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 121.863 0.839 . . . . 43.119999999999997 110.738 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.41 -41.02 99.48 Favored Glycine 0 CA--C 1.492 -1.403 0 O-C-N 121.044 -1.035 . . . . 75.109999999999999 113.944 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.26 -41.5 96.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.893 1.277 . . . . 72.420000000000002 111.244 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 5.5 p -69.01 -39.14 79.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 121.138 -0.976 . . . . 72.530000000000001 112.17 172.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.1 mt -60.11 -46.25 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 O-C-N 119.353 -2.092 . . . . 65.230000000000004 113.327 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -67.33 -29.13 68.61 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.098 1.518 . . . . 74.409999999999997 115.098 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.1 t -66.07 -41.62 90.49 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 127.93 2.492 . . . . 53.310000000000002 114.619 171.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.45 -38.86 85.51 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 118.625 -2.547 . . . . 73.439999999999998 112.759 172.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.514 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.91 -37.25 68.65 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 125.847 1.659 . . . . 63.149999999999999 114.484 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -81.46 -17.64 48.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.541 -0.724 . . . . 74.219999999999999 112.353 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -109.19 31.29 5.84 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.977 1.711 . . . . 72.329999999999998 112.918 -172.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 68' ' ' LEU . 92.2 mt -81.23 -24.2 37.54 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.338 -2.101 . . . . 73.109999999999999 110.485 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.39 -15.28 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.339 1.456 . . . . 73.219999999999999 112.975 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -26.62 62.57 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 126.758 2.023 . . . . 62.229999999999997 112.003 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.44 HD12 HD13 ' A' ' 68' ' ' LEU . 57.1 mt -74.44 161.33 29.92 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.682 1.993 . . . . 72.420000000000002 110.902 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.92 147.13 31.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.551 -1.343 . . . . 72.150000000000006 110.271 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.49 -29.91 70.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 114.754 1.39 . . . . 74.030000000000001 114.754 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -58.63 -34.65 71.41 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.127 -1.608 . . . . 73.109999999999999 113.68 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -79.39 -13.71 59.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.811 -1.181 . . . . 70.010000000000005 112.984 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 63.36 24.25 14.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 128.548 2.739 . . . . 74.430000000000007 116.514 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.44 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -83.67 122.45 28.63 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.004 -1.685 . . . . 55.030000000000001 110.733 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -140.35 151.04 44.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.116 -1.438 . . . . 74.329999999999998 107.116 166.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.81 129.39 39.75 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.184 0.992 . . . . 74.25 113.271 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.88 -9.81 74.88 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.264 1.411 . . . . 42.350000000000001 115.372 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -106.85 24.77 12.21 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.242 1.521 . . . . 75.349999999999994 111.752 -167.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.81 83.82 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 114.872 1.434 . . . . 71.099999999999994 114.872 -172.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.9 mtp -61.72 -41.22 97.33 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.523 1.056 . . . . 71.129999999999995 112.514 -175.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.52 -44.78 66.88 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 113.318 0.858 . . . . 72.239999999999995 113.318 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.6 -47.66 85.21 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 127.13 2.172 . . . . 61.539999999999999 112.835 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.68 93.16 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 113.621 0.971 . . . . 72.530000000000001 113.621 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.7 -35.83 81.85 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 114.04 1.126 . . . . 50.009999999999998 114.04 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.04 -28.25 68.92 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.767 -1.208 . . . . 72.209999999999994 112.788 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -94.97 14.64 21.07 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.784 1.634 . . . . 70.030000000000001 114.689 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.74 63.13 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 121.113 -0.992 . . . . 74.120000000000005 114.026 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.51 141.44 57.88 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.35 1.075 . . . . 72.319999999999993 111.567 164.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -81.4 170.37 16.06 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.503 -1.998 . . . . 73.540000000000006 108.344 168.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.76 -34.58 78.66 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.576 -1.327 . . . . 72.530000000000001 112.624 -172.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.39 84.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.337 1.855 . . . . 74.140000000000001 112.297 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.3 mtt -68.24 -39.23 82.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.972 1.309 . . . . 71.230000000000004 112.407 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.51 85.92 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.934 0.894 . . . . 73.420000000000002 112.847 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.17 -28.57 65.43 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.633 -1.292 . . . . 71.319999999999993 112.07 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -60.55 -42.42 96.53 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 115.016 1.487 . . . . 65.450000000000003 115.016 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.16 -41.82 99.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 121.433 1.924 . . . . 64.109999999999999 112.328 175.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.09 -39.76 94.75 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.979 -1.076 . . . . 73.209999999999994 111.814 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.0 t70 -66.39 -41.23 89.68 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.453 1.501 . . . . 63.020000000000003 114.898 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.0 -44.9 92.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.298 1.039 . . . . 75.010000000000005 109.266 172.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.51 -50.62 73.1 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 123.372 0.669 . . . . 71.299999999999997 111.099 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 13.1 p80 -74.87 -27.99 60.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 117.69 -1.604 . . . . 63.32 109.664 -170.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -43.84 88.97 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.741 -1.572 . . . . 64.200000000000003 111.285 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.5 m -66.15 -32.64 74.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.98 1.312 . . . . 71.409999999999997 114.483 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.52 -24.6 66.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.847 1.259 . . . . 65.409999999999997 112.397 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -75.27 -40.06 59.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.227 1.811 . . . . 73.5 109.946 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 25.4 m -96.52 -29.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 123.557 0.743 . . . . 73.430000000000007 111.309 -165.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.11 154.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-O 122.648 1.213 . . . . 73.420000000000002 113.402 173.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.1 m -67.1 122.79 18.56 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.814 -1.179 . . . . 73.540000000000006 111.502 164.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.4 mt -103.19 131.92 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 C-N-CA 128.978 2.911 . . . . 74.409999999999997 103.456 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -113.19 127.77 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.712 0 N-CA-C 106.291 -1.744 . . . . 75.099999999999994 106.291 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.82 93.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.485 1.291 . . . . 52.119999999999997 114.485 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.14 -40.18 95.6 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.885 1.674 . . . . 60.109999999999999 113.534 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -130.7 95.67 25.59 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-O 117.903 -1.046 . . . . 71.209999999999994 109.976 -159.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.21 -13.51 38.1 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-N 123.331 2.225 . . . . 75.219999999999999 112.776 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.61 -44.63 77.58 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.782 1.233 . . . . 71.25 110.837 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.57 93.0 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.358 1.063 . . . . 71.310000000000002 111.701 171.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -57.1 -46.8 82.29 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.503 0.592 . . . . 64.430000000000007 112.595 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -46.83 76.58 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.958 2.207 . . . . 75.439999999999998 116.958 171.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.15 86.0 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.405 -1.434 . . . . 74.120000000000005 112.467 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.21 -41.51 99.15 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.644 0.778 . . . . 71.140000000000001 109.836 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.53 -45.96 88.17 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 121.255 -0.903 . . . . 71.109999999999999 112.357 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.1 99.71 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.842 1.257 . . . . 63.100000000000001 110.776 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -72.25 -29.03 63.53 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.178 -0.465 . . . . 74.349999999999994 110.891 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.29 -46.57 64.04 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 120.568 -1.332 . . . . 71.25 113.776 167.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.6 t80 -55.22 -48.26 74.16 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.245 1.572 . . . . 71.319999999999993 115.245 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HA ' HG12 ' A' ' 123' ' ' ILE . 64.8 tttm -62.5 -32.2 73.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.02 0.914 . . . . 62.030000000000001 111.151 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 122.328 1.061 . . . . 73.030000000000001 111.943 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -68.69 -46.16 69.74 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.582 1.553 . . . . 71.329999999999998 114.051 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.0 pt -64.68 -24.26 35.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 119.107 -2.246 . . . . 60.439999999999998 114.276 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.92 -32.63 74.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.293 1.037 . . . . 55.219999999999999 111.648 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -75.56 -26.94 58.38 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.946 -1.096 . . . . 74.319999999999993 112.601 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.6 mt -69.7 153.21 43.71 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.115 2.166 . . . . 73.5 115.406 -169.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.26 -0.48 54.83 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.93 1.292 . . . . 74.409999999999997 111.718 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -129.32 155.01 46.31 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.901 -1.518 . . . . 74.299999999999997 106.901 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.71 118.02 41.59 Favored Pre-proline 0 N--CA 1.443 -0.818 0 CA-C-O 118.536 -0.745 . . . . 54.200000000000003 111.307 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.4 147.72 65.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.267 1.978 . . . . 63.329999999999998 108.977 155.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.0 t -79.84 166.44 21.69 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 108.836 -0.802 . . . . 62.509999999999998 108.836 164.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.58 -33.56 74.1 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 120.807 -1.183 . . . . 63.509999999999998 111.456 -175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.39 -43.11 92.98 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.498 0.719 . . . . 65.340000000000003 112.261 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 p -82.53 -44.69 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 126.999 2.12 . . . . 73.239999999999995 114.914 173.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.33 82.77 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.299 -0.876 . . . . 54.009999999999998 113.264 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.28 -29.22 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 N-CA-C 108.097 -1.075 . . . . 74.439999999999998 108.097 174.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.19 99.56 Favored Glycine 0 C--N 1.353 1.519 0 CA-C-O 119.033 -0.87 . . . . 64.140000000000001 113.979 -174.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.455 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.42 -36.9 85.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.426 1.613 . . . . 75.140000000000001 113.395 173.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 119' ' ' PHE . 57.9 mt -62.63 -51.67 66.38 Favored 'General case' 0 CA--C 1.482 -1.661 0 N-CA-C 113.206 0.817 . . . . 75.120000000000005 113.206 171.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 56' ' ' ALA . 33.7 mt -69.43 -39.91 77.56 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.933 -1.03 . . . . 74.109999999999999 111.902 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.44 92.66 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 119.839 -1.788 . . . . 44.439999999999998 113.657 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -96.71 34.62 1.64 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.343 -0.848 . . . . 74.040000000000006 111.51 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.262 1.72 0 O-C-N 119.89 -1.756 . . . . 73.420000000000002 114.375 177.076 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 N--CA 1.456 -0.722 0 CA-C-O 119.045 -0.481 . . . . 74.310000000000002 112.913 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.0 ttp -77.71 -40.02 42.66 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 119.407 1.003 . . . . 73.040000000000006 112.016 -169.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.56 -32.82 73.01 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.217 -0.927 . . . . 75.409999999999997 111.768 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.07 94.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.485 1.114 . . . . 44.530000000000001 111.851 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.35 -0.61 8.49 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 115.186 1.55 . . . . 74.5 115.186 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -91.28 -48.19 7.06 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 119.627 -1.921 . . . . 74.319999999999993 110.237 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.45 -36.82 44.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 119.872 -1.768 . . . . 70.420000000000002 114.549 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.6 -37.8 79.55 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 127.731 2.412 . . . . 72.040000000000006 110.44 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.38 -10.13 52.92 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.164 -1.38 . . . . 61.020000000000003 109.288 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.52 46.68 14.56 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.919 2.088 . . . . 73.450000000000003 113.121 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.68 157.89 46.78 Favored Pre-proline 0 C--N 1.348 0.504 0 C-N-CA 124.369 1.068 . . . . 74.200000000000003 109.36 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.2 Cg_endo -74.41 166.34 29.69 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.552 2.168 . . . . 75.129999999999995 113.504 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.06 -28.99 70.46 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.328 2.651 . . . . 74.540000000000006 109.805 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.35 68.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 127.35 2.26 . . . . 72.230000000000004 113.487 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 47' ' ' GLU . 10.2 m -99.79 -22.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 120.223 -1.548 . . . . 74.420000000000002 112.058 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.1 ptm -66.95 -32.24 73.36 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.115 -1.616 . . . . 74.099999999999994 112.138 166.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -76.51 -15.24 59.93 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.734 -1.228 . . . . 71.040000000000006 113.229 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.66 -37.75 79.57 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.063 -1.023 . . . . 71.140000000000001 112.809 167.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -60.26 -39.91 88.46 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.175 1.39 . . . . 74.030000000000001 114.509 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.86 -44.5 95.96 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 120.143 -1.598 . . . . 75.319999999999993 113.617 171.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -65.84 -25.39 67.18 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 127.015 2.126 . . . . 74.209999999999994 114.159 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.3 t80 . . . . . 0 C--N 1.347 0.485 0 C-N-CA 127.096 2.158 . . . . 73.010000000000005 112.236 -179.467 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 120.855 0.359 . . . . 71.349999999999994 111.966 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -85.01 130.38 34.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.295 -0.878 . . . . 73.439999999999998 111.589 -167.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -59.27 -32.77 70.31 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.957 2.103 . . . . 74.420000000000002 113.262 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.3 mt-10 -63.49 -30.87 71.93 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 116.278 1.955 . . . . 74.439999999999998 116.278 170.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.37 88.88 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 118.886 0.767 . . . . 34.439999999999998 111.47 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.34 95.05 Favored Glycine 0 CA--C 1.486 -1.742 0 O-C-N 120.164 -1.585 . . . . 71.25 112.917 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.3 -40.41 97.29 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.16 0.984 . . . . 64.340000000000003 111.114 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.27 -42.89 84.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 121.233 -0.917 . . . . 75.239999999999995 112.021 170.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.45 -45.62 96.53 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 O-C-N 120.891 -1.13 . . . . 72.430000000000007 111.859 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.14 -28.25 67.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 114.774 1.398 . . . . 62.240000000000002 114.774 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 47.2 t -62.54 -42.34 99.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.555 1.542 . . . . 74.299999999999997 111.943 175.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -38.35 84.92 Favored 'General case' 0 C--N 1.367 1.353 0 CA-C-N 120.884 1.675 . . . . 73.5 113.538 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.38 -36.94 71.88 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 126.338 1.855 . . . . 74.109999999999999 115.182 -173.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.23 -40.38 77.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.268 0.84 . . . . 73.409999999999997 113.268 168.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -98.21 38.8 1.28 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.82 1.648 . . . . 43.130000000000003 112.508 -167.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 68' ' ' LEU . 96.8 mt -79.52 -29.35 41.45 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-O 123.422 1.582 . . . . 74.25 111.289 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.85 -16.88 64.23 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.24 1.416 . . . . 73.239999999999995 111.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.19 -25.71 52.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.89 2.076 . . . . 71.120000000000005 110.831 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.6 mt -67.16 162.58 22.13 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 128.212 2.605 . . . . 72.120000000000005 110.965 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -66.77 120.96 14.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.868 -1.145 . . . . 64.219999999999999 111.207 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.83 -25.28 66.51 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.168 1.387 . . . . 53.109999999999999 113.801 -169.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.51 -33.92 64.18 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.62 1.968 . . . . 73.099999999999994 113.245 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptm -80.21 -10.05 59.74 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.899 1.227 . . . . 74.010000000000005 111.851 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 64.29 26.96 13.78 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.214 3.006 . . . . 75.230000000000004 115.773 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.21 122.41 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.823 -1.798 . . . . 73.209999999999994 112.596 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -140.84 153.46 45.77 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.201 -1.407 . . . . 61.420000000000002 107.201 164.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.44 129.15 39.37 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.275 1.036 . . . . 72.230000000000004 112.724 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.85 -10.58 74.21 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 124.317 0.96 . . . . 73.400000000000006 114.333 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.08 23.8 11.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.709 1.203 . . . . 63.109999999999999 110.567 -174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.73 79.99 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.564 1.32 . . . . 61.210000000000001 114.564 -173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.48 -40.44 94.55 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 119.718 1.144 . . . . 60.140000000000001 112.497 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -71.06 -44.75 65.12 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.462 0.912 . . . . 72.209999999999994 113.462 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.96 -47.68 84.79 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.767 2.027 . . . . 74.239999999999995 113.324 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.54 93.89 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 120.993 -1.067 . . . . 73.400000000000006 113.138 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.2 mtp -63.41 -36.23 83.04 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.717 1.207 . . . . 74.329999999999998 113.434 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.52 -27.61 68.72 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.778 -1.201 . . . . 65.450000000000003 112.252 172.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -94.19 13.15 24.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.903 1.681 . . . . 63.109999999999999 114.355 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.68 63.94 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 121.09 -1.006 . . . . 74.430000000000007 114.414 167.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.56 58.04 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 118.51 1.155 . . . . 75.0 111.535 164.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -81.07 169.1 17.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.565 -1.959 . . . . 73.329999999999998 108.039 168.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.94 -34.63 78.88 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.643 -1.286 . . . . 71.400000000000006 112.625 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.32 86.93 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.369 1.868 . . . . 53.030000000000001 112.432 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.1 mtt -68.12 -39.42 82.76 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.921 1.289 . . . . 64.450000000000003 112.561 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.45 86.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.796 0.838 . . . . 62.100000000000001 113.078 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -69.08 -29.51 67.64 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.695 -1.253 . . . . 75.230000000000004 112.034 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.49 -42.26 95.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.782 1.401 . . . . 73.400000000000006 114.782 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.453 HD12 ' OE1' ' A' ' 138' ' ' GLU . 39.4 mt -63.18 -41.66 99.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 121.384 1.902 . . . . 74.230000000000004 112.927 176.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.45 -39.55 94.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.852 0.861 . . . . 44.310000000000002 111.467 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.7 t70 -66.88 -41.14 87.73 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 114.815 1.413 . . . . 75.019999999999996 114.815 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.95 -44.84 91.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 124.434 1.093 . . . . 61.149999999999999 109.385 171.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.1 -50.86 72.02 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 123.368 0.667 . . . . 70.209999999999994 111.169 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.5 p80 -75.7 -27.68 58.32 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.788 -1.565 . . . . 73.030000000000001 109.226 -169.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -43.98 89.59 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.835 -1.53 . . . . 74.340000000000003 111.24 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.483 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.9 m -66.59 -32.34 73.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.64 1.348 . . . . 72.430000000000007 114.64 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.55 -26.07 67.71 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.809 1.244 . . . . 71.420000000000002 112.209 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -75.69 -42.11 51.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.801 1.64 . . . . 74.340000000000003 109.675 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 97' ' ' CYS . 22.1 m -87.66 -33.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 C-N-CA 123.438 0.695 . . . . 73.5 111.998 -169.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.89 155.48 7.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 122.67 1.224 . . . . 75.140000000000001 113.912 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.4 m -66.95 122.31 17.44 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.846 -1.159 . . . . 72.430000000000007 111.525 164.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.19 132.27 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 C-N-CA 128.771 2.828 . . . . 71.109999999999999 103.836 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 t -113.52 128.39 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 106.148 -1.797 . . . . 63.439999999999998 106.148 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.32 89.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.132 1.16 . . . . 75.200000000000003 114.132 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.57 -37.9 89.16 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.751 1.62 . . . . 63.210000000000001 114.466 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 96.6 23.26 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.757 -1.116 . . . . 64.140000000000001 109.306 -162.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.42 -13.57 37.87 Favored 'Trans proline' 0 C--N 1.326 -0.646 0 CA-C-N 123.797 2.392 . . . . 65.150000000000006 112.913 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.33 -44.86 74.43 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.821 1.249 . . . . 40.030000000000001 110.995 -176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.54 93.14 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.391 1.077 . . . . 54.399999999999999 111.687 172.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 m -56.88 -46.2 82.02 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.067 0.394 . . . . 62.409999999999997 111.494 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.9 tpp -65.22 -49.52 69.37 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.691 -1.256 . . . . 71.530000000000001 114.039 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -45.51 78.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.853 1.261 . . . . 71.530000000000001 112.484 -176.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.73 -41.58 99.24 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.727 0.811 . . . . 71.319999999999993 109.62 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.33 -46.04 88.45 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 121.267 -0.896 . . . . 72.010000000000005 112.451 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.41 99.56 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.047 1.339 . . . . 63.450000000000003 110.49 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.4 ptm -73.88 -28.9 61.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.189 -0.459 . . . . 53.530000000000001 110.772 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.22 -46.49 67.25 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.674 -1.266 . . . . 63.43 113.511 166.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.0 t80 -54.8 -47.93 73.39 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 115.225 1.565 . . . . 70.420000000000002 115.225 173.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.82 -30.84 71.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 123.572 0.749 . . . . 74.450000000000003 112.045 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.453 1.12 . . . . 65.439999999999998 111.93 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.73 -46.79 71.18 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.456 1.502 . . . . 65.450000000000003 114.666 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.26 -20.64 26.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 118.645 -2.535 . . . . 72.420000000000002 115.524 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -63.05 -38.82 92.72 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.155 -0.966 . . . . 72.340000000000003 111.394 168.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -76.74 -26.05 54.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.431 -0.793 . . . . 75.200000000000003 113.134 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.4 mt -67.1 153.25 44.13 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.983 2.113 . . . . 72.420000000000002 114.883 -176.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.02 -0.3 53.95 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.478 1.111 . . . . 55.240000000000002 111.792 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -128.95 154.43 46.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.971 -1.492 . . . . 60.210000000000001 106.971 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.52 119.57 39.58 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.392 -0.813 . . . . 73.400000000000006 110.823 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 135' ' ' ALA . 72.2 Cg_endo -69.67 151.03 69.49 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.451 2.101 . . . . 75.219999999999999 109.26 158.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -87.35 169.13 12.53 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 106.902 -1.518 . . . . 71.129999999999995 106.902 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.0 -26.96 69.1 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.262 -1.524 . . . . 63.539999999999999 113.168 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.4 -40.48 94.54 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.56 -1.338 . . . . 43.43 112.212 174.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.38 -43.96 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 126.231 1.812 . . . . 63.450000000000003 113.15 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.68 -47.63 80.44 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 119.466 1.03 . . . . 74.239999999999995 112.571 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -33.72 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 109.037 -0.727 . . . . 51.439999999999998 109.037 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.89 99.68 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 121.765 -0.584 . . . . 51.450000000000003 113.838 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.6 mt-10 -64.43 -37.79 88.76 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.742 1.271 . . . . 53.409999999999997 113.74 174.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.1 mt -63.5 -51.57 64.99 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 124.549 1.14 . . . . 74.409999999999997 112.657 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.1 mt -68.35 -42.29 79.46 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.01 -1.45 . . . . 71.310000000000002 111.263 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.3 77.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 120.52 -1.363 . . . . 75.129999999999995 114.243 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -91.32 21.16 4.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.743 -1.223 . . . . 63.299999999999997 112.193 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.266 1.949 0 O-C-N 119.389 -2.069 . . . . 63.149999999999999 113.914 178.241 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 CA-C-O 117.298 -1.209 . . . . 72.540000000000006 114.428 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mtp -66.28 -42.81 87.88 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 121.939 2.154 . . . . 73.329999999999998 114.775 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.74 -32.47 71.02 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.78 -1.2 . . . . 74.519999999999996 111.509 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.87 91.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 123.913 0.885 . . . . 55.329999999999998 112.39 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -74.12 -0.93 18.14 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.897 1.279 . . . . 74.519999999999996 113.779 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -48.47 7.97 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 119.582 -1.949 . . . . 65.120000000000005 110.32 164.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.68 -37.49 35.72 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.94 -1.725 . . . . 52.109999999999999 114.471 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.63 -38.03 80.25 Favored 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 128.172 2.589 . . . . 52.149999999999999 110.211 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.1 -6.96 56.67 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.213 -1.358 . . . . 73.140000000000001 109.435 -174.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.63 46.23 20.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.071 2.548 . . . . 62.210000000000001 113.898 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.53 160.27 36.92 Favored Pre-proline 0 C--N 1.35 0.621 0 C-N-CA 124.349 1.06 . . . . 74.540000000000006 110.284 -173.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HG2' HG13 ' A' ' 29' ' ' VAL . 70.1 Cg_endo -72.35 165.21 33.33 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.684 2.256 . . . . 74.340000000000003 113.918 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.41 -30.58 71.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.684 2.794 . . . . 60.130000000000003 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.2 70.09 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 127.549 2.34 . . . . 72.340000000000003 113.03 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.59 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.4 m -85.39 -34.9 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.685 -1.259 . . . . 63.450000000000003 112.802 -177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptm -66.09 -31.93 73.1 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.709 -1.87 . . . . 73.519999999999996 112.124 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -72.03 -20.32 61.71 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 121.909 0.862 . . . . 74.019999999999996 113.154 178.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.78 -38.81 92.07 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.439 -0.788 . . . . 74.329999999999998 113.043 172.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -61.34 -43.79 98.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.493 1.294 . . . . 72.409999999999997 114.493 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.1 p90 -71.61 -36.12 70.7 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 115.435 1.643 . . . . 73.129999999999995 115.435 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.43 -24.18 67.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.427 1.491 . . . . 70.209999999999994 113.791 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.348 0.526 0 C-N-CA 127.703 2.401 . . . . 74.239999999999995 111.637 178.547 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 CA--C 1.513 -0.447 0 CA-C-O 120.95 0.405 . . . . 45.299999999999997 110.777 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -83.75 127.75 34.03 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 124.351 1.06 . . . . 72.420000000000002 109.653 -169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -58.6 -34.0 70.63 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 126.32 1.848 . . . . 71.409999999999997 113.761 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.6 -22.33 64.45 Favored 'General case' 0 CA--C 1.475 -1.922 0 N-CA-C 117.341 2.349 . . . . 75.310000000000002 117.341 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.5 66.26 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.386 0.994 . . . . 73.140000000000001 109.385 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.28 97.82 Favored Glycine 0 CA--C 1.491 -1.409 0 CA-C-O 117.903 -1.498 . . . . 53.32 113.822 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.3 m -67.12 -37.83 84.54 Favored 'General case' 0 C--N 1.369 1.434 0 CA-C-N 120.198 1.999 . . . . 74.219999999999999 111.404 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.33 -41.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.145 -0.972 . . . . 64.430000000000007 112.156 171.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.1 mt -60.06 -45.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 120.325 -1.484 . . . . 75.109999999999999 112.902 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.2 pp -67.38 -28.18 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.104 1.52 . . . . 75.109999999999999 115.104 176.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.446 ' N ' HD12 ' A' ' 53' ' ' LEU . 48.0 t -64.93 -41.24 95.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.939 1.696 . . . . 52.240000000000002 113.09 171.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.85 -39.9 86.76 Favored 'General case' 0 C--N 1.366 1.326 0 CA-C-N 122.524 2.42 . . . . 73.430000000000007 112.732 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.89 -36.27 69.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 125.475 1.51 . . . . 71.310000000000002 114.545 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -81.96 -12.82 58.17 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.537 0.94 . . . . 72.109999999999999 113.537 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.15 46.34 1.91 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.002 1.721 . . . . 63.5 112.911 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.0 mt -88.3 -17.65 30.22 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 125.624 1.57 . . . . 72.430000000000007 111.289 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -60.24 -37.86 81.69 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 128.938 2.895 . . . . 75.519999999999996 110.405 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.93 -28.91 70.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.97 2.908 . . . . 54.229999999999997 111.221 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.34 161.59 30.14 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.716 2.006 . . . . 71.209999999999994 109.387 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.88 135.41 41.52 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.963 -1.711 . . . . 74.209999999999994 108.686 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.19 -26.0 66.01 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.269 1.028 . . . . 71.420000000000002 113.632 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.49 -33.25 69.58 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.303 1.441 . . . . 73.439999999999998 113.702 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -79.51 -10.54 59.82 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 119.988 1.267 . . . . 63.210000000000001 111.902 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m120 64.01 28.21 14.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 129.357 3.063 . . . . 62.100000000000001 115.346 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 120.75 24.59 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.8 . . . . 65.129999999999995 111.383 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -136.7 153.11 50.97 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.74 -1.948 . . . . 72.129999999999995 105.74 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.73 131.05 47.62 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.4 1.095 . . . . 75.040000000000006 112.594 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.71 -12.36 67.42 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 124.642 1.115 . . . . 44.32 113.964 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.75 20.56 12.81 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.585 1.554 . . . . 62.25 110.748 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.79 78.94 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 125.286 1.434 . . . . 51.350000000000001 114.157 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.8 mtt -61.02 -41.08 95.86 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.444 1.02 . . . . 63.0 112.276 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.71 -44.6 63.88 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 113.449 0.907 . . . . 64.319999999999993 113.449 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.36 -47.44 86.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.192 2.197 . . . . 70.219999999999999 113.155 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.86 93.22 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 121.038 -1.039 . . . . 74.120000000000005 112.892 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 68.7 mtm -63.15 -36.09 82.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 113.967 1.099 . . . . 64.329999999999998 113.967 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.01 -28.14 68.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 120.836 -1.165 . . . . 71.230000000000004 112.291 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.25 13.39 25.69 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.85 1.66 . . . . 72.209999999999994 114.525 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.77 0.85 63.94 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 121.069 -1.019 . . . . 44.149999999999999 114.264 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.86 142.14 57.42 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.403 1.101 . . . . 73.129999999999995 111.313 163.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.01 170.17 16.58 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.456 -2.027 . . . . 62.25 108.308 169.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.51 -34.95 79.41 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.606 -1.309 . . . . 73.310000000000002 112.652 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.47 81.44 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.329 1.852 . . . . 70.409999999999997 112.316 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -70.32 -36.52 74.32 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.273 1.029 . . . . 54.329999999999998 112.103 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.45 85.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.997 0.919 . . . . 74.340000000000003 113.095 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.5 -27.3 64.09 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.43 -1.419 . . . . 72.030000000000001 112.365 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.37 -42.01 94.95 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 114.61 1.337 . . . . 70.319999999999993 114.61 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 138' ' ' GLU . 48.5 mt -63.36 -41.59 98.84 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 121.3 1.864 . . . . 74.310000000000002 112.693 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.4 -40.35 95.62 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.322 -0.861 . . . . 74.340000000000003 111.736 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.664 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 34.5 t70 -65.88 -41.49 91.49 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.574 1.55 . . . . 64.319999999999993 115.024 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.67 -44.81 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 124.43 1.092 . . . . 55.229999999999997 109.277 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 3.9 tttt -58.17 -54.22 49.39 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 123.134 0.573 . . . . 54.240000000000002 110.295 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.664 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 8.3 p80 -69.79 -31.69 69.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 120.927 -1.108 . . . . 73.040000000000006 109.589 -171.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -65.01 -43.62 91.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 114.207 -1.361 . . . . 75.140000000000001 111.167 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.9 m -66.11 -32.49 73.98 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.349 1.611 . . . . 65.310000000000002 115.349 173.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 35.6 mt-10 -60.7 -29.02 69.07 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.068 1.347 . . . . 70.140000000000001 111.013 -176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.93 -41.29 68.0 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.842 2.457 . . . . 73.209999999999994 110.357 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.5 m -94.97 -28.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.237 0.615 . . . . 53.149999999999999 111.187 -164.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.9 156.24 6.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-O 122.656 1.217 . . . . 42.140000000000001 113.894 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.0 m -67.51 123.28 19.99 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.934 -1.104 . . . . 73.439999999999998 111.675 163.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.3 131.75 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 128.85 2.86 . . . . 73.340000000000003 103.564 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.39 128.65 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 105.855 -1.906 . . . . 73.439999999999998 105.855 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.72 89.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 114.754 1.39 . . . . 63.210000000000001 114.754 170.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -65.0 -37.94 89.32 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.661 1.584 . . . . 64.150000000000006 114.735 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -128.9 92.99 38.27 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-O 118.272 -0.87 . . . . 74.510000000000005 108.844 -161.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.34 -13.96 36.6 Favored 'Trans proline' 0 C--N 1.331 -0.342 0 C-N-CA 122.71 2.273 . . . . 71.310000000000002 112.317 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 72.3 m -70.52 -43.37 69.77 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.225 1.41 . . . . 55.43 110.724 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.79 92.41 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.084 -1.01 . . . . 64.010000000000005 112.08 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.0 m -56.81 -45.63 82.15 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.534 0.607 . . . . 72.340000000000003 111.648 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.29 -50.41 65.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.308 1.225 . . . . 62.520000000000003 114.308 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.963 1.305 . . . . 63.329999999999998 112.729 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.34 -41.72 98.81 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.585 0.754 . . . . 75.109999999999999 109.689 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.39 -46.05 88.22 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 121.116 -0.99 . . . . 75.409999999999997 112.337 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.66 99.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 125.04 1.336 . . . . 64.510000000000005 110.761 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -72.38 -28.88 63.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 119.099 -0.476 . . . . 73.25 111.133 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.48 -46.22 64.18 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-N 120.124 1.329 . . . . 50.530000000000001 113.409 167.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.4 t80 -54.61 -48.0 72.73 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.719 1.378 . . . . 73.019999999999996 114.719 173.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.88 -32.3 73.53 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 124.006 0.922 . . . . 62.43 111.303 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.29 99.16 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 122.536 1.16 . . . . 61.210000000000001 112.008 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -68.38 -45.79 71.77 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.874 1.27 . . . . 74.219999999999999 114.358 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.03 -20.08 26.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 O-C-N 118.732 -2.48 . . . . 60.149999999999999 115.644 172.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.31 -40.25 95.7 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.278 1.031 . . . . 72.450000000000003 111.657 167.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 113.453 0.908 . . . . 62.409999999999997 113.453 -175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.7 mt -68.07 151.57 46.84 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.179 2.192 . . . . 71.349999999999994 115.826 -172.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.97 -0.45 48.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 113.642 -1.617 . . . . 75.319999999999993 112.587 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -133.39 155.67 49.05 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.226 -1.768 . . . . 74.420000000000002 106.226 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.66 39.97 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 118.443 -0.789 . . . . 71.340000000000003 110.956 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 150.73 68.59 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.331 2.02 . . . . 62.350000000000001 109.191 157.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -87.21 168.93 12.78 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 106.866 -1.531 . . . . 72.040000000000006 106.866 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.94 -26.99 69.08 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.271 -1.518 . . . . 62.039999999999999 113.1 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.9 -40.03 91.52 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.773 -1.204 . . . . 73.439999999999998 111.899 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.3 -43.91 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 C-N-CA 126.454 1.902 . . . . 72.310000000000002 113.34 -173.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.27 82.83 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.704 1.138 . . . . 72.230000000000004 112.62 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 m -77.33 -33.76 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 O-C-N 121.534 -0.729 . . . . 64.040000000000006 109.096 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.86 -41.17 99.61 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 121.652 -0.655 . . . . 71.299999999999997 113.859 -172.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.478 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.8 mt-10 -64.06 -38.03 89.6 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.741 1.271 . . . . 71.340000000000003 113.992 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.7 mt -63.56 -51.96 63.12 Favored 'General case' 0 CA--C 1.478 -1.798 0 C-N-CA 124.778 1.231 . . . . 74.530000000000001 112.57 174.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 56' ' ' ALA . 25.5 mt -68.34 -40.83 81.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 113.981 -1.463 . . . . 73.409999999999997 111.318 -176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.09 81.45 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.383 -1.448 . . . . 53.340000000000003 114.161 174.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -90.48 18.85 5.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.94 -1.1 . . . . 71.340000000000003 112.191 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.405 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 13.7 t . . . . . 0 C--O 1.266 1.952 0 O-C-N 119.587 -1.946 . . . . 75.519999999999996 114.108 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 N--CA 1.456 -0.701 0 CA-C-O 117.405 -1.165 . . . . 75.439999999999998 114.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.69 -45.17 83.84 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 121.252 1.842 . . . . 74.25 114.154 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.06 -32.18 64.87 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 121.148 -0.97 . . . . 75.030000000000001 111.291 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.62 87.87 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.63 -0.7 . . . . 60.420000000000002 112.715 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 23' ' ' LEU . 10.4 t -60.94 -46.43 90.73 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.619 1.1 . . . . 72.019999999999996 108.275 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.98 -42.27 93.83 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.228 -1.545 . . . . 74.019999999999996 112.54 -171.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.05 -37.85 53.84 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.793 -1.192 . . . . 33.329999999999998 113.999 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.91 -39.33 81.2 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 127.164 2.186 . . . . 75.319999999999993 110.385 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.6 mt -86.32 -10.97 53.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.346 -0.843 . . . . 61.020000000000003 109.961 -175.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.2 47.09 14.86 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.547 1.939 . . . . 54.210000000000001 112.769 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.91 160.39 38.97 Favored Pre-proline 0 CA--C 1.511 -0.534 0 C-N-CA 125.061 1.344 . . . . 74.099999999999994 108.204 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.2 Cg_endo -74.1 173.77 13.55 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.086 1.858 . . . . 71.409999999999997 113.871 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.62 -40.06 82.24 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 129.646 3.179 . . . . 61.32 112.653 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.43 64.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 128.499 2.719 . . . . 35.329999999999998 113.641 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.1 m -101.49 -26.13 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 120.833 -1.167 . . . . 73.420000000000002 112.084 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -66.26 -31.6 72.51 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.121 -1.612 . . . . 73.019999999999996 111.926 167.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.534 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.7 -19.58 61.38 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 113.646 0.98 . . . . 75.540000000000006 113.646 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.09 -39.0 90.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.456 -0.777 . . . . 63.009999999999998 113.071 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.9 t80 -60.71 -43.89 97.24 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.06 1.133 . . . . 72.219999999999999 114.06 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 45.5 p90 -72.29 -35.6 68.73 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.677 1.732 . . . . 74.400000000000006 115.677 176.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.03 -24.64 67.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.737 1.615 . . . . 71.400000000000006 113.52 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--N 1.349 0.551 0 C-N-CA 128.493 2.717 . . . . 71.219999999999999 111.654 178.589 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 CA--C 1.513 -0.468 0 CA-C-O 121.152 0.501 . . . . 74.510000000000005 110.088 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -90.94 131.96 36.24 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.031 0.932 . . . . 74.129999999999995 111.696 -161.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -59.44 -33.23 71.01 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.636 1.974 . . . . 75.349999999999994 113.705 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.0 mt-10 -63.5 -29.81 71.03 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 116.508 2.04 . . . . 71.409999999999997 116.508 169.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.63 85.51 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.009 0.822 . . . . 73.430000000000007 111.392 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.28 94.94 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.325 -1.484 . . . . 54.149999999999999 113.462 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -63.63 -41.24 98.29 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.389 1.076 . . . . 73.409999999999997 110.92 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' HD23 ' A' ' 55' ' ' LEU . 6.7 p -69.94 -40.46 78.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 121.275 -0.89 . . . . 71.420000000000002 111.425 172.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.6 mt -59.9 -45.93 94.51 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 O-C-N 119.374 -2.079 . . . . 61.340000000000003 113.007 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 4.4 pp -67.39 -28.91 68.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 114.587 1.328 . . . . 74.430000000000007 114.587 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.41 -41.39 89.34 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 126.507 1.923 . . . . 74.430000000000007 114.171 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.6 mm? -61.0 -37.7 83.44 Favored 'General case' 0 C--N 1.367 1.333 0 O-C-N 118.917 -2.365 . . . . 75.310000000000002 112.192 173.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.26 -35.04 64.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.154 1.781 . . . . 53.450000000000003 115.368 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -82.74 -19.08 38.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.584 -0.698 . . . . 75.230000000000004 112.583 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -111.14 37.44 2.84 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.075 1.75 . . . . 71.439999999999998 112.783 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 68' ' ' LEU . 90.9 mt -84.42 -18.71 35.14 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 119.897 -1.752 . . . . 71.439999999999998 111.118 -177.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.18 -34.48 75.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.115 2.566 . . . . 70.530000000000001 109.651 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -28.06 69.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 128.55 2.74 . . . . 74.120000000000005 111.791 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD13 ' A' ' 68' ' ' LEU . 68.9 mt -69.43 159.28 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 126.814 2.046 . . . . 73.010000000000005 112.098 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.07 131.13 43.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.806 -1.184 . . . . 65.510000000000005 111.793 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.29 -26.36 67.73 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.265 1.209 . . . . 65.450000000000003 114.265 -174.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.32 -34.62 66.72 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.172 1.389 . . . . 53.43 113.493 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.5 ptm -81.22 -12.43 59.15 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.73 -1.231 . . . . 52.409999999999997 112.254 177.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.28 32.0 20.62 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.041 2.536 . . . . 71.239999999999995 116.187 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.8 122.33 27.55 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.246 -1.534 . . . . 74.120000000000005 110.821 176.262 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -141.16 149.41 41.45 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.974 -1.491 . . . . 70.319999999999993 106.974 165.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.541 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.7 t60 -65.49 130.87 44.84 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.597 1.159 . . . . 73.439999999999998 111.313 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.49 -11.71 70.58 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 124.12 0.867 . . . . 71.109999999999999 115.051 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.71 26.87 8.58 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.685 1.243 . . . . 74.040000000000006 110.55 -172.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.98 83.71 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 114.42 1.267 . . . . 73.209999999999994 114.42 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.8 mtp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 119.644 1.111 . . . . 75.310000000000002 112.326 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.44 -44.99 70.17 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.281 0.845 . . . . 74.549999999999997 113.281 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.57 -47.83 84.47 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.672 1.989 . . . . 72.230000000000004 113.102 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 121.131 -0.981 . . . . 75.209999999999994 113.087 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.2 mtm -63.7 -36.33 83.5 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 114.037 1.125 . . . . 72.239999999999995 114.037 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.18 -27.65 68.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.673 -1.267 . . . . 43.210000000000001 112.504 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -94.18 13.61 22.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.659 1.583 . . . . 65.200000000000003 114.573 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.9 0.45 63.95 Favored Glycine 0 C--N 1.351 1.4 0 O-C-N 120.976 -1.078 . . . . 34.109999999999999 114.365 167.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.93 143.02 57.07 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 118.439 1.12 . . . . 73.140000000000001 111.365 163.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -81.85 170.55 15.53 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.621 -1.925 . . . . 71.219999999999999 108.164 167.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.62 -34.87 79.28 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.609 -1.307 . . . . 72.120000000000005 112.574 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.8 87.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.437 1.895 . . . . 62.539999999999999 112.542 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -67.96 -39.54 83.36 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.524 1.13 . . . . 64.040000000000006 112.282 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.4 86.61 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.694 0.798 . . . . 54.149999999999999 112.902 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -69.61 -29.04 66.46 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.825 -1.172 . . . . 71.019999999999996 111.742 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.78 -43.03 98.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.038 1.496 . . . . 71.329999999999998 115.038 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.0 mt -63.43 -41.87 98.68 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 121.442 1.928 . . . . 62.530000000000001 112.343 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.89 -39.46 94.24 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.951 -1.093 . . . . 74.120000000000005 111.611 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.662 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.7 t70 -67.0 -41.23 87.07 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 115.085 1.513 . . . . 73.040000000000006 115.085 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.78 -44.8 91.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.454 1.101 . . . . 70.150000000000006 109.144 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -58.29 -50.64 72.9 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 123.396 0.678 . . . . 75.340000000000003 111.164 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.7 p80 -75.38 -27.98 59.33 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 117.715 -1.594 . . . . 73.409999999999997 109.38 -169.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.9 t -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.754 -1.566 . . . . 73.040000000000006 111.298 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.47 -32.61 74.09 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.505 1.298 . . . . 33.340000000000003 114.505 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.61 -24.71 66.87 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.727 1.211 . . . . 75.420000000000002 112.414 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -75.23 -40.17 59.27 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.212 1.805 . . . . 62.149999999999999 110.019 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.1 m -96.24 -29.04 3.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.441 0.696 . . . . 75.019999999999996 111.378 -164.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.86 155.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 122.586 1.184 . . . . 72.510000000000005 113.583 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.9 m -66.75 123.52 20.34 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.827 -1.17 . . . . 73.129999999999995 111.682 164.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.41 132.14 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 0 C-N-CA 128.536 2.734 . . . . 64.450000000000003 103.729 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 t -112.64 128.15 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 106.265 -1.754 . . . . 75.230000000000004 106.265 177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.6 91.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.37 1.248 . . . . 64.109999999999999 114.37 171.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.75 -39.89 95.38 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.052 1.741 . . . . 43.439999999999998 113.567 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -130.13 98.6 20.91 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 117.619 -1.181 . . . . 72.219999999999999 109.212 -160.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.51 -13.9 38.5 Favored 'Trans proline' 0 C--N 1.326 -0.606 0 CA-C-N 123.908 2.432 . . . . 72.239999999999995 112.777 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.5 m -70.21 -44.81 67.87 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.999 1.319 . . . . 53.039999999999999 110.924 -174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.31 95.06 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.963 -1.086 . . . . 70.129999999999995 111.925 171.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.5 m -56.62 -46.55 80.87 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.267 0.485 . . . . 73.219999999999999 111.687 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.79 -48.42 71.83 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.61 -1.307 . . . . 64.319999999999993 113.805 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.18 79.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.223 1.409 . . . . 74.120000000000005 112.293 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -62.62 -41.38 98.98 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.481 0.712 . . . . 63.030000000000001 109.843 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.05 -46.18 88.7 Favored 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 121.278 -0.889 . . . . 61.509999999999998 112.544 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.85 99.66 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.576 1.15 . . . . 73.129999999999995 110.926 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -73.05 -28.94 62.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.294 -0.412 . . . . 73.109999999999999 110.832 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -69.79 -46.77 65.02 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 120.602 -1.311 . . . . 51.240000000000002 113.556 167.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.9 t80 -55.11 -47.63 74.72 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.073 1.509 . . . . 73.230000000000004 115.073 174.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.425 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.0 ttpp -62.78 -32.0 73.08 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-O 122.214 1.006 . . . . 73.150000000000006 111.075 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.03 99.84 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 122.688 1.232 . . . . 45.229999999999997 112.516 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.64 -46.83 71.32 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.164 1.786 . . . . 62.5 113.596 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.7 pt -67.29 -23.35 30.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 O-C-N 119.117 -2.24 . . . . 65.400000000000006 114.305 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.5 -42.33 98.64 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 124.717 1.207 . . . . 64.019999999999996 111.563 169.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -77.82 -23.01 49.16 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.286 0.847 . . . . 74.230000000000004 113.286 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.3 mt -66.64 153.97 41.75 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 127.544 2.338 . . . . 74.209999999999994 115.32 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.29 -0.12 48.23 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.121 1.368 . . . . 74.519999999999996 111.874 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 16.3 p-90 -132.64 155.64 48.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 106.81 -1.552 . . . . 74.230000000000004 106.81 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.82 119.09 39.95 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-O 118.455 -0.783 . . . . 73.340000000000003 111.202 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.1 152.76 67.68 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.52 2.146 . . . . 74.239999999999995 109.028 157.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -84.82 168.73 14.84 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 106.507 -1.664 . . . . 61.219999999999999 106.507 172.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -32.76 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.299 -1.5 . . . . 64.450000000000003 112.542 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.18 -39.93 88.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.582 0.753 . . . . 74.299999999999997 112.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -45.27 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 126.619 1.967 . . . . 52.329999999999998 112.152 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.55 82.99 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.329 0.862 . . . . 42.399999999999999 113.329 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.2 -30.01 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 C-N-CA 118.751 -1.18 . . . . 75.209999999999994 108.103 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.75 99.81 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 120.62 -0.8 . . . . 74.310000000000002 114.161 -172.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.462 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.2 mt-10 -64.53 -37.03 86.14 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.989 1.395 . . . . 75.420000000000002 113.629 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.7 mt -63.83 -51.88 62.7 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.519 1.127 . . . . 62.409999999999997 112.688 173.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 56' ' ' ALA . 24.7 mt -68.27 -41.51 80.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.316 -1.311 . . . . 64.109999999999999 111.437 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.33 87.81 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 119.883 -1.761 . . . . 54.100000000000001 114.339 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.53 28.13 3.93 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.805 -1.184 . . . . 73.439999999999998 112.014 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.4 t . . . . . 0 C--O 1.264 1.841 0 O-C-N 119.508 -1.995 . . . . 65.319999999999993 113.792 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 CA-C-O 117.576 -1.093 . . . . 74.109999999999999 114.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -67.25 -42.83 83.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.465 1.939 . . . . 64.209999999999994 113.342 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.55 -31.79 67.39 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 61.240000000000002 112.191 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.39 93.56 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.075 -1.016 . . . . 65.420000000000002 112.682 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.48 -0.66 18.23 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.91 1.284 . . . . 50.329999999999998 113.709 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.9 -49.04 7.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.638 -1.914 . . . . 71.510000000000005 110.123 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.41 -37.85 36.2 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.256 -1.527 . . . . 71.109999999999999 114.321 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.7 -37.95 80.27 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 128.237 2.615 . . . . 73.329999999999998 110.265 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.68 -7.8 53.81 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.09 -1.414 . . . . 72.540000000000006 109.233 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 56.5 45.38 22.55 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 127.623 2.369 . . . . 73.430000000000007 113.547 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.92 158.77 41.48 Favored Pre-proline 0 C--N 1.349 0.576 0 C-N-CA 124.215 1.006 . . . . 52.100000000000001 109.004 -174.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.1 Cg_endo -73.68 167.13 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.73 2.287 . . . . 71.120000000000005 113.836 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.98 -35.58 75.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.693 2.797 . . . . 60.399999999999999 109.126 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.22 -30.52 66.56 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 127.652 2.381 . . . . 74.109999999999999 114.38 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.1 m -99.58 -26.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 O-C-N 120.481 -1.387 . . . . 63.200000000000003 111.686 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -65.1 -29.53 70.4 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 118.474 -2.641 . . . . 61.340000000000003 112.173 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.55 -16.82 59.52 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 121.267 -0.896 . . . . 71.049999999999997 112.719 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -67.54 -29.15 68.47 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.0 -1.063 . . . . 65.219999999999999 111.427 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.36 -42.39 98.63 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.136 1.775 . . . . 75.420000000000002 114.612 166.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.07 -43.2 93.0 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.231 -1.543 . . . . 64.010000000000005 113.166 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -66.13 -25.02 66.78 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.297 1.839 . . . . 61.140000000000001 114.419 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--N 1.349 0.546 0 C-N-CA 126.776 2.031 . . . . 74.239999999999995 112.345 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.949 0.404 . . . . 74.450000000000003 111.622 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -83.79 134.61 34.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.167 0.987 . . . . 74.129999999999995 112.439 -162.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.02 -31.99 70.47 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 125.618 1.567 . . . . 70.329999999999998 113.756 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.4 mt-10 -61.9 -30.47 70.91 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 114.559 1.318 . . . . 63.520000000000003 114.559 171.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 118.107 0.412 . . . . 75.049999999999997 111.326 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.72 97.15 Favored Glycine 0 CA--C 1.487 -1.668 0 O-C-N 120.533 -1.354 . . . . 73.230000000000004 112.783 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.5 m -63.77 -40.42 96.65 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.88 0.872 . . . . 74.239999999999995 111.256 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.14 -42.88 85.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.128 -0.983 . . . . 62.530000000000001 111.712 171.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.71 -45.69 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 120.633 -1.292 . . . . 53.049999999999997 112.27 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.65 -28.11 67.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 114.661 1.356 . . . . 54.409999999999997 114.661 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.5 t -62.58 -42.88 99.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.84 1.656 . . . . 74.109999999999999 112.187 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -38.67 85.87 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 121.301 1.864 . . . . 73.120000000000005 113.739 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.37 -36.23 68.59 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 126.311 1.844 . . . . 73.540000000000006 115.076 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.89 -16.0 52.07 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.849 1.055 . . . . 72.019999999999996 113.849 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -116.14 45.49 1.75 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.414 -1.429 . . . . 61.140000000000001 112.167 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.66 -13.13 32.32 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 124.078 1.894 . . . . 75.420000000000002 110.263 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.27 -34.05 76.83 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 129.287 3.035 . . . . 71.209999999999994 110.473 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.18 -29.83 68.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 128.595 2.758 . . . . 73.430000000000007 110.89 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 161.05 31.21 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.413 2.285 . . . . 64.219999999999999 110.636 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.06 138.09 45.69 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 120.378 -1.451 . . . . 71.129999999999995 112.778 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.47 -28.21 69.66 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.801 -1.187 . . . . 65.450000000000003 113.442 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -57.24 -37.44 72.29 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.095 1.758 . . . . 72.420000000000002 113.513 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.4 ptm -76.69 -14.77 59.93 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.857 -1.152 . . . . 70.209999999999994 112.317 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 m120 69.1 24.24 6.2 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 130.426 3.49 . . . . 75.209999999999994 117.002 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -79.01 123.78 27.63 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 119.562 -1.961 . . . . 74.239999999999995 112.238 179.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -141.01 158.61 43.69 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.344 -0.848 . . . . 75.430000000000007 109.258 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -67.11 132.33 47.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.802 0.841 . . . . 75.299999999999997 109.491 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.8 -13.49 42.57 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 121.1 -1.0 . . . . 74.510000000000005 114.273 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -90.47 15.35 10.89 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.795 1.638 . . . . 71.510000000000005 111.065 -171.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.8 76.15 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 127.43 2.292 . . . . 72.129999999999995 113.473 -169.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.3 mtt -59.9 -41.67 92.13 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.615 -1.303 . . . . 74.239999999999995 112.579 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.67 -42.45 24.73 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 123.863 1.792 . . . . 72.409999999999997 115.179 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 26.9 t80 -59.04 -44.83 91.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 111.841 -2.436 . . . . 73.109999999999999 113.014 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -59.18 -40.32 85.28 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.751 -1.218 . . . . 53.439999999999998 113.138 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.9 mtm -62.93 -36.65 84.13 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.708 1.203 . . . . 73.019999999999996 113.432 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -60.87 -27.57 68.22 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.875 -1.141 . . . . 74.409999999999997 112.361 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 42.8 m170 -93.81 11.85 27.85 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.081 1.352 . . . . 74.120000000000005 114.236 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.44 2.59 63.53 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 120.727 -1.233 . . . . 14.220000000000001 114.638 169.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.92 144.5 56.2 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.646 1.223 . . . . 52.109999999999999 111.204 162.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.86 172.05 13.25 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.768 -1.833 . . . . 74.030000000000001 108.581 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -64.91 -31.81 73.22 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.452 -1.405 . . . . 75.310000000000002 112.95 -171.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.24 71.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.388 1.475 . . . . 40.210000000000001 112.408 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.05 -40.36 96.12 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.949 2.1 . . . . 70.010000000000005 113.102 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.59 88.86 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.828 1.251 . . . . 63.229999999999997 112.984 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -77.52 -27.82 51.87 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.683 0.793 . . . . 72.239999999999995 112.235 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -60.03 -42.26 94.01 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 114.764 1.394 . . . . 75.349999999999994 114.764 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 135' ' ' ALA . 59.4 mt -62.57 -41.64 99.06 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 120.929 1.695 . . . . 65.329999999999998 112.491 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.69 -39.52 93.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 120.99 -1.069 . . . . 72.450000000000003 111.684 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.658 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 33.4 t70 -66.24 -40.98 90.62 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.325 1.45 . . . . 55.299999999999997 114.858 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.94 -44.26 90.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 124.401 1.08 . . . . 72.409999999999997 109.843 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.14 -50.41 73.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 123.484 0.714 . . . . 71.129999999999995 111.13 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.658 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.2 p80 -73.53 -28.96 62.16 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 123.087 1.422 . . . . 75.430000000000007 109.585 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 t -65.53 -41.32 93.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.325 -1.761 . . . . 52.32 112.295 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.6 m -68.6 -35.65 77.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.543 1.312 . . . . 74.450000000000003 114.543 173.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.34 -29.42 68.88 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.79 1.236 . . . . 71.340000000000003 113.049 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -85.94 -19.48 30.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 122.773 0.429 . . . . 70.420000000000002 112.023 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -101.09 -31.2 3.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 O-C-N 121.402 -0.811 . . . . 71.310000000000002 111.314 -175.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.36 156.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.857 1.429 . . . . 63.530000000000001 114.857 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.5 m -68.35 126.68 30.37 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.956 -1.09 . . . . 54.310000000000002 112.315 164.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.426 HG12 HG23 ' A' ' 111' ' ' THR . 68.8 mt -112.11 132.76 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 129.131 2.972 . . . . 72.349999999999994 103.709 177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -114.19 128.34 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 105.81 -1.922 . . . . 61.43 105.81 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.43 90.02 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.44 1.274 . . . . 74.230000000000004 114.44 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.46 -38.39 90.87 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.462 1.505 . . . . 63.32 114.203 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -127.58 95.88 34.29 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-O 117.772 -1.109 . . . . 73.030000000000001 108.658 -162.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 -13.84 38.51 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 CA-C-N 123.772 2.383 . . . . 61.140000000000001 112.831 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.92 -44.18 70.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.004 1.322 . . . . 75.439999999999998 110.843 -175.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -44.79 96.19 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 121.023 -1.048 . . . . 73.040000000000006 111.325 173.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 103' ' ' ILE . 66.9 m -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.711 0.263 . . . . 74.239999999999995 111.711 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.7 tpt -65.92 -48.38 71.6 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.718 -1.239 . . . . 63.32 113.58 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -45.18 82.15 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.134 1.374 . . . . 64.340000000000003 112.333 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.67 -41.61 99.18 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.884 0.874 . . . . 75.140000000000001 109.801 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.31 -46.48 86.51 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.288 -0.882 . . . . 61.549999999999997 112.323 175.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.18 98.0 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.726 1.21 . . . . 74.109999999999999 111.112 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.2 ptm -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.1 -0.476 . . . . 74.239999999999995 111.051 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 47.9 t -69.31 -46.62 66.67 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 120.028 1.285 . . . . 72.0 113.468 167.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.3 t80 -55.19 -48.37 73.91 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 115.129 1.529 . . . . 72.239999999999995 115.129 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -63.85 -29.14 70.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-O 121.732 0.777 . . . . 63.149999999999999 111.916 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -62.27 -44.36 96.71 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 122.544 1.164 . . . . 65.030000000000001 112.044 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.29 -46.32 73.94 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.645 1.578 . . . . 71.329999999999998 114.172 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.2 pt -67.26 -21.03 27.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 O-C-N 118.718 -2.489 . . . . 71.319999999999993 115.472 172.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -63.94 -39.78 94.93 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.174 -0.954 . . . . 74.209999999999994 111.601 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -77.45 -25.07 50.24 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.12 0.785 . . . . 70.010000000000005 113.12 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.8 mt -65.98 151.54 46.58 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.362 2.265 . . . . 75.319999999999993 115.282 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.69 0.08 45.0 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.744 -1.571 . . . . 71.409999999999997 112.789 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -132.63 154.87 49.65 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 105.791 -1.929 . . . . 74.129999999999995 105.791 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.13 38.18 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.448 -0.787 . . . . 75.310000000000002 111.147 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.55 153.57 65.2 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.358 2.039 . . . . 70.340000000000003 110.048 158.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.5 p -84.4 169.64 14.38 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 106.927 -1.508 . . . . 72.140000000000001 106.927 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -35.63 77.57 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.349 -1.47 . . . . 75.109999999999999 111.809 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -62.57 -26.06 68.39 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.367 1.067 . . . . 73.030000000000001 113.475 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.81 -46.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 126.58 1.952 . . . . 71.230000000000004 110.958 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.402 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.48 -46.54 85.68 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.249 -1.532 . . . . 54.439999999999998 114.039 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.17 -29.28 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 O-C-N 120.722 -1.236 . . . . 64.400000000000006 108.24 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.02 -44.19 96.42 Favored Glycine 0 C--N 1.359 1.842 0 CA-C-O 119.779 -0.456 . . . . 74.530000000000001 113.237 -174.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.436 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.93 -37.78 84.96 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 118.691 1.245 . . . . 71.420000000000002 113.447 177.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -63.53 -51.34 65.9 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.628 1.171 . . . . 72.129999999999995 112.827 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 56' ' ' ALA . 68.2 mt -68.38 -38.43 81.35 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.457 -1.247 . . . . 75.030000000000001 111.754 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.451 -1.406 . . . . 71.439999999999998 114.521 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -96.67 33.36 1.86 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.2 -0.937 . . . . 72.540000000000006 111.74 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.261 1.676 0 O-C-N 119.93 -1.731 . . . . 61.229999999999997 114.472 178.704 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.456 -0.713 0 N-CA-C 114.472 0.912 . . . . 73.400000000000006 114.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.6 -42.61 51.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.602 1.092 . . . . 71.349999999999994 111.225 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.9 -32.05 65.08 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.319 -0.863 . . . . 72.049999999999997 111.722 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.75 96.4 Favored 'General case' 0 CA--C 1.503 -0.843 0 O-C-N 121.478 -0.764 . . . . 72.310000000000002 112.618 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.8 t -61.06 -46.03 92.32 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 108.282 -1.007 . . . . 52.109999999999999 108.282 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.15 -43.3 92.07 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.02 -1.675 . . . . 65.230000000000004 112.566 -172.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.63 -38.66 54.33 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 114.356 1.243 . . . . 61.130000000000003 114.356 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.63 -39.23 83.62 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 126.085 1.754 . . . . 75.120000000000005 110.653 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.6 mt -84.52 -11.97 55.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.215 -0.902 . . . . 64.049999999999997 110.111 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.6 47.4 13.29 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.852 2.061 . . . . 70.040000000000006 112.998 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.26 157.56 50.83 Favored Pre-proline 0 C--N 1.348 0.502 0 C-N-CA 124.698 1.199 . . . . 72.400000000000006 108.427 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.7 Cg_endo -74.91 165.65 30.93 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.206 1.937 . . . . 50.32 113.138 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.22 -25.68 68.18 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 127.584 2.354 . . . . 71.400000000000006 110.257 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.86 69.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.378 1.871 . . . . 73.120000000000005 114.179 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG13 ' HG2' ' A' ' 26' ' ' PRO . 6.0 m -101.34 -24.92 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 120.763 -1.211 . . . . 74.409999999999997 111.233 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.85 -29.88 69.91 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 118.569 -2.582 . . . . 74.420000000000002 111.112 171.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -77.13 -16.64 59.09 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 121.319 -0.863 . . . . 71.129999999999995 112.163 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -67.55 -28.74 68.05 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.864 -1.148 . . . . 74.030000000000001 111.444 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.811 2.045 . . . . 75.400000000000006 114.367 166.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.54 -42.91 98.38 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.234 -1.541 . . . . 72.450000000000003 112.785 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -65.52 -29.47 70.11 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 126.549 1.939 . . . . 71.140000000000001 114.144 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.346 0.441 0 C-N-CA 127.593 2.357 . . . . 72.439999999999998 112.667 -179.576 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 CA--C 1.514 -0.405 0 CA-C-O 121.132 0.491 . . . . 62.039999999999999 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -88.09 132.5 34.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.152 0.981 . . . . 74.239999999999995 111.682 -164.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 126.259 1.824 . . . . 74.519999999999996 113.57 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.3 mt-10 -62.44 -31.77 72.53 Favored 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 115.637 1.717 . . . . 71.099999999999994 115.637 170.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.63 91.43 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 121.373 0.606 . . . . 44.130000000000003 110.911 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -39.93 97.6 Favored Glycine 0 CA--C 1.487 -1.684 0 O-C-N 120.773 -1.204 . . . . 64.340000000000003 112.678 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.67 -41.33 98.18 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.706 0.802 . . . . 74.040000000000006 111.19 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 p -68.88 -41.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 121.081 -1.012 . . . . 72.239999999999995 111.933 172.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.92 -46.02 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 O-C-N 119.858 -1.776 . . . . 61.119999999999997 112.294 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.57 -29.09 68.37 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.441 1.645 . . . . 74.140000000000001 115.441 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.522 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.2 t -62.98 -41.99 99.71 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 127.661 2.384 . . . . 73.299999999999997 112.904 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.19 -35.62 75.78 Favored 'General case' 0 C--N 1.366 1.322 0 CA-C-N 120.05 1.295 . . . . 70.219999999999999 113.852 174.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.5 -38.33 71.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.988 1.477 . . . . 63.530000000000001 114.988 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.95 -40.78 75.23 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 122.454 1.121 . . . . 71.439999999999998 112.521 169.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -89.24 42.68 1.1 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.155 1.782 . . . . 74.409999999999997 113.807 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.54 -16.55 27.0 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 123.736 1.731 . . . . 73.040000000000006 109.767 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -62.13 -34.6 76.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 128.105 2.562 . . . . 73.310000000000002 110.115 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.58 -28.86 68.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.53 2.732 . . . . 64.25 111.901 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 68' ' ' LEU . 77.7 mt -69.88 157.6 37.11 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.599 1.959 . . . . 63.240000000000002 112.472 -173.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.4 131.2 43.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 121.031 -1.043 . . . . 71.400000000000006 111.552 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -60.81 -25.98 66.97 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.23 1.412 . . . . 74.5 113.974 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.5 -34.95 65.06 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 125.309 1.444 . . . . 64.519999999999996 113.43 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -76.09 -21.9 56.2 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.746 -1.221 . . . . 72.540000000000006 112.401 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 63.3 37.55 10.93 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.594 3.157 . . . . 72.319999999999993 117.921 -173.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -86.79 125.18 33.77 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.098 -1.626 . . . . 72.430000000000007 110.704 173.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.13 165.45 26.05 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 118.106 -1.437 . . . . 62.130000000000003 107.422 159.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.13 131.63 46.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.979 -1.701 . . . . 71.310000000000002 113.632 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.3 -12.0 70.73 Favored Glycine 0 C--N 1.348 1.22 0 C-N-CA 125.403 1.478 . . . . 74.239999999999995 116.718 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 19.53 20.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 120.841 2.321 . . . . 74.409999999999997 112.916 -160.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.87 66.96 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 127.486 2.314 . . . . 53.530000000000001 113.803 -168.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mtt -60.33 -38.76 84.76 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.994 1.27 . . . . 75.219999999999999 112.93 -175.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.71 -44.71 32.32 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.234 0.827 . . . . 73.430000000000007 113.234 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 34.0 t80 -60.43 -44.09 96.13 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.662 2.385 . . . . 74.109999999999999 114.291 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.82 -41.22 81.78 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 124.352 1.061 . . . . 35.409999999999997 113.1 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.4 -35.78 81.54 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 114.234 1.198 . . . . 71.420000000000002 114.234 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.94 -28.45 68.97 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.842 -1.161 . . . . 70.439999999999998 112.208 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.577 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 37.7 m170 -94.84 12.66 27.3 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 125.636 1.574 . . . . 72.530000000000001 114.171 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.61 0.64 64.47 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 120.948 -1.095 . . . . 63.109999999999999 114.337 168.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 143.39 55.85 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.513 1.157 . . . . 74.299999999999997 110.812 162.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -83.03 173.44 11.76 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.549 -1.969 . . . . 71.400000000000006 108.301 169.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.34 -32.23 73.75 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.248 -1.533 . . . . 71.420000000000002 112.864 -172.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.13 75.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.783 1.633 . . . . 63.43 112.194 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.23 -40.73 96.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.994 1.718 . . . . 73.439999999999998 112.974 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.36 89.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.292 1.037 . . . . 74.120000000000005 112.699 176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.11 -28.7 61.48 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.629 0.772 . . . . 71.340000000000003 111.819 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.8 -42.94 98.62 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 115.139 1.533 . . . . 44.329999999999998 115.139 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 135' ' ' ALA . 61.5 mt -63.13 -41.41 99.31 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 121.33 1.877 . . . . 74.530000000000001 112.275 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.09 -40.1 95.49 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.915 -1.116 . . . . 64.200000000000003 111.923 172.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.02 -42.6 94.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.294 1.438 . . . . 74.109999999999999 112.78 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.5 -45.03 94.2 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 124.525 1.13 . . . . 74.409999999999997 109.974 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.38 -55.39 35.35 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 121.865 -0.522 . . . . 72.209999999999994 111.638 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -70.93 -25.34 62.71 Favored 'General case' 0 N--CA 1.439 -1.023 0 O-C-N 120.677 -1.264 . . . . 64.219999999999999 112.054 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.76 -42.21 91.16 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 122.846 1.307 . . . . 73.0 112.666 170.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -68.05 -34.7 76.94 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.702 -1.249 . . . . 61.539999999999999 114.105 174.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.37 -29.07 68.69 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.092 1.357 . . . . 75.109999999999999 113.003 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -19.29 29.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.198 0.444 . . . . 75.120000000000005 112.198 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.54 -30.29 3.24 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 121.4 -0.813 . . . . 41.140000000000001 111.29 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.09 155.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 N-CA-C 114.876 1.436 . . . . 70.140000000000001 114.876 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -66.76 127.02 30.85 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 121.049 -1.032 . . . . 61.43 112.428 164.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -112.13 133.03 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.61 0 C-N-CA 129.445 3.098 . . . . 73.219999999999999 103.222 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -112.34 129.54 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.478 -2.045 . . . . 63.200000000000003 105.478 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.27 98.95 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 113.46 0.911 . . . . 74.409999999999997 113.46 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -77.22 -24.02 51.33 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.058 1.873 . . . . 71.349999999999994 116.058 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -133.91 97.78 15.08 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-O 117.869 -1.063 . . . . 62.32 109.385 -168.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -68.77 -13.59 37.29 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 CA-C-N 123.741 2.372 . . . . 63.439999999999998 112.704 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.2 m -70.4 -45.21 66.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 124.82 1.248 . . . . 64.420000000000002 111.188 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.405 1.082 . . . . 74.010000000000005 111.938 172.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.8 m -55.03 -47.51 74.63 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 123.823 0.849 . . . . 73.239999999999995 111.178 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -46.45 62.46 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.36 -1.463 . . . . 73.409999999999997 113.862 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.81 92.2 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.021 -1.675 . . . . 74.209999999999994 112.607 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.3 -41.61 98.65 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.725 0.81 . . . . 64.519999999999996 109.849 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.75 -47.03 85.3 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 121.345 -0.847 . . . . 71.120000000000005 112.422 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.05 98.42 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.342 1.457 . . . . 51.219999999999999 110.432 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.92 -31.28 68.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 119.384 -0.341 . . . . 62.549999999999997 110.59 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.8 t -70.11 -46.44 64.8 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 120.797 -1.189 . . . . 61.130000000000003 113.556 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 74.7 t80 -55.65 -47.77 76.1 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 114.751 1.389 . . . . 70.230000000000004 114.751 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.6 tptt -61.56 -33.17 73.4 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.804 1.241 . . . . 71.340000000000003 112.142 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.98 99.73 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.495 1.141 . . . . 64.219999999999999 112.501 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -67.28 -47.13 71.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.032 1.333 . . . . 72.239999999999995 114.239 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.4 pt -67.61 -22.41 28.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 O-C-N 118.989 -2.32 . . . . 70.209999999999994 114.359 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -42.88 99.67 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.918 1.287 . . . . 70.140000000000001 111.627 168.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -78.22 -23.46 47.43 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.483 0.92 . . . . 71.519999999999996 113.483 -171.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.0 mt -65.95 153.19 42.75 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.326 2.25 . . . . 64.420000000000002 115.138 -177.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.13 -0.06 50.5 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.026 1.33 . . . . 61.219999999999999 112.066 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.2 154.29 48.57 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 106.198 -1.779 . . . . 65.239999999999995 106.198 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.31 117.49 38.62 Favored Pre-proline 0 N--CA 1.445 -0.698 0 CA-C-O 118.525 -0.75 . . . . 70.519999999999996 111.213 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.61 148.03 65.13 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.26 1.973 . . . . 62.409999999999997 109.804 158.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.28 167.84 19.1 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.754 0.788 . . . . 63.509999999999998 109.112 164.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.57 -34.24 75.25 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.56 -1.337 . . . . 54.210000000000001 111.382 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -62.14 -26.49 68.35 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 123.887 0.875 . . . . 74.340000000000003 113.129 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -45.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 126.65 1.98 . . . . 55.009999999999998 111.588 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.418 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.25 -47.32 82.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.49 -1.381 . . . . 63.109999999999999 114.078 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.1 -28.47 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 120.655 -1.278 . . . . 71.340000000000003 108.343 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.0 96.42 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 119.413 -0.659 . . . . 75.230000000000004 113.257 -176.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.412 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -68.23 -35.19 77.56 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.161 1.481 . . . . 75.299999999999997 113.039 177.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.6 mt -61.76 -55.97 24.48 Favored 'General case' 0 CA--C 1.478 -1.806 0 O-C-N 121.462 -0.774 . . . . 74.5 112.686 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 56' ' ' ALA . 76.2 mt -66.98 -37.13 83.69 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.578 -0.737 . . . . 72.540000000000006 112.737 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.04 94.81 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.848 -1.158 . . . . 64.340000000000003 114.012 173.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 121.422 -0.799 . . . . 72.219999999999999 111.294 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--O 1.259 1.597 0 N-CA-C 115.467 1.655 . . . . 74.049999999999997 115.467 -176.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.518 2.947 0 N-CA-C 115.5 1.667 . . . . 51.229999999999997 115.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.71 -36.78 81.26 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.547 -1.345 . . . . 64.25 113.179 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -83.16 0.21 46.34 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.908 -1.12 . . . . 70.099999999999994 113.411 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.37 -46.07 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 114.603 -1.181 . . . . 74.0 110.156 166.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 68.1 mtt -68.67 -41.09 79.74 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.749 1.388 . . . . 74.209999999999994 114.749 -148.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -81.83 153.96 26.15 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 122.125 0.965 . . . . 75.219999999999999 111.582 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.96 -41.63 97.52 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.292 1.437 . . . . 60.530000000000001 112.923 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.5 ttp -99.83 129.52 45.94 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.703 -1.221 . . . . 74.340000000000003 107.703 170.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -142.43 155.0 45.06 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 105.378 -2.082 . . . . 63.219999999999999 105.378 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.5 mm -116.53 117.67 56.25 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 N-CA-C 109.053 -0.721 . . . . 52.100000000000001 109.053 -167.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.83 -40.15 94.71 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.88 1.272 . . . . 64.510000000000005 113.411 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -82.51 2.63 31.97 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.147 1.166 . . . . 74.129999999999995 114.147 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.73 61.51 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 115.979 1.844 . . . . 53.219999999999999 115.979 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -60.19 -46.6 97.83 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-O 116.506 -1.711 . . . . 54.5 114.145 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.51 -25.28 35.26 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 124.967 2.81 . . . . 52.229999999999997 113.992 168.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.2 ttm -79.98 -41.52 25.76 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 118.83 0.741 . . . . 73.420000000000002 111.222 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -69.79 -33.13 71.95 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.163 0.985 . . . . 73.439999999999998 111.211 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.38 96.97 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.55 1.14 . . . . 73.310000000000002 112.151 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.5 t -60.15 -46.36 89.95 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 108.591 -0.892 . . . . 51.020000000000003 108.591 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.6 -42.79 93.39 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.03 -1.669 . . . . 73.5 112.517 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.92 -38.0 54.29 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.369 1.248 . . . . 75.239999999999995 114.369 175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.91 -39.16 80.67 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.67 1.988 . . . . 64.230000000000004 110.887 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.8 mt -85.21 -11.48 54.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.403 -0.817 . . . . 62.109999999999999 109.894 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.52 47.05 14.02 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 126.848 2.059 . . . . 72.230000000000004 112.907 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.38 157.0 50.41 Favored Pre-proline 0 C--N 1.347 0.493 0 C-N-CA 124.337 1.055 . . . . 53.350000000000001 109.171 -174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -75.33 166.66 28.36 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.455 2.104 . . . . 72.25 113.574 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -64.33 -24.51 67.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 128.296 2.638 . . . . 75.409999999999997 110.19 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.47 70.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 126.256 1.822 . . . . 43.25 113.613 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.3 m -102.1 -21.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 O-C-N 120.325 -1.485 . . . . 74.140000000000001 112.201 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -69.08 -32.29 71.63 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.307 -1.496 . . . . 72.219999999999999 110.75 167.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -75.72 -17.94 59.76 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.611 -1.305 . . . . 74.230000000000004 112.612 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.11 -39.8 87.43 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.006 -1.059 . . . . 73.099999999999994 112.727 168.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -59.74 -40.46 88.16 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 126.502 1.921 . . . . 73.510000000000005 115.285 167.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -62.59 -43.9 97.65 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 120.183 -1.573 . . . . 53.350000000000001 113.542 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.98 -29.49 70.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.652 1.981 . . . . 72.010000000000005 114.545 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -57.3 -39.06 74.99 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 128.017 2.527 . . . . 75.519999999999996 112.727 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -67.3 -22.25 65.64 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.15 0.796 . . . . 72.400000000000006 113.15 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.04 127.55 31.77 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 121.653 0.739 . . . . 53.43 110.664 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -71.39 129.75 39.6 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.953 -1.717 . . . . 72.120000000000005 114.549 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.69 -2.7 66.92 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 124.261 0.934 . . . . 73.409999999999997 113.631 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -71.34 135.43 47.33 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 118.78 1.29 . . . . 64.439999999999998 111.697 -169.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -86.71 78.28 9.15 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.636 -1.29 . . . . 75.430000000000007 113.244 -163.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -97.3 115.26 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 107.726 -1.213 . . . . 54.219999999999999 107.726 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p -120.82 0.61 10.36 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.733 1.213 . . . . 71.319999999999993 111.026 -173.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -85.59 131.49 34.35 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.882 0.873 . . . . 74.219999999999999 111.806 -163.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.84 -32.58 70.8 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.06 1.744 . . . . 74.0 113.354 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.7 mt-10 -62.64 -31.35 72.19 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.874 1.805 . . . . 75.140000000000001 115.874 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.61 89.05 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 118.738 0.699 . . . . 72.540000000000006 111.11 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.05 96.28 Favored Glycine 0 CA--C 1.487 -1.69 0 O-C-N 120.5 -1.375 . . . . 64.430000000000007 112.839 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.49 -41.56 98.54 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.112 0.965 . . . . 73.400000000000006 111.021 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.6 p -68.3 -40.82 83.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.225 -0.922 . . . . 72.299999999999997 112.178 171.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.78 -45.79 97.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 O-C-N 119.787 -1.821 . . . . 73.310000000000002 112.526 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.22 -29.1 67.86 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 114.999 1.481 . . . . 70.109999999999999 114.999 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.3 t -63.0 -42.47 99.85 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.583 2.353 . . . . 52.0 113.326 176.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.39 -37.56 81.2 Favored 'General case' 0 C--N 1.368 1.372 0 CA-C-N 120.366 1.439 . . . . 63.399999999999999 113.762 175.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.3 -37.29 69.7 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 115.332 1.605 . . . . 73.310000000000002 115.332 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.6 -40.02 73.47 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 122.211 1.005 . . . . 64.319999999999993 112.857 168.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.92 38.48 1.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.255 1.822 . . . . 64.230000000000004 112.303 -168.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.411 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.5 mt -85.97 -16.89 36.9 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 123.649 1.69 . . . . 63.310000000000002 109.501 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -61.15 -34.03 74.36 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 128.183 2.593 . . . . 75.120000000000005 110.024 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -28.27 67.32 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 129.13 2.972 . . . . 55.310000000000002 111.901 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 68' ' ' LEU . 72.5 mt -69.45 159.85 32.49 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.873 2.069 . . . . 73.5 111.582 -174.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -74.94 139.56 43.11 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.726 -1.234 . . . . 72.019999999999996 109.141 -174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.59 -27.32 67.64 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.983 1.105 . . . . 73.030000000000001 113.983 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -58.59 -34.22 70.84 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.692 -1.255 . . . . 73.150000000000006 113.699 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ptp -80.31 -11.19 59.74 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.795 -1.191 . . . . 64.439999999999998 112.395 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 m120 65.54 23.33 11.8 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.204 3.002 . . . . 70.230000000000004 115.62 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -81.74 123.62 28.91 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 119.715 -1.866 . . . . 72.019999999999996 111.414 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -141.29 152.65 44.66 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 107.816 -1.179 . . . . 54.030000000000001 107.816 166.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -67.81 129.54 40.22 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 122.571 1.177 . . . . 73.540000000000006 113.503 -176.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.65 -8.81 79.23 Favored Glycine 0 C--N 1.347 1.165 0 C-N-CA 124.545 1.069 . . . . 43.299999999999997 114.757 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -102.54 22.38 13.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.038 -1.272 . . . . 73.450000000000003 111.441 -170.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.15 81.84 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 114.533 1.309 . . . . 71.120000000000005 114.533 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.0 mtt -61.36 -40.51 94.55 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.436 1.016 . . . . 71.209999999999994 112.305 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -73.2 -44.61 59.46 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.575 0.75 . . . . 73.150000000000006 112.724 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -60.07 -47.5 85.61 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 126.656 1.983 . . . . 75.329999999999998 113.331 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.89 93.52 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 121.044 -1.035 . . . . 75.310000000000002 113.074 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.0 mtp -63.49 -36.84 85.09 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.693 1.197 . . . . 52.439999999999998 113.63 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.37 -27.74 68.73 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.865 -1.147 . . . . 72.120000000000005 112.485 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -94.23 13.59 22.89 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.738 1.615 . . . . 74.239999999999995 114.556 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.05 0.89 63.33 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 120.969 -1.082 . . . . 22.43 114.284 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 142.33 57.28 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 118.394 1.097 . . . . 55.210000000000001 111.329 163.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.05 169.38 16.77 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.391 -2.068 . . . . 74.120000000000005 107.803 168.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -64.78 -34.31 78.03 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.568 -1.333 . . . . 70.120000000000005 112.798 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.69 90.09 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.628 1.971 . . . . 54.399999999999999 112.346 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmt -72.98 -35.76 66.94 Favored 'General case' 0 N--CA 1.443 -0.8 0 O-C-N 121.123 -0.986 . . . . 63.119999999999997 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.65 85.0 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.897 0.879 . . . . 74.430000000000007 112.909 175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.26 -28.23 66.14 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.776 -1.203 . . . . 63.32 112.394 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -42.43 97.58 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 115.014 1.487 . . . . 71.510000000000005 115.014 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 135' ' ' ALA . 42.2 mt -63.43 -41.24 98.67 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 121.748 2.067 . . . . 65.349999999999994 112.644 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.07 -40.87 97.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.354 -0.841 . . . . 73.140000000000001 111.766 172.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.75 -42.59 97.81 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 120.573 -1.329 . . . . 74.519999999999996 112.328 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -44.75 93.16 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 C-N-CA 124.363 1.065 . . . . 62.310000000000002 110.406 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -58.47 -56.79 17.56 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 121.777 -0.577 . . . . 70.400000000000006 111.935 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -68.58 -29.35 67.87 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 121.27 -0.894 . . . . 74.540000000000006 110.824 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 t -66.74 -40.21 88.25 Favored 'General case' 0 C--N 1.359 1.009 0 CA-C-O 122.518 1.151 . . . . 74.310000000000002 113.336 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.461 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -68.32 -34.91 76.98 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.569 1.548 . . . . 65.239999999999995 114.452 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.26 -32.2 70.93 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.342 1.057 . . . . 71.430000000000007 111.347 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -83.66 -19.63 35.01 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.328 0.651 . . . . 54.109999999999999 111.797 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.2 m -100.48 -30.61 3.26 Favored 'Isoleucine or valine' 0 C--N 1.362 1.151 0 O-C-N 121.505 -0.747 . . . . 74.0 111.193 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.79 155.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 N-CA-C 114.64 1.348 . . . . 74.439999999999998 114.64 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.1 m -66.8 126.84 30.29 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.95 -1.094 . . . . 33.25 112.34 164.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.456 HG12 HG23 ' A' ' 111' ' ' THR . 73.7 mt -112.63 132.78 60.42 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.641 0 C-N-CA 129.239 3.016 . . . . 73.129999999999995 103.675 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 t -114.41 128.69 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 N-CA-C 105.796 -1.928 . . . . 64.040000000000006 105.796 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.59 91.96 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.702 1.371 . . . . 75.420000000000002 114.702 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.14 -37.76 88.46 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 125.409 1.484 . . . . 73.530000000000001 114.593 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -127.5 92.93 41.9 Favored Pre-proline 0 C--N 1.348 0.52 0 CA-C-O 118.332 -0.842 . . . . 75.209999999999994 108.886 -162.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.12 -14.12 37.54 Favored 'Trans proline' 0 C--N 1.33 -0.404 0 C-N-CA 122.649 2.233 . . . . 64.400000000000006 112.609 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.55 -42.7 70.81 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.786 1.234 . . . . 55.340000000000003 110.575 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -44.88 95.74 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 121.272 -0.892 . . . . 70.129999999999995 111.09 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.456 HG23 HG12 ' A' ' 103' ' ' ILE . 76.9 m -55.99 -46.29 78.73 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.72 0.267 . . . . 62.409999999999997 111.72 175.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.32 -48.75 69.31 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.743 -1.223 . . . . 73.519999999999996 113.929 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -44.66 82.63 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 125.388 1.475 . . . . 75.239999999999995 112.102 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.74 -42.01 99.46 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 123.73 0.812 . . . . 73.310000000000002 109.858 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.05 -47.23 83.88 Favored 'General case' 0 CA--C 1.493 -1.219 0 O-C-N 121.569 -0.707 . . . . 74.530000000000001 112.422 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.77 97.55 Favored 'General case' 0 CA--C 1.504 -0.822 0 C-N-CA 124.605 1.162 . . . . 73.530000000000001 110.771 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -71.73 -29.61 64.71 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-O 119.205 -0.426 . . . . 73.239999999999995 110.51 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.78 -46.13 69.53 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 119.943 1.247 . . . . 54.310000000000002 113.365 167.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.9 t80 -54.49 -48.05 72.31 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.06 1.504 . . . . 71.140000000000001 115.06 172.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.647 ' HD2' HD11 ' A' ' 123' ' ' ILE . 11.1 mmmm -63.49 -29.32 70.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 121.754 -0.591 . . . . 71.030000000000001 112.367 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.12 97.94 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 122.658 1.218 . . . . 73.129999999999995 111.78 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.95 -46.17 68.86 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.113 1.153 . . . . 71.040000000000006 114.113 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.818 ' HA ' HD12 ' A' ' 126' ' ' LEU . 23.5 pt -67.01 -22.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 119.117 -2.239 . . . . 71.5 114.719 174.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.97 -39.98 94.04 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.452 1.101 . . . . 64.540000000000006 111.371 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -70.63 -28.81 65.11 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.139 0.975 . . . . 63.140000000000001 113.369 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.3 mt -68.42 152.89 44.77 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 126.947 2.099 . . . . 73.120000000000005 115.275 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.34 0.09 53.16 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.848 1.259 . . . . 62.200000000000003 111.872 -176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.7 p-90 -130.81 155.26 47.0 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.206 -1.405 . . . . 73.299999999999997 107.206 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.78 119.54 41.0 Favored Pre-proline 0 N--CA 1.443 -0.779 0 CA-C-O 118.49 -0.767 . . . . 71.310000000000002 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.77 152.15 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.513 2.142 . . . . 73.450000000000003 109.345 156.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.0 p -89.8 169.76 10.99 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 107.039 -1.467 . . . . 64.230000000000004 107.039 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.41 -24.12 67.7 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.355 -1.466 . . . . 73.25 113.478 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 119.922 -1.736 . . . . 74.219999999999999 112.381 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.94 -43.03 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 C-N-CA 126.099 1.76 . . . . 73.129999999999995 113.553 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.45 -47.64 81.02 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.539 1.063 . . . . 72.349999999999994 112.581 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -74.2 -35.91 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 121.504 -0.748 . . . . 71.340000000000003 110.047 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.19 99.71 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-O 119.018 -0.879 . . . . 72.25 114.022 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.435 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.3 mt-10 -65.12 -37.4 87.32 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.517 1.658 . . . . 74.120000000000005 113.661 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.0 mt -62.04 -51.33 68.41 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 113.655 0.983 . . . . 63.509999999999998 113.655 171.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 56' ' ' ALA . 37.4 mt -69.39 -40.64 77.25 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 114.498 -1.228 . . . . 73.400000000000006 111.829 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.43 -41.72 94.57 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.183 -1.573 . . . . 61.329999999999998 113.554 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -96.7 32.82 1.97 Allowed 'General case' 0 C--N 1.352 0.675 0 O-C-N 121.304 -0.872 . . . . 72.010000000000005 111.374 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.261 1.681 0 O-C-N 120.006 -1.684 . . . . 61.310000000000002 114.414 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.515 2.815 0 N-CA-C 114.81 1.411 . . . . 73.420000000000002 114.81 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -66.92 -45.17 78.73 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.623 -1.298 . . . . 74.299999999999997 113.408 -172.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -80.62 -2.08 44.99 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-O 122.746 1.26 . . . . 70.420000000000002 114.279 -172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.39 -46.21 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 C-N-CA 125.287 1.435 . . . . 72.319999999999993 110.91 168.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.91 -42.09 90.62 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 113.884 1.068 . . . . 73.25 113.884 -146.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -140.31 142.78 35.62 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 104.428 -2.434 . . . . 73.329999999999998 104.428 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.19 145.58 55.62 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 122.007 0.908 . . . . 75.040000000000006 113.115 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -75.38 135.75 40.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 122.046 0.927 . . . . 73.030000000000001 113.116 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.7 p -124.36 159.71 29.75 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.971 -2.233 . . . . 72.140000000000001 104.971 165.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.4 mt -100.6 104.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 N-CA-C 106.423 -1.695 . . . . 52.109999999999999 106.423 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -146.58 156.19 43.04 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 104.871 -2.27 . . . . 61.32 104.871 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -84.15 50.01 1.76 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-O 123.285 1.517 . . . . 63.219999999999999 111.636 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.22 -41.51 96.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 117.905 2.557 . . . . 75.219999999999999 117.905 -169.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -61.84 -46.72 92.72 Favored Pre-proline 0 C--N 1.353 0.728 0 CA-C-O 116.418 -1.753 . . . . 63.229999999999997 113.914 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.41 -27.88 18.7 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 CA-C-N 124.969 2.81 . . . . 65.519999999999996 113.434 167.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 ttm -68.55 -44.24 74.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 120.255 1.389 . . . . 74.530000000000001 111.76 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -70.24 -33.99 72.31 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.13 0.972 . . . . 71.519999999999996 111.618 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.87 86.0 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 123.879 0.872 . . . . 65.420000000000002 111.773 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -71.68 -1.76 14.91 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 125.207 1.403 . . . . 73.109999999999999 114.561 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.09 -48.25 7.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 119.811 -1.806 . . . . 65.329999999999998 110.01 165.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -81.61 -35.22 30.33 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 119.636 -1.915 . . . . 75.239999999999995 114.593 -173.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.53 -38.16 77.18 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 128.325 2.65 . . . . 70.430000000000007 110.49 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.47 -9.19 51.0 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.224 -1.353 . . . . 64.510000000000005 109.187 -173.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.5 46.01 15.6 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.651 1.98 . . . . 73.230000000000004 112.924 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.82 159.11 41.96 Favored Pre-proline 0 C--N 1.351 0.654 0 C-N-CA 124.728 1.211 . . . . 63.409999999999997 110.078 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.0 Cg_endo -74.7 166.41 29.4 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.635 2.223 . . . . 72.510000000000005 114.214 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.66 -29.61 70.82 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 129.003 2.921 . . . . 75.239999999999995 109.628 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.73 73.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 126.887 2.075 . . . . 51.530000000000001 114.386 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.6 m -97.41 -23.38 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 O-C-N 119.958 -1.714 . . . . 71.530000000000001 111.973 -172.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -31.35 70.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.201 -1.562 . . . . 73.129999999999995 110.621 171.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.69 -17.06 59.34 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 121.093 -1.004 . . . . 72.430000000000007 112.35 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -59.66 -37.68 79.39 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 121.321 -0.862 . . . . 53.409999999999997 112.925 169.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 52' ' ' ILE . 33.0 t80 -59.59 -40.72 88.36 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 125.276 1.43 . . . . 72.120000000000005 114.55 169.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.73 -41.22 88.26 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 119.731 -1.856 . . . . 65.5 113.655 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.15 -24.52 67.42 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 126.805 2.042 . . . . 71.5 114.162 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.64 -40.85 76.13 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 127.451 2.3 . . . . 73.310000000000002 112.409 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -76.82 -12.42 59.97 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.548 -0.72 . . . . 74.510000000000005 111.842 -175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -63.87 127.03 29.59 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 122.054 0.931 . . . . 54.43 111.952 176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.21 132.76 42.47 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.188 -1.57 . . . . 74.299999999999997 110.599 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.69 -9.61 68.7 Favored Glycine 0 C--N 1.351 1.386 0 CA-C-O 119.397 -0.668 . . . . 72.420000000000002 113.25 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -95.56 138.74 32.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.258 1.529 . . . . 74.519999999999996 112.315 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -113.78 112.32 23.22 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.106 -1.072 . . . . 70.109999999999999 108.106 172.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.6 mm -98.97 122.59 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.274 -1.01 . . . . 72.239999999999995 108.274 171.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -117.93 -1.9 11.4 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.442 1.497 . . . . 74.0 111.521 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -85.39 129.92 34.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.31 -0.869 . . . . 53.409999999999997 111.288 -165.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -59.98 -31.4 69.86 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 126.394 1.877 . . . . 64.450000000000003 114.443 -175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.7 mt-10 -62.2 -29.72 70.58 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 115.055 1.502 . . . . 72.450000000000003 115.055 169.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.49 91.08 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.481 0.582 . . . . 52.229999999999997 111.401 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -37.98 94.29 Favored Glycine 0 CA--C 1.489 -1.563 0 O-C-N 120.062 -1.649 . . . . 43.350000000000001 113.083 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.4 m -63.55 -41.0 98.45 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.448 1.099 . . . . 64.030000000000001 111.044 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -67.65 -42.68 86.75 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 121.338 -0.851 . . . . 73.400000000000006 111.594 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.7 mt -59.86 -46.35 93.9 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 120.961 -1.087 . . . . 64.040000000000006 112.561 -174.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.3 pp -68.31 -28.32 67.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.38 1.252 . . . . 64.239999999999995 114.38 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.8 t -62.75 -43.06 99.77 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.212 1.405 . . . . 71.239999999999995 112.326 174.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.8 -35.68 77.08 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 121.144 1.793 . . . . 52.409999999999997 113.326 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.66 -39.09 70.46 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 115.863 1.801 . . . . 74.209999999999994 115.863 -176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -70.22 -41.79 73.13 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 122.571 1.177 . . . . 74.040000000000006 111.57 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -92.07 49.47 1.53 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.28 1.432 . . . . 75.010000000000005 113.072 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.1 mt -93.26 -17.73 23.3 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 123.593 1.664 . . . . 64.109999999999999 109.699 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -31.74 72.94 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 127.283 2.233 . . . . 65.200000000000003 109.743 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -28.06 66.92 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 129.727 3.211 . . . . 63.240000000000002 111.8 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 68' ' ' LEU . 75.1 mt -69.74 158.29 35.7 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 126.991 2.117 . . . . 71.430000000000007 112.524 -173.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.97 130.25 40.53 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.212 -0.904 . . . . 71.329999999999998 111.102 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -60.77 -26.98 67.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 125.192 1.397 . . . . 72.209999999999994 114.016 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -57.02 -32.43 66.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 125.65 1.58 . . . . 71.310000000000002 114.212 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 ptp -82.16 -11.46 58.71 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.136 1.334 . . . . 75.329999999999998 111.728 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.2 m120 63.94 28.01 14.43 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 128.898 2.879 . . . . 62.32 115.37 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -80.5 123.14 27.83 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 119.736 -1.853 . . . . 44.43 110.038 178.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -141.02 150.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 106.767 -1.568 . . . . 71.299999999999997 106.767 163.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.52 133.52 51.42 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 124.903 1.281 . . . . 71.129999999999995 111.836 -173.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.94 -12.68 63.21 Favored Glycine 0 C--N 1.345 1.076 0 C-N-CA 123.641 0.639 . . . . 62.310000000000002 114.212 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -102.87 22.92 12.97 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.625 1.57 . . . . 72.109999999999999 110.407 -169.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -43.35 81.37 Favored 'General case' 0 CA--C 1.49 -1.361 0 C-N-CA 125.503 1.521 . . . . 73.120000000000005 114.045 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 91.3 mtp -61.16 -40.58 94.41 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 119.343 0.974 . . . . 71.409999999999997 112.516 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -70.95 -44.77 65.39 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.214 0.82 . . . . 71.400000000000006 113.214 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.51 -47.64 85.26 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.98 2.112 . . . . 75.010000000000005 113.143 176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.58 91.12 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 124.138 0.975 . . . . 71.129999999999995 112.97 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.47 -35.67 81.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.807 1.243 . . . . 73.0 114.021 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -61.82 -28.45 69.48 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 120.745 -1.222 . . . . 74.230000000000004 112.108 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.7 15.31 20.41 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.247 1.819 . . . . 73.430000000000007 114.418 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.42 -2.72 63.14 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 121.218 -0.926 . . . . 74.519999999999996 113.885 165.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.79 140.57 58.42 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 118.294 1.047 . . . . 74.420000000000002 111.929 165.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -81.33 170.44 16.01 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.342 -2.099 . . . . 61.039999999999999 108.628 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -65.01 -34.88 79.5 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.563 -1.336 . . . . 71.010000000000005 112.694 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.06 83.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 126.479 1.912 . . . . 71.239999999999995 112.335 173.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.6 -38.9 84.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.943 1.297 . . . . 74.140000000000001 112.267 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.618 0.97 . . . . 62.109999999999999 113.618 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -68.34 -29.54 68.3 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.585 -1.322 . . . . 73.200000000000003 111.767 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -60.6 -42.97 97.85 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.267 1.58 . . . . 75.150000000000006 115.267 170.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.4 mt -63.46 -42.24 98.61 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.888 2.131 . . . . 73.329999999999998 112.022 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.71 -39.93 95.56 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.017 -1.052 . . . . 64.120000000000005 112.118 173.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.726 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 95.4 m-20 -67.02 -41.07 87.26 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 116.793 2.146 . . . . 72.120000000000005 116.793 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -58.69 -43.37 87.49 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 CA-C-N 120.016 1.28 . . . . 74.219999999999999 109.438 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -55.6 -51.64 66.47 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 112.546 0.572 . . . . 55.549999999999997 112.546 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.726 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 26.3 p80 -76.03 -26.17 56.38 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 120.035 -1.666 . . . . 70.209999999999994 110.734 -170.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 t -65.49 -40.86 93.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 112.353 -2.203 . . . . 64.430000000000007 113.045 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.499 ' HA ' HG22 ' A' ' 100' ' ' VAL . 19.7 m -69.89 -35.79 74.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.885 1.439 . . . . 22.219999999999999 114.885 172.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.63 -28.91 68.91 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.393 1.477 . . . . 75.329999999999998 112.888 -175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -85.3 -19.34 31.68 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.677 0.791 . . . . 43.539999999999999 112.001 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -102.58 -31.7 3.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.202 0 O-C-N 121.33 -0.856 . . . . 71.299999999999997 111.386 -176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -70.6 154.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.351 1.241 . . . . 72.530000000000001 114.351 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.6 m -66.42 126.01 27.48 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.79 -1.193 . . . . 64.439999999999998 112.146 164.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.412 HG12 HG23 ' A' ' 111' ' ' THR . 71.9 mt -110.26 132.28 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.663 0 C-N-CA 128.845 2.858 . . . . 72.010000000000005 103.454 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.2 t -112.88 128.41 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 106.269 -1.752 . . . . 60.229999999999997 106.269 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.07 90.39 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.376 1.25 . . . . 75.329999999999998 114.376 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -65.04 -38.74 91.86 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.456 1.502 . . . . 72.120000000000005 114.452 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.23 91.8 40.87 Favored Pre-proline 0 C--N 1.35 0.599 0 CA-C-O 118.054 -0.974 . . . . 75.519999999999996 109.728 -160.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.54 -13.46 40.0 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 122.898 2.399 . . . . 65.129999999999995 113.262 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.3 m -68.56 -43.66 76.14 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.272 1.029 . . . . 64.519999999999996 110.793 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.25 1.02 . . . . 73.329999999999998 110.896 173.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.412 HG23 HG12 ' A' ' 103' ' ' ILE . 65.3 m -56.39 -46.21 80.24 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.515 0.326 . . . . 73.450000000000003 111.428 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.8 tpp -65.7 -49.19 69.42 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.69 -1.256 . . . . 71.439999999999998 114.324 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -45.21 82.5 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.093 1.357 . . . . 71.329999999999998 112.19 -177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.05 -41.35 99.46 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.022 0.929 . . . . 74.299999999999997 109.741 177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.36 -46.75 85.12 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.27 -0.894 . . . . 73.0 112.506 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.84 99.89 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 125.051 1.34 . . . . 62.530000000000001 110.707 -175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.2 ptm -71.95 -30.35 65.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 119.141 -0.457 . . . . 54.210000000000001 110.794 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.7 t -68.75 -47.26 66.71 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-N 120.128 1.331 . . . . 54.119999999999997 113.566 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.81 -47.97 76.23 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 115.3 1.592 . . . . 70.109999999999999 115.3 174.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 123' ' ' ILE . 26.6 ttpp -61.73 -32.9 73.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.428 1.091 . . . . 70.129999999999995 111.496 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.66 98.29 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 122.339 1.066 . . . . 73.109999999999999 112.022 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.96 -45.84 73.08 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 125.475 1.51 . . . . 63.420000000000002 113.876 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.7 pt -64.78 -23.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.169 -2.207 . . . . 74.230000000000004 114.564 173.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.96 -35.66 81.88 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 121.249 -0.907 . . . . 64.400000000000006 111.504 171.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -75.41 -25.17 57.33 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.34 -1.475 . . . . 72.430000000000007 112.541 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.91 154.07 42.69 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.446 2.299 . . . . 55.210000000000001 115.104 -171.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 0.44 50.19 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.496 1.119 . . . . 62.530000000000001 111.688 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -131.31 153.78 49.22 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.297 -1.742 . . . . 73.420000000000002 106.297 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.29 118.5 37.6 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-O 118.473 -0.775 . . . . 74.120000000000005 111.219 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -69.92 148.16 63.44 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.412 2.075 . . . . 75.319999999999993 109.288 159.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.1 t -81.18 165.71 21.29 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.655 -0.869 . . . . 65.099999999999994 108.655 164.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.87 -32.87 73.26 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.784 -1.197 . . . . 63.109999999999999 111.394 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.653 0.781 . . . . 60.509999999999998 112.294 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.08 -44.76 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.578 1.951 . . . . 73.400000000000006 114.442 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.27 82.61 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 113.328 0.862 . . . . 75.25 113.328 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.33 -28.72 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.062 0 O-C-N 120.946 -1.096 . . . . 53.229999999999997 108.269 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.93 98.58 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 121.526 -0.734 . . . . 54.240000000000002 114.027 -172.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.4 mt-10 -65.33 -35.32 80.63 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.829 1.315 . . . . 60.210000000000001 113.181 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.9 mt -64.0 -54.86 27.69 Favored 'General case' 0 CA--C 1.476 -1.897 0 C-N-CA 124.163 0.985 . . . . 73.120000000000005 111.822 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 56' ' ' ALA . 57.6 mt -67.19 -40.07 86.48 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.279 -0.873 . . . . 74.019999999999996 112.519 -176.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.39 87.46 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.389 -1.444 . . . . 74.530000000000001 114.736 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.18 -25.34 42.79 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.788 -1.195 . . . . 71.230000000000004 111.865 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.262 1.733 0 N-CA-C 115.613 1.709 . . . . 71.450000000000003 115.613 -175.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.516 2.859 0 N-CA-C 117.269 2.322 . . . . 72.230000000000004 117.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -72.58 -34.7 67.61 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.717 -1.239 . . . . 72.340000000000003 112.988 -173.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.13 -1.24 52.39 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.372 1.082 . . . . 73.409999999999997 113.492 -177.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.3 t -69.48 -45.64 77.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-N 114.43 -1.259 . . . . 75.219999999999999 110.296 169.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.4 mtp -67.58 -41.67 83.76 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 113.938 1.088 . . . . 75.019999999999996 113.938 -147.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -93.66 125.1 38.08 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.396 0.678 . . . . 71.319999999999993 110.208 -174.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.91 145.48 48.47 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 121.325 -0.86 . . . . 55.299999999999997 112.24 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -130.82 148.93 52.65 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.333 -0.988 . . . . 63.43 108.333 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.1 p -115.44 150.12 36.95 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 108.309 -0.997 . . . . 74.200000000000003 108.309 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.2 mt -111.06 117.11 54.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.311 -1.366 . . . . 75.129999999999995 107.311 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -66.1 -40.52 90.82 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.665 1.186 . . . . 74.150000000000006 113.442 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -82.81 7.34 15.42 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.437 1.095 . . . . 72.340000000000003 113.441 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.06 -18.54 61.31 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 125.585 1.554 . . . . 40.210000000000001 114.901 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.06 -46.03 96.29 Favored Pre-proline 0 N--CA 1.446 -0.659 0 CA-C-O 116.259 -1.829 . . . . 61.549999999999997 114.316 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.41 -27.79 27.73 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 CA-C-N 125.354 2.948 . . . . 73.120000000000005 113.211 168.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mtp -68.5 -43.96 75.74 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 74.230000000000004 112.268 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.12 -31.84 66.4 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 121.466 -0.771 . . . . 74.230000000000004 112.054 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.9 90.93 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 121.203 -0.936 . . . . 43.119999999999997 112.022 173.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.63 -0.82 14.02 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 125.142 1.377 . . . . 41.009999999999998 114.269 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -48.34 7.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 119.977 -1.702 . . . . 71.230000000000004 109.674 166.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -79.82 -36.87 36.24 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.952 -1.718 . . . . 72.200000000000003 114.544 -174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.24 -37.74 78.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 127.807 2.443 . . . . 72.319999999999993 110.368 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 -9.93 49.11 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 114.14 -1.391 . . . . 73.150000000000006 109.189 -173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 58.17 47.09 14.93 Favored 'General case' 0 C--N 1.361 1.1 0 C-N-CA 126.807 2.043 . . . . 52.32 113.304 -174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.63 158.52 45.09 Favored Pre-proline 0 C--N 1.347 0.496 0 C-N-CA 124.415 1.086 . . . . 64.319999999999993 109.553 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -73.78 166.27 30.14 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.616 2.211 . . . . 64.25 113.186 175.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -63.29 -29.99 71.21 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 128.013 2.525 . . . . 74.230000000000004 109.597 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.51 70.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 127.227 2.211 . . . . 71.230000000000004 113.265 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 26' ' ' PRO . 10.8 m -97.38 -23.34 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 O-C-N 120.235 -1.541 . . . . 63.32 111.844 -173.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.3 ptm -66.61 -33.3 75.36 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 120.334 -1.479 . . . . 72.430000000000007 112.082 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.41 -17.92 59.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.8 -1.188 . . . . 63.100000000000001 112.991 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.51 -37.4 78.23 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 121.162 -0.962 . . . . 72.409999999999997 112.958 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.412 ' CD2' HG12 ' A' ' 52' ' ' ILE . 24.7 t80 -59.56 -41.76 90.9 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.393 1.257 . . . . 72.349999999999994 114.393 169.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.26 -40.33 86.22 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 119.775 -1.828 . . . . 71.329999999999998 113.632 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -64.52 -23.19 67.19 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 126.806 2.043 . . . . 73.120000000000005 114.304 172.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -55.32 -40.29 70.97 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 127.081 2.152 . . . . 75.019999999999996 112.16 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -82.82 -8.95 59.54 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.808 0.843 . . . . 53.219999999999999 110.714 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -66.85 138.28 57.21 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.316 1.046 . . . . 65.549999999999997 112.112 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.08 135.97 41.18 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.139 -1.6 . . . . 65.219999999999999 110.994 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.92 -13.11 68.44 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-O 119.392 -0.671 . . . . 74.230000000000004 113.098 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -99.57 143.1 30.21 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 124.685 2.183 . . . . 74.349999999999994 116.498 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -122.92 133.79 54.38 Favored 'General case' 0 N--CA 1.424 -1.767 0 CA-C-N 111.62 -2.536 . . . . 72.120000000000005 105.412 164.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.5 mm -113.74 125.02 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 C-N-CA 128.311 2.644 . . . . 72.140000000000001 107.449 172.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -126.38 11.91 7.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 123.621 0.768 . . . . 73.409999999999997 110.915 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -87.88 131.32 34.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.786 1.235 . . . . 71.120000000000005 111.253 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.9 -32.79 71.07 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.508 1.923 . . . . 73.310000000000002 113.592 -174.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.2 mt-10 -62.35 -30.48 71.21 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 115.943 1.831 . . . . 70.310000000000002 115.943 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.28 90.35 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.741 0.7 . . . . 75.209999999999994 111.493 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.39 -38.98 96.55 Favored Glycine 0 CA--C 1.488 -1.641 0 O-C-N 120.397 -1.439 . . . . 74.310000000000002 113.262 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.24 -40.94 98.87 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.279 1.032 . . . . 64.439999999999998 111.189 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.16 -42.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.189 -0.944 . . . . 73.129999999999995 111.968 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 33' ' ' PHE . 51.9 mt -60.08 -46.05 94.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 O-C-N 120.831 -1.168 . . . . 74.439999999999998 112.151 -173.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.3 pp -67.88 -28.46 67.53 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.263 1.209 . . . . 72.219999999999999 114.263 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.519 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.6 t -62.91 -42.7 99.88 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.626 1.57 . . . . 54.520000000000003 112.094 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -37.34 81.42 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 121.021 1.737 . . . . 71.420000000000002 113.809 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.568 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.6 -39.05 70.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 114.738 1.385 . . . . 75.200000000000003 114.738 -175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.95 -37.7 72.82 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 122.252 1.025 . . . . 51.119999999999997 112.927 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -98.04 33.58 2.11 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.84 1.656 . . . . 74.040000000000006 112.752 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.5 mt -78.28 -29.49 47.95 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-O 123.377 1.561 . . . . 62.539999999999999 110.735 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.67 -14.72 54.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.037 1.335 . . . . 63.109999999999999 112.992 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.59 -27.31 58.48 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.162 1.785 . . . . 73.030000000000001 111.328 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.419 HD12 HD13 ' A' ' 68' ' ' LEU . 56.3 mt -68.42 159.97 30.56 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 127.865 2.466 . . . . 75.030000000000001 111.443 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -67.89 133.01 48.4 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.988 -1.07 . . . . 72.340000000000003 112.145 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -61.54 -26.64 68.07 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.59 -1.318 . . . . 65.150000000000006 113.828 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.71 -34.79 67.81 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.038 1.335 . . . . 73.230000000000004 113.464 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.25 -11.12 58.11 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.717 -1.239 . . . . 63.130000000000003 112.244 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 61.36 27.82 17.39 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.097 2.559 . . . . 74.010000000000005 116.534 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.419 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.61 121.55 26.48 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.976 -1.703 . . . . 75.219999999999999 111.113 178.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.0 151.26 45.33 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.495 -0.928 . . . . 72.129999999999995 108.495 166.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.82 129.43 39.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 122.498 1.142 . . . . 72.420000000000002 113.458 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.64 -8.59 76.72 Favored Glycine 0 C--N 1.348 1.208 0 C-N-CA 125.344 1.45 . . . . 75.209999999999994 115.28 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.8 33.13 4.96 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.964 1.382 . . . . 65.439999999999998 110.579 -169.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.0 89.86 Favored 'General case' 0 CA--C 1.495 -1.172 0 O-C-N 120.902 -1.124 . . . . 63.009999999999998 113.877 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 85.3 mmm -60.37 -41.11 93.04 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.442 1.019 . . . . 74.109999999999999 113.077 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.72 -44.97 63.2 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 112.699 0.629 . . . . 74.329999999999998 112.699 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.69 -48.5 81.53 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 126.222 1.809 . . . . 61.030000000000001 113.306 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.38 97.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 120.991 -1.068 . . . . 72.5 113.094 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -64.12 -35.2 79.99 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 113.918 1.081 . . . . 72.109999999999999 113.918 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.05 -30.45 70.33 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.773 -1.204 . . . . 72.540000000000006 112.564 170.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -93.67 14.14 20.0 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 125.889 1.676 . . . . 75.349999999999994 114.64 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.36 -1.51 62.41 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.037 -1.04 . . . . 71.230000000000004 114.075 167.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 140.43 57.45 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 118.414 1.107 . . . . 53.399999999999999 111.37 164.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -81.53 170.12 16.28 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 119.419 -2.051 . . . . 75.439999999999998 108.125 169.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.68 -34.37 78.14 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.595 -1.316 . . . . 75.209999999999994 112.77 -173.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.65 83.95 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.457 1.903 . . . . 63.030000000000001 112.248 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -71.07 -36.03 72.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 O-C-N 121.213 -0.929 . . . . 62.109999999999999 112.458 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.828 0.823 . . . . 62.020000000000003 112.867 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.85 -27.61 64.98 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.831 -1.168 . . . . 74.200000000000003 112.631 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.62 -42.67 97.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.924 1.453 . . . . 64.230000000000004 114.924 169.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 135' ' ' ALA . 45.0 mt -63.57 -41.11 98.4 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.546 1.976 . . . . 64.310000000000002 112.654 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.28 -40.43 95.94 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.312 -0.867 . . . . 65.450000000000003 112.101 172.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.06 -42.36 97.04 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 120.377 -1.452 . . . . 71.540000000000006 112.588 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.33 -44.92 93.46 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 124.351 1.06 . . . . 74.140000000000001 110.333 175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.3 -54.84 42.18 Favored 'General case' 0 CA--C 1.495 -1.135 0 O-C-N 121.86 -0.525 . . . . 75.209999999999994 111.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -70.99 -25.98 62.94 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.642 -1.286 . . . . 71.340000000000003 111.938 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -65.74 -40.63 92.34 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.513 1.149 . . . . 51.329999999999998 112.906 171.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 21.2 m -68.65 -35.57 77.44 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 114.299 1.222 . . . . 40.539999999999999 114.299 173.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.36 -29.23 68.77 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.995 1.318 . . . . 71.140000000000001 113.095 -175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -86.61 -18.74 30.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 122.935 0.494 . . . . 72.319999999999993 112.133 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -101.5 -31.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 121.442 -0.786 . . . . 62.119999999999997 111.258 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -70.95 154.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 N-CA-C 114.443 1.275 . . . . 71.340000000000003 114.443 175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.2 m -66.93 126.66 29.81 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.929 -1.107 . . . . 74.5 112.254 165.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.425 HG12 HG23 ' A' ' 111' ' ' THR . 71.5 mt -110.5 132.54 58.6 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.553 0 C-N-CA 129.149 2.98 . . . . 71.200000000000003 103.822 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 t -114.25 127.55 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.512 0 N-CA-C 106.522 -1.658 . . . . 72.420000000000002 106.522 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.28 95.55 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 114.752 1.39 . . . . 75.230000000000004 114.752 173.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.42 -39.37 94.31 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.322 1.849 . . . . 74.349999999999994 112.718 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -131.36 96.61 21.18 Favored Pre-proline 0 C--N 1.349 0.544 0 CA-C-O 118.112 -0.947 . . . . 71.340000000000003 110.329 -160.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.08 -13.67 38.75 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 CA-C-N 123.135 2.155 . . . . 75.310000000000002 112.87 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -69.13 -44.67 71.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.703 1.201 . . . . 72.420000000000002 110.754 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -44.98 95.72 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.098 0.959 . . . . 73.040000000000006 111.368 172.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 103' ' ' ILE . 69.6 m -56.44 -46.56 80.23 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 117.834 0.288 . . . . 52.219999999999999 111.576 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.98 -48.74 70.26 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.758 -1.214 . . . . 72.219999999999999 113.666 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -45.18 78.73 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.168 1.387 . . . . 53.25 112.87 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.46 -41.44 98.77 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.162 0.985 . . . . 61.350000000000001 109.298 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.02 -46.9 85.4 Favored 'General case' 0 CA--C 1.495 -1.159 0 O-C-N 121.423 -0.798 . . . . 62.310000000000002 112.367 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.24 98.71 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.717 1.207 . . . . 53.119999999999997 110.946 -174.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 26.4 ptm -71.85 -29.02 63.95 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 119.093 -0.479 . . . . 63.530000000000001 111.151 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.8 -46.56 65.43 Favored 'General case' 0 C--N 1.37 1.472 0 CA-C-N 120.165 1.348 . . . . 71.549999999999997 113.684 166.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.1 t80 -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.037 1.495 . . . . 75.109999999999999 115.037 174.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HA ' HG12 ' A' ' 123' ' ' ILE . 57.9 tptt -63.41 -29.67 70.93 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 123.577 0.751 . . . . 44.100000000000001 112.338 176.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.02 99.74 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.479 1.133 . . . . 34.329999999999998 111.974 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.39 -45.99 71.2 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 114.645 1.35 . . . . 75.109999999999999 114.645 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.807 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.8 pt -67.87 -20.04 25.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 118.639 -2.538 . . . . 62.450000000000003 115.501 172.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.18 -40.44 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.147 0.979 . . . . 61.119999999999997 111.517 168.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.358 0.961 0 N-CA-C 113.491 0.922 . . . . 72.200000000000003 113.491 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.5 mt -68.76 153.01 44.56 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.922 2.089 . . . . 63.049999999999997 115.504 -172.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -85.33 -0.31 54.35 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 124.979 1.312 . . . . 72.340000000000003 111.914 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -130.57 155.09 47.11 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 106.797 -1.557 . . . . 72.140000000000001 106.797 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.43 119.13 42.5 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-O 118.544 -0.741 . . . . 73.109999999999999 111.309 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -70.1 151.2 67.05 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.457 2.104 . . . . 70.310000000000002 109.028 155.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -88.71 168.92 12.1 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 106.832 -1.544 . . . . 62.450000000000003 106.832 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.63 -24.42 67.79 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.275 -1.516 . . . . 75.450000000000003 113.663 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.8 -41.35 97.63 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.508 -1.37 . . . . 75.030000000000001 112.125 172.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.05 -43.13 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 C-N-CA 126.349 1.86 . . . . 64.530000000000001 113.301 -171.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.86 80.38 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 119.602 1.092 . . . . 71.409999999999997 112.523 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.34 -32.5 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 O-C-N 121.503 -0.748 . . . . 73.439999999999998 109.307 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.72 99.75 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 119.161 -0.8 . . . . 72.540000000000006 113.88 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.452 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.9 mt-10 -64.29 -37.54 87.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.361 1.581 . . . . 62.509999999999998 113.797 173.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.1 mt -61.58 -54.55 41.55 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 112.968 0.729 . . . . 74.150000000000006 112.968 171.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 56' ' ' ALA . 69.6 mt -67.48 -38.68 84.77 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.233 -0.894 . . . . 53.450000000000003 112.457 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.15 96.3 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.844 -1.16 . . . . 75.420000000000002 113.75 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.79 -36.5 78.35 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.135 -0.978 . . . . 65.510000000000005 111.622 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.258 1.545 0 N-CA-C 114.959 1.466 . . . . 73.340000000000003 114.959 -176.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.515 2.797 0 N-CA-C 114.684 1.364 . . . . 71.0 114.684 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -64.51 -35.85 82.3 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 114.69 1.367 . . . . 73.040000000000006 114.69 -172.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -87.56 2.32 51.11 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 124.171 0.989 . . . . 64.040000000000006 113.559 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -107.5 -60.28 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 107.417 -1.327 . . . . 73.310000000000002 107.417 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.5 ptp 45.75 40.48 6.39 Favored 'General case' 0 N--CA 1.432 -1.335 1 C-N-CA 133.41 4.684 . . . . 65.310000000000002 115.541 -172.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -139.42 139.67 37.16 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 106.881 -1.526 . . . . 61.450000000000003 106.881 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -65.65 136.34 56.19 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 124.481 1.113 . . . . 75.409999999999997 112.181 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.5 mmm -128.87 148.58 50.91 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.207 -1.034 . . . . 64.510000000000005 108.207 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -144.73 171.87 13.8 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 106.127 -1.805 . . . . 74.109999999999999 106.127 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 tp -65.56 134.69 29.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 124.564 1.146 . . . . 63.219999999999999 111.816 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -158.72 176.93 11.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 120.622 -1.299 . . . . 71.299999999999997 108.95 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -122.06 21.48 10.52 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.896 1.278 . . . . 63.32 110.462 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.57 42.33 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 115.716 1.747 . . . . 51.030000000000001 115.716 -168.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.18 -46.78 95.86 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.736 -1.602 . . . . 75.420000000000002 113.605 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.47 -29.22 31.33 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 CA-C-N 124.638 2.692 . . . . 74.519999999999996 113.935 168.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.1 ttt -70.1 -43.22 71.51 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.823 1.192 . . . . 72.340000000000003 112.164 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.49 -31.93 69.23 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 121.098 -1.001 . . . . 73.030000000000001 111.664 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.94 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.636 0.774 . . . . 23.23 112.983 170.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 95.4 m -60.26 -44.96 94.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.212 0.915 . . . . 71.430000000000007 110.32 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -43.01 93.73 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 119.777 -1.827 . . . . 71.329999999999998 111.904 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 114.762 1.393 . . . . 75.099999999999994 114.762 175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.67 -39.6 88.99 Favored 'General case' 0 CA--C 1.487 -1.449 0 C-N-CA 126.759 2.023 . . . . 72.239999999999995 110.543 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 mt -83.74 -7.06 59.56 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.797 -1.092 . . . . 73.439999999999998 110.233 -177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.54 45.91 21.48 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.492 2.317 . . . . 71.030000000000001 113.479 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.73 158.28 44.04 Favored Pre-proline 0 C--N 1.35 0.618 0 C-N-CA 124.126 0.971 . . . . 54.32 109.375 -174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -74.37 166.69 28.89 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.503 2.135 . . . . 71.349999999999994 113.288 175.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.5 -30.68 71.45 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 128.421 2.689 . . . . 75.420000000000002 109.446 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.91 65.31 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 128.056 2.542 . . . . 64.299999999999997 113.485 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.2 m -101.65 -23.71 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.244 -1.382 . . . . 43.450000000000003 112.238 -172.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -66.83 -32.38 73.62 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.172 -1.58 . . . . 71.109999999999999 111.604 166.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.06 -21.89 61.45 Favored 'General case' 0 N--CA 1.44 -0.926 0 O-C-N 121.38 -0.825 . . . . 71.120000000000005 112.915 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.08 -37.76 83.83 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.055 -1.028 . . . . 75.319999999999993 112.781 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' HG12 ' A' ' 52' ' ' ILE . 18.8 t80 -60.91 -44.09 97.65 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 114.28 1.215 . . . . 75.400000000000006 114.28 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.4 p90 -71.42 -34.41 70.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 119.604 -1.935 . . . . 74.200000000000003 116.018 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -63.15 -20.96 65.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.639 1.576 . . . . 64.120000000000005 114.729 170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -57.74 -41.03 81.02 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.059 2.144 . . . . 74.219999999999999 111.678 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -80.78 -10.43 59.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.995 0.918 . . . . 72.439999999999998 111.963 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -64.97 132.9 50.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.733 0.813 . . . . 54.509999999999998 111.739 177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.06 130.6 43.66 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.225 -1.547 . . . . 75.239999999999995 111.36 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.05 -3.8 82.75 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 121.574 -0.704 . . . . 54.140000000000001 114.416 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.07 136.22 36.81 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.418 1.609 . . . . 74.409999999999997 111.88 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -113.72 113.78 25.46 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.396 -0.965 . . . . 74.319999999999993 108.396 170.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.1 mm -96.87 125.47 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.437 1.095 . . . . 62.450000000000003 108.337 170.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p -119.64 -4.25 10.29 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.802 1.241 . . . . 74.400000000000006 111.971 -174.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -84.84 133.78 34.31 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 124.003 0.921 . . . . 52.299999999999997 112.545 -163.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.01 -32.78 71.19 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.201 1.8 . . . . 72.540000000000006 113.464 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.1 mt-10 -62.96 -29.97 71.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 115.557 1.688 . . . . 73.239999999999995 115.557 170.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.08 89.48 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 118.704 0.684 . . . . 62.200000000000003 111.461 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.51 95.76 Favored Glycine 0 CA--C 1.49 -1.487 0 O-C-N 120.414 -1.429 . . . . 55.030000000000001 113.148 176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.7 m -63.7 -41.5 98.11 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.13 0.972 . . . . 71.349999999999994 111.049 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.7 p -68.67 -42.04 82.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 121.21 -0.931 . . . . 53.310000000000002 111.553 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.5 mt -59.31 -45.34 93.3 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 O-C-N 120.396 -1.44 . . . . 60.409999999999997 112.7 -175.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.6 -28.92 68.16 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 114.073 1.138 . . . . 74.319999999999993 114.073 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.98 -43.39 98.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.335 1.454 . . . . 74.209999999999994 112.094 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.58 -38.05 86.13 Favored 'General case' 0 C--N 1.368 1.37 0 CA-C-N 121.104 1.775 . . . . 74.010000000000005 113.51 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.11 -36.01 72.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 115.855 1.798 . . . . 24.129999999999999 115.855 -174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.22 -42.59 72.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.864 0.84 . . . . 73.420000000000002 112.867 166.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.95 44.5 1.2 Allowed 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.233 1.413 . . . . 71.430000000000007 113.383 -169.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 68' ' ' LEU . 86.5 mt -90.43 -14.0 33.74 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 123.661 1.696 . . . . 74.140000000000001 109.31 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.39 -33.71 75.29 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.043 2.537 . . . . 70.0 109.859 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -27.64 66.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.12 2.968 . . . . 74.099999999999994 111.809 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 68' ' ' LEU . 71.2 mt -70.46 159.89 33.41 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.191 2.196 . . . . 74.010000000000005 111.45 -175.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -76.5 141.42 41.27 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.727 -1.233 . . . . 74.340000000000003 109.497 -173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -60.74 -27.9 68.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.261 1.208 . . . . 75.019999999999996 114.261 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.48 -33.01 69.31 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.338 -1.476 . . . . 75.519999999999996 113.622 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.9 ptp -81.79 -12.25 58.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 120.814 -1.179 . . . . 74.230000000000004 112.819 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 62.29 26.42 15.81 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.086 2.555 . . . . 74.450000000000003 116.507 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -82.18 121.57 26.78 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 119.962 -1.712 . . . . 63.310000000000002 110.655 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.29 148.49 41.49 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 106.789 -1.56 . . . . 71.299999999999997 106.789 167.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.9 t60 -66.62 130.18 42.33 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.121 0.968 . . . . 70.400000000000006 110.865 -174.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -11.2 71.95 Favored Glycine 0 C--N 1.345 1.067 0 C-N-CA 124.129 0.871 . . . . 60.130000000000003 114.898 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -103.0 24.51 10.65 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 118.708 1.254 . . . . 70.540000000000006 111.062 -171.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.76 81.73 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 114.657 1.354 . . . . 54.240000000000002 114.657 -173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 63.9 mtt -60.8 -39.58 89.44 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 119.201 0.909 . . . . 63.310000000000002 112.486 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -74.51 -44.52 50.96 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 113.303 0.853 . . . . 71.109999999999999 113.303 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -60.06 -47.29 86.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 126.808 2.043 . . . . 73.200000000000003 113.232 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.76 92.57 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 121.164 -0.96 . . . . 63.340000000000003 112.778 -177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.2 mtp -63.71 -34.31 77.59 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.804 1.242 . . . . 60.219999999999999 114.199 174.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -60.61 -32.62 71.75 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.927 -1.108 . . . . 72.409999999999997 112.019 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -93.98 14.15 20.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.902 1.681 . . . . 74.349999999999994 114.764 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.96 0.78 63.58 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 121.093 -1.004 . . . . 63.009999999999998 114.227 167.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.62 140.37 56.87 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.484 1.142 . . . . 53.219999999999999 110.841 162.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -82.79 172.21 13.11 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 119.537 -1.977 . . . . 73.299999999999997 108.279 169.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.99 -32.61 74.42 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.283 -1.511 . . . . 74.219999999999999 112.929 -172.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.46 77.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.902 1.681 . . . . 63.450000000000003 112.118 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.68 -41.02 96.36 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.264 1.826 . . . . 61.340000000000003 113.436 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.76 84.83 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.015 0.746 . . . . 63.549999999999997 113.015 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -29.11 66.23 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.721 -1.237 . . . . 74.439999999999998 112.348 174.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -60.68 -42.7 97.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.391 1.626 . . . . 73.209999999999994 115.391 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 40.0 mt -63.42 -40.95 98.56 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 121.886 2.13 . . . . 74.310000000000002 112.591 175.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.51 -40.32 95.42 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.424 -0.797 . . . . 73.109999999999999 111.695 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.11 -42.42 96.89 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.269 -1.519 . . . . 72.129999999999995 112.549 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.71 -45.44 94.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.064 0 C-N-CA 124.403 1.081 . . . . 64.239999999999995 110.263 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -59.22 -53.47 57.96 Favored 'General case' 0 CA--C 1.49 -1.328 0 O-C-N 121.844 -0.535 . . . . 72.430000000000007 111.723 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -70.58 -29.58 66.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 O-C-N 121.173 -0.955 . . . . 54.109999999999999 109.912 -172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 t -66.11 -41.12 91.01 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.602 1.192 . . . . 61.340000000000003 112.801 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.3 m -67.88 -35.21 78.12 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.106 1.15 . . . . 60.549999999999997 114.106 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.24 -28.79 68.31 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.151 1.381 . . . . 63.119999999999997 113.009 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -87.59 -19.04 28.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 112.215 0.45 . . . . 75.129999999999995 112.215 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.9 m -100.98 -31.29 3.22 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 O-C-N 121.389 -0.819 . . . . 61.450000000000003 111.248 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -70.66 154.36 8.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 N-CA-C 114.613 1.338 . . . . 74.319999999999993 114.613 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.6 m -66.55 126.93 30.46 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.072 -1.018 . . . . 71.230000000000004 112.26 165.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 111' ' ' THR . 71.1 mt -111.66 132.57 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 129.089 2.956 . . . . 61.340000000000003 103.446 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.0 t -113.26 128.18 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.633 0 N-CA-C 105.946 -1.872 . . . . 64.230000000000004 105.946 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.44 92.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.443 1.275 . . . . 60.039999999999999 114.443 171.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -64.84 -38.2 90.18 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.414 1.486 . . . . 72.129999999999995 114.532 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -128.2 96.45 31.18 Favored Pre-proline 0 N--CA 1.447 -0.587 0 CA-C-O 117.769 -1.11 . . . . 75.209999999999994 109.04 -162.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.64 -13.59 37.54 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 CA-C-N 123.859 2.414 . . . . 74.120000000000005 112.785 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.05 -44.42 69.21 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 125.083 1.353 . . . . 50.399999999999999 110.863 -175.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -44.96 96.1 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.302 1.041 . . . . 71.230000000000004 111.255 172.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' ILE . 73.4 m -56.12 -46.65 79.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 117.963 0.347 . . . . 72.0 111.584 175.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 12.7 tpt -66.7 -47.94 70.82 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.751 -1.218 . . . . 64.129999999999995 113.572 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.53 79.33 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.738 1.615 . . . . 64.450000000000003 112.591 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.42 -41.76 98.93 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.027 0.931 . . . . 71.349999999999994 109.699 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.83 -46.48 87.72 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 121.513 -0.742 . . . . 70.129999999999995 112.385 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.02 99.7 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 124.931 1.292 . . . . 34.030000000000001 110.95 -175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.09 -29.1 62.69 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 119.075 -0.488 . . . . 73.120000000000005 110.812 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.8 t -69.35 -46.28 67.38 Favored 'General case' 0 C--N 1.37 1.462 0 CA-C-N 120.075 1.307 . . . . 73.239999999999995 113.363 166.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.6 t80 -54.96 -47.81 74.02 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.057 1.503 . . . . 72.209999999999994 115.057 173.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -63.06 -32.33 73.67 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.905 0.859 . . . . 52.009999999999998 110.997 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.63 99.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-O 122.679 1.228 . . . . 73.340000000000003 111.814 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -68.18 -46.03 71.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 114.723 1.379 . . . . 74.439999999999998 114.723 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' A' ' 126' ' ' LEU . 38.8 pt -67.45 -19.96 25.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 118.626 -2.546 . . . . 64.329999999999998 115.511 173.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.86 -40.69 96.23 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.303 1.041 . . . . 75.549999999999997 111.728 167.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -71.82 -27.8 63.16 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.862 0.865 . . . . 65.420000000000002 113.308 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -69.81 153.54 43.19 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.244 2.218 . . . . 73.430000000000007 115.332 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.77 0.35 53.14 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.636 1.174 . . . . 73.540000000000006 111.615 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -131.03 155.24 47.2 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.421 -1.696 . . . . 73.219999999999999 106.421 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.46 120.3 36.56 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 118.305 -0.855 . . . . 54.310000000000002 110.651 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.9 150.79 67.85 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.384 2.056 . . . . 73.430000000000007 109.094 157.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.1 p -87.56 166.44 14.73 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 106.392 -1.707 . . . . 62.039999999999999 106.392 175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.23 -21.1 66.7 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.0 -1.688 . . . . 65.140000000000001 114.373 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.5 -40.75 95.71 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.457 -1.402 . . . . 75.109999999999999 112.116 170.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.02 -43.91 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 126.529 1.932 . . . . 63.020000000000003 113.066 -173.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.87 -47.49 83.13 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 119.265 0.938 . . . . 74.349999999999994 112.304 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.2 m -77.34 -33.33 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 O-C-N 121.433 -0.792 . . . . 71.430000000000007 109.259 174.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.93 99.49 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 121.615 -0.678 . . . . 43.240000000000002 113.731 -172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 16.8 mt-10 -64.28 -38.08 89.77 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.777 1.289 . . . . 73.209999999999994 113.834 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.0 mt -63.55 -50.78 68.17 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.851 1.26 . . . . 73.549999999999997 112.717 174.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 56' ' ' ALA . 19.2 mt -68.28 -41.75 80.56 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.123 -1.398 . . . . 63.009999999999998 111.287 -176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.54 81.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 O-C-N 120.657 -1.277 . . . . 75.299999999999997 113.922 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -93.25 19.34 8.24 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.831 -1.168 . . . . 74.219999999999999 112.74 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 70' ' ' HIS . 7.4 t . . . . . 0 C--O 1.266 1.944 0 O-C-N 119.18 -2.2 . . . . 73.329999999999998 113.613 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.518 2.925 0 N-CA-C 115.383 1.623 . . . . 50.210000000000001 115.383 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.52 -33.05 74.73 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 115.697 1.74 . . . . 72.239999999999995 115.697 -169.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -105.23 16.79 25.12 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.518 0.727 . . . . 73.400000000000006 111.734 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.72 -59.4 3.34 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 108.599 -0.889 . . . . 71.329999999999998 108.599 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 mtt -66.45 -42.29 87.85 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 113.317 0.858 . . . . 71.120000000000005 113.317 -154.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -132.77 137.99 47.01 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.718 -2.697 . . . . 73.25 103.718 169.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -63.72 -42.36 97.93 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 114.381 1.252 . . . . 64.420000000000002 114.381 -171.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.1 mtp -110.27 122.51 47.84 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.915 -1.142 . . . . 53.020000000000003 107.915 167.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -75.86 -39.5 56.46 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 121.717 -0.615 . . . . 72.340000000000003 112.306 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -131.96 150.73 34.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.169 0.988 . . . . 71.239999999999995 109.261 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -162.93 175.59 11.03 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 104.848 -2.279 . . . . 73.239999999999995 104.848 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.62 -40.4 87.44 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.609 2.364 . . . . 71.209999999999994 111.801 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.28 69.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 116.896 2.184 . . . . 61.109999999999999 116.896 177.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -61.63 -46.55 93.66 Favored Pre-proline 0 C--N 1.356 0.852 0 CA-C-O 116.501 -1.714 . . . . 63.520000000000003 114.257 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.52 -27.9 32.58 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 124.953 2.805 . . . . 73.129999999999995 113.324 167.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.5 ttt -69.98 -43.87 70.58 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.691 1.132 . . . . 73.219999999999999 111.558 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.38 -31.21 65.37 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.492 1.117 . . . . 73.150000000000006 112.09 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.99 98.63 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.306 1.043 . . . . 55.43 112.802 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.2 m -60.35 -44.4 95.59 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.302 -0.874 . . . . 63.299999999999997 110.308 175.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -43.28 93.78 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 119.735 -1.853 . . . . 74.129999999999995 112.196 -174.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -77.29 -40.87 42.96 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 114.826 1.417 . . . . 72.439999999999998 114.826 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.9 -39.27 88.66 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 125.182 1.393 . . . . 75.019999999999996 111.273 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.9 mt -83.57 -9.29 59.02 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.96 -1.018 . . . . 75.040000000000006 110.436 -177.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.53 48.37 12.07 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.529 2.332 . . . . 62.539999999999999 113.003 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -119.3 158.35 48.89 Favored Pre-proline 0 C--N 1.347 0.475 0 C-N-CA 124.665 1.186 . . . . 74.519999999999996 109.231 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.94 166.61 29.23 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.614 2.21 . . . . 71.340000000000003 113.465 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -62.71 -29.82 70.95 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 128.172 2.589 . . . . 65.040000000000006 109.712 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.96 65.14 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.948 2.499 . . . . 61.020000000000003 113.43 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.4 m -102.48 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 C-N-CA 118.449 -1.3 . . . . 73.030000000000001 112.054 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.8 ptm -66.08 -31.84 72.94 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 120.28 -1.512 . . . . 74.219999999999999 111.506 166.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.543 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.7 pp0? -73.39 -21.83 60.41 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 121.544 -0.723 . . . . 74.0 112.939 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -61.07 -38.03 84.76 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 121.143 -0.973 . . . . 74.239999999999995 112.652 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -60.78 -43.75 97.69 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 114.348 1.24 . . . . 73.200000000000003 114.348 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 43.8 p90 -72.04 -34.47 68.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 119.579 -1.951 . . . . 73.150000000000006 116.244 175.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -63.4 -20.95 65.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.871 1.668 . . . . 71.409999999999997 114.75 170.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.6 -42.0 82.36 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 127.306 2.242 . . . . 65.25 111.541 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.27 -14.03 59.6 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.079 0.952 . . . . 63.210000000000001 111.992 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.49 132.6 50.4 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.095 0.958 . . . . 62.119999999999997 112.215 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -65.64 129.71 40.71 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.225 -1.547 . . . . 72.409999999999997 111.137 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.95 82.35 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 121.356 -0.84 . . . . 52.200000000000003 114.4 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -95.72 136.67 35.83 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.354 1.577 . . . . 74.030000000000001 111.93 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -115.86 114.75 25.14 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.326 -0.99 . . . . 72.340000000000003 108.326 170.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.1 mm -96.89 126.19 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 124.749 1.22 . . . . 64.439999999999998 108.757 170.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -121.59 1.73 10.08 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.348 1.059 . . . . 72.430000000000007 111.506 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -88.69 132.72 34.46 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.189 -0.944 . . . . 72.450000000000003 112.232 -164.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -60.12 -32.79 71.34 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.037 1.735 . . . . 75.200000000000003 113.63 -173.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.3 mt-10 -63.02 -29.79 71.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 115.811 1.782 . . . . 74.140000000000001 115.811 170.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.38 87.64 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 118.658 0.663 . . . . 75.209999999999994 111.497 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.42 95.65 Favored Glycine 0 CA--C 1.491 -1.468 0 O-C-N 120.378 -1.451 . . . . 73.420000000000002 113.109 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.1 m -63.84 -42.06 97.69 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.295 1.038 . . . . 75.329999999999998 110.915 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 O-C-N 121.224 -0.923 . . . . 74.049999999999997 111.796 172.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -59.7 -45.92 93.93 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 O-C-N 120.29 -1.506 . . . . 74.439999999999998 112.992 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.15 -29.08 68.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.319 1.229 . . . . 63.229999999999997 114.319 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.3 t -64.48 -41.17 96.64 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.874 1.67 . . . . 74.450000000000003 112.715 173.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -40.03 90.99 Favored 'General case' 0 C--N 1.365 1.264 0 CA-C-N 122.348 2.34 . . . . 73.299999999999997 112.989 172.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.7 -36.46 69.68 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 125.581 1.552 . . . . 44.420000000000002 114.466 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -79.23 -20.32 48.55 Favored 'General case' 0 N--CA 1.445 -0.697 0 O-C-N 121.58 -0.7 . . . . 74.409999999999997 112.635 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -109.46 32.01 5.33 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 126.174 1.79 . . . . 71.25 112.931 -171.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.4 mt -77.36 -26.62 52.15 Favored 'General case' 0 CA--C 1.495 -1.142 0 O-C-N 119.87 -1.769 . . . . 70.140000000000001 111.068 -175.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -64.1 -16.53 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.095 1.358 . . . . 74.349999999999994 112.734 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.18 -26.68 56.43 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.641 1.576 . . . . 74.109999999999999 110.752 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 68' ' ' LEU . 57.7 mt -69.3 160.02 32.02 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.239 2.215 . . . . 72.340000000000003 110.336 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.49 138.5 47.06 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.546 -1.346 . . . . 61.340000000000003 109.85 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -60.59 -27.32 67.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 114.274 1.213 . . . . 73.120000000000005 114.274 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.41 -33.62 69.85 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.436 -1.415 . . . . 63.340000000000003 113.434 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.4 ptm -79.42 -16.84 55.51 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.861 -1.149 . . . . 73.209999999999994 112.413 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 62.95 31.49 16.15 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.813 2.845 . . . . 70.299999999999997 117.127 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.434 HD13 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -80.93 122.51 27.34 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.898 -1.751 . . . . 64.5 111.026 175.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -141.49 156.84 45.71 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 72.319999999999993 107.222 167.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -69.03 134.57 49.61 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.771 1.272 . . . . 63.530000000000001 112.337 -174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.57 -11.49 63.73 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 115.078 -0.965 . . . . 64.430000000000007 114.753 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.36 18.52 15.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 125.873 1.669 . . . . 65.329999999999998 112.25 -168.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.05 79.88 Favored 'General case' 0 CA--C 1.495 -1.17 0 C-N-CA 125.191 1.397 . . . . 75.439999999999998 113.802 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 62.0 mtt -61.08 -38.82 87.6 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.487 1.039 . . . . 51.009999999999998 112.88 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.27 -44.74 35.83 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 113.354 0.872 . . . . 73.319999999999993 113.354 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 54.3 t80 -61.13 -44.87 96.67 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.479 2.312 . . . . 73.030000000000001 113.594 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.5 -40.98 79.84 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.89 -1.132 . . . . 73.140000000000001 113.103 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.38 -35.88 81.86 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 114.39 1.256 . . . . 73.340000000000003 114.39 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -61.08 -28.26 68.95 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 120.868 -1.145 . . . . 73.519999999999996 112.344 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.85 14.96 21.64 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.883 1.673 . . . . 75.540000000000006 114.536 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.72 62.35 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 121.122 -0.986 . . . . 51.329999999999998 113.855 166.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 143.33 56.86 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.307 1.054 . . . . 74.329999999999998 111.843 165.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -81.2 171.21 15.16 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.711 -1.868 . . . . 70.25 108.366 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.4 -33.87 76.86 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.647 -1.283 . . . . 73.340000000000003 112.749 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 126.091 1.756 . . . . 71.319999999999993 112.586 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.8 mmt -71.72 -35.97 70.35 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.247 1.019 . . . . 50.340000000000003 111.941 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.0 88.36 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.319 1.448 . . . . 70.430000000000007 113.001 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -24.53 50.42 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.534 0.733 . . . . 52.43 112.116 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -60.81 -42.06 96.92 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.659 1.355 . . . . 71.219999999999999 114.659 171.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.79 -41.94 99.49 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.038 1.745 . . . . 72.519999999999996 112.242 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.08 -40.53 96.45 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.803 -1.186 . . . . 64.450000000000003 112.112 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.72 -42.63 97.9 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.486 -1.384 . . . . 74.430000000000007 112.645 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.38 -45.41 93.44 Favored 'Isoleucine or valine' 0 C--N 1.361 1.08 0 C-N-CA 124.557 1.143 . . . . 73.530000000000001 110.387 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -58.31 -56.21 25.07 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 122.851 0.46 . . . . 71.219999999999999 111.752 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -66.03 -32.99 74.78 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 123.732 0.813 . . . . 64.409999999999997 109.734 -173.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.71 -41.72 91.98 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 122.915 1.34 . . . . 61.450000000000003 112.983 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.478 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.1 m -67.53 -34.6 77.43 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 114.532 1.308 . . . . 71.099999999999994 114.532 173.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.65 -32.48 70.49 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.238 1.415 . . . . 73.530000000000001 111.128 -174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -85.3 -19.44 31.52 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.817 0.447 . . . . 71.340000000000003 111.935 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.3 m -100.35 -29.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 O-C-N 121.385 -0.822 . . . . 73.420000000000002 111.354 -175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -71.27 155.07 7.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 114.971 1.471 . . . . 70.400000000000006 114.971 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 90.6 m -66.66 126.8 30.09 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.071 -1.018 . . . . 52.32 112.365 164.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 111' ' ' THR . 70.8 mt -112.23 132.42 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.619 0 C-N-CA 129.045 2.938 . . . . 74.099999999999994 103.822 176.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -114.74 128.15 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 N-CA-C 105.866 -1.902 . . . . 73.230000000000004 105.866 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.93 93.65 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.854 1.428 . . . . 42.310000000000002 114.854 170.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.25 -39.83 94.75 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 125.98 1.712 . . . . 60.439999999999998 113.402 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -127.66 92.37 43.0 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-O 118.256 -0.878 . . . . 72.310000000000002 108.759 -161.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -69.01 -14.06 37.74 Favored 'Trans proline' 0 C--N 1.331 -0.371 0 C-N-CA 122.652 2.235 . . . . 53.450000000000003 112.535 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.82 -43.33 72.26 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.917 1.287 . . . . 73.400000000000006 110.457 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -45.22 94.75 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.183 -0.948 . . . . 71.109999999999999 110.974 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 103' ' ' ILE . 76.7 m -56.1 -46.12 79.19 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 111.71 0.263 . . . . 75.010000000000005 111.71 175.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.1 tpt -66.29 -48.23 71.08 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.809 -1.182 . . . . 72.340000000000003 113.707 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -44.75 79.7 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.807 1.643 . . . . 64.319999999999993 112.581 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.48 -41.92 99.13 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.071 0.949 . . . . 74.129999999999995 109.467 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.0 -46.8 85.93 Favored 'General case' 0 CA--C 1.494 -1.179 0 O-C-N 121.773 -0.579 . . . . 75.239999999999995 112.173 174.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.96 99.16 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.663 1.185 . . . . 61.210000000000001 110.978 -174.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -72.65 -28.64 62.85 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.16 -0.448 . . . . 74.099999999999994 110.87 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.8 t -69.9 -46.34 65.65 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-N 119.954 1.252 . . . . 41.310000000000002 113.383 166.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 139' ' ' LEU . 68.6 t80 -55.05 -47.93 74.13 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 114.975 1.472 . . . . 62.25 114.975 173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.6 ttpp -62.64 -31.76 72.69 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 124.11 0.964 . . . . 71.319999999999993 111.377 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.84 99.69 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 122.541 1.162 . . . . 62.43 112.338 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -67.6 -46.61 72.09 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.939 1.296 . . . . 75.420000000000002 114.22 174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.83 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.2 pt -66.75 -22.57 29.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 119.11 -2.244 . . . . 72.450000000000003 114.258 175.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.3 -41.46 98.53 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.854 1.262 . . . . 52.130000000000003 111.891 168.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -75.49 -25.25 57.16 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.38 0.882 . . . . 74.420000000000002 113.38 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.8 mt -67.04 152.83 45.05 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 127.256 2.222 . . . . 72.340000000000003 115.319 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.87 0.35 53.29 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.859 1.264 . . . . 55.409999999999997 111.93 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.9 p-90 -129.46 154.46 46.96 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 106.663 -1.606 . . . . 73.109999999999999 106.663 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.84 42.55 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-O 118.618 -0.706 . . . . 43.539999999999999 111.396 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.36 147.44 65.43 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.381 2.054 . . . . 74.409999999999997 109.756 157.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.42 168.71 18.04 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 121.613 0.72 . . . . 53.329999999999998 109.277 165.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.71 -32.38 72.58 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.658 -1.276 . . . . 73.25 111.632 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.86 -35.6 75.12 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.178 0.991 . . . . 63.329999999999998 111.989 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.15 -45.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 127.054 2.142 . . . . 74.319999999999993 111.569 -178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.5 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.468 -1.395 . . . . 74.120000000000005 114.053 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.84 -29.74 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.217 0 O-C-N 120.597 -1.315 . . . . 71.239999999999995 108.184 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.35 98.3 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.141 -0.811 . . . . 63.439999999999998 114.087 -174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -67.48 -35.47 79.24 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.517 1.658 . . . . 71.25 112.845 177.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.4 mt -62.11 -51.17 69.0 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 113.312 0.856 . . . . 73.439999999999998 113.312 169.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 56' ' ' ALA . 28.9 mt -68.43 -40.38 81.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.741 -1.118 . . . . 64.25 111.948 -177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.38 89.32 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.244 -1.535 . . . . 43.32 113.348 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -95.03 27.16 3.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.588 -0.695 . . . . 54.299999999999997 111.74 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.261 1.69 0 O-C-N 119.694 -1.879 . . . . 70.430000000000007 114.511 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.52 3.028 0 N-CA-C 115.678 1.733 . . . . 71.310000000000002 115.678 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -86.77 118.64 26.3 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.776 -1.202 . . . . 71.340000000000003 109.923 -168.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 58.63 20.37 7.63 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 130.28 3.432 . . . . 63.329999999999998 114.782 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.9 t -78.05 -46.21 26.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 C-N-CA 125.178 1.391 . . . . 64.329999999999998 110.096 174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.5 mtp -67.84 -40.93 83.64 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 113.994 -1.457 . . . . 74.129999999999995 113.288 -150.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -118.81 165.15 14.38 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 124.41 1.084 . . . . 73.5 111.253 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.49 128.21 56.21 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.99 -1.115 . . . . 73.049999999999997 107.99 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptp -154.97 156.0 35.23 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.784 -1.191 . . . . 71.129999999999995 107.784 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -130.92 5.38 4.56 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.949 -0.469 . . . . 74.129999999999995 110.624 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -112.43 123.74 68.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 108.176 -1.046 . . . . 62.140000000000001 108.176 -170.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -62.82 -34.4 77.23 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.639 1.576 . . . . 61.420000000000002 112.798 -176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -75.28 -3.96 36.3 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 125.03 1.332 . . . . 72.129999999999995 113.654 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.16 90.77 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.998 2.221 . . . . 34.020000000000003 116.998 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -48.0 90.17 Favored Pre-proline 0 C--N 1.36 1.04 0 CA-C-N 120.316 1.416 . . . . 53.140000000000001 112.905 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.55 -28.99 25.58 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 CA-C-N 124.116 2.506 . . . . 73.109999999999999 114.746 167.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 93.1 mtp -65.4 -43.36 90.87 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.9 2.136 . . . . 64.239999999999995 114.589 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.37 -31.88 69.32 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.846 -1.159 . . . . 73.049999999999997 111.336 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.47 89.2 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 113.877 1.065 . . . . 74.409999999999997 113.877 168.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.6 m -60.08 -43.81 95.22 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.437 1.017 . . . . 73.319999999999993 110.181 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.28 -43.08 92.55 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 119.488 -2.008 . . . . 72.420000000000002 112.691 -175.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -77.45 -39.27 47.29 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 114.693 1.368 . . . . 74.439999999999998 114.693 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -59.19 -40.01 84.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 126.672 1.989 . . . . 65.0 110.496 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.9 mt -87.07 -10.19 53.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.325 -0.852 . . . . 62.450000000000003 110.214 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 58.07 48.02 13.73 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 126.449 1.9 . . . . 72.510000000000005 113.142 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.07 158.09 47.05 Favored Pre-proline 0 C--N 1.347 0.489 0 C-N-CA 124.952 1.301 . . . . 74.409999999999997 108.316 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.4 Cg_endo -73.51 165.96 31.08 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.477 2.118 . . . . 61.229999999999997 113.394 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.2 -30.56 71.17 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 128.256 2.622 . . . . 75.230000000000004 109.457 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.78 68.43 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.601 2.36 . . . . 22.239999999999998 113.738 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.6 m -99.91 -24.65 4.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.381 -1.449 . . . . 60.43 112.039 -173.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.7 ptm -65.21 -32.28 73.87 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.435 -1.416 . . . . 64.319999999999993 111.54 167.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -75.17 -22.52 58.01 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.581 -0.7 . . . . 61.549999999999997 112.391 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -61.03 -37.54 82.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.07 -1.019 . . . . 75.299999999999997 113.004 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CD2' HG12 ' A' ' 52' ' ' ILE . 16.5 t80 -60.41 -46.15 91.05 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 113.996 1.109 . . . . 64.209999999999994 113.996 175.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 40.2 p90 -71.75 -32.77 68.05 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 115.618 1.71 . . . . 71.319999999999993 115.618 177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -64.19 -12.45 40.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 115.526 1.676 . . . . 62.210000000000001 115.526 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -59.3 -42.0 90.31 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.01 1.324 . . . . 73.510000000000005 109.941 173.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -68.67 -23.63 64.42 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 125.574 1.55 . . . . 64.129999999999995 112.869 -173.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -62.15 130.73 46.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.94 1.296 . . . . 71.519999999999996 112.157 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.74 136.39 54.18 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.92 -1.738 . . . . 64.409999999999997 112.545 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.15 -6.4 83.58 Favored Glycine 0 C--N 1.35 1.36 0 O-C-N 121.444 -0.785 . . . . 41.25 113.435 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.17 132.35 41.68 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.169 1.485 . . . . 64.439999999999998 111.419 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.47 116.24 28.53 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.676 -1.231 . . . . 70.010000000000005 107.676 169.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.34 122.28 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 124.101 0.96 . . . . 71.209999999999994 109.218 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p -122.87 -3.4 8.66 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.714 1.206 . . . . 60.219999999999999 112.108 -173.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -83.61 134.42 34.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.022 0.929 . . . . 73.409999999999997 112.093 -165.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.62 -33.03 70.98 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.184 1.793 . . . . 73.0 113.671 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.9 mt-10 -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.754 1.761 . . . . 63.020000000000003 115.754 170.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.47 89.15 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.689 0.677 . . . . 72.540000000000006 111.471 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.25 95.54 Favored Glycine 0 CA--C 1.489 -1.557 0 O-C-N 120.283 -1.511 . . . . 73.310000000000002 113.1 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.2 m -63.92 -41.74 97.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.316 1.046 . . . . 73.400000000000006 110.856 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 p -68.1 -42.06 84.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 121.087 -1.008 . . . . 63.119999999999997 111.919 171.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 33' ' ' PHE . 52.2 mt -59.95 -45.47 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 120.354 -1.466 . . . . 60.219999999999999 112.911 -174.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.4 pp -67.35 -28.34 67.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 114.688 1.366 . . . . 72.239999999999995 114.688 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.478 ' N ' HD12 ' A' ' 53' ' ' LEU . 52.6 t -61.83 -42.56 99.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.849 1.66 . . . . 63.539999999999999 112.295 173.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.05 -38.58 83.22 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-N 121.061 1.755 . . . . 61.229999999999997 113.662 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.521 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.81 -35.05 70.33 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 126.007 1.723 . . . . 71.129999999999995 115.394 -174.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -85.34 -11.17 55.24 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 113.178 0.807 . . . . 53.229999999999997 113.178 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -118.19 37.92 3.86 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.285 1.434 . . . . 74.140000000000001 111.948 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 68' ' ' LEU . 91.4 mt -82.01 -27.06 33.3 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 123.893 1.806 . . . . 63.399999999999999 110.66 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.34 -15.37 57.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 126.2 1.8 . . . . 71.030000000000001 112.803 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.99 -27.51 57.46 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.196 1.798 . . . . 73.219999999999999 111.446 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 mt -69.57 160.56 31.3 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.657 2.383 . . . . 72.450000000000003 111.076 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.9 126.05 28.56 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 121.041 -1.037 . . . . 74.439999999999998 111.056 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.31 -25.88 67.42 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.378 1.471 . . . . 74.420000000000002 113.583 -171.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -55.82 -32.26 63.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.977 2.111 . . . . 53.119999999999997 113.966 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 ptp -81.98 -8.41 59.67 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.043 1.292 . . . . 62.549999999999997 112.335 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 m120 62.49 27.9 16.5 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 128.303 2.641 . . . . 64.439999999999998 116.191 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.18 121.26 25.91 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 120.138 -1.602 . . . . 64.129999999999995 110.673 178.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -136.35 161.01 36.99 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 105.097 -2.186 . . . . 62.420000000000002 105.097 168.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -68.26 145.39 54.29 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.002 -1.11 . . . . 72.120000000000005 108.002 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 -48.3 4.03 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 120.446 -1.409 . . . . 71.349999999999994 115.005 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.59 50.33 1.98 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 125.594 1.557 . . . . 55.009999999999998 109.35 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.69 95.92 Favored 'General case' 0 CA--C 1.485 -1.549 0 C-N-CA 126.112 1.765 . . . . 61.119999999999997 111.462 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -61.15 -41.47 96.79 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.013 0.435 . . . . 72.230000000000004 112.004 -175.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.32 -45.31 66.48 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 113.48 0.919 . . . . 55.310000000000002 113.48 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.67 -48.19 82.91 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.475 1.91 . . . . 65.329999999999998 112.98 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.15 94.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.241 1.016 . . . . 61.539999999999999 112.94 -176.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.2 mtm -63.15 -36.26 83.02 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 114.134 1.161 . . . . 54.43 114.134 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.57 -27.5 68.67 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 120.655 -1.278 . . . . 73.340000000000003 112.309 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.11 13.53 24.98 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.875 1.67 . . . . 70.340000000000003 114.707 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.83 0.02 62.49 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 121.0 -1.062 . . . . 71.030000000000001 114.271 167.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.83 141.38 57.71 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.445 1.123 . . . . 74.519999999999996 111.193 163.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -81.51 169.98 16.46 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.467 -2.021 . . . . 74.129999999999995 108.115 169.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.61 -34.9 79.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.601 -1.312 . . . . 53.32 112.74 -173.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.627 1.971 . . . . 72.010000000000005 112.374 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -72.21 -36.13 69.08 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.175 0.99 . . . . 74.430000000000007 112.403 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.853 0.861 . . . . 61.450000000000003 113.311 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -68.85 -28.46 66.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.737 -1.227 . . . . 71.099999999999994 112.423 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.75 -42.0 96.54 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.964 1.468 . . . . 62.530000000000001 114.964 170.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 55.3 mt -63.09 -41.97 99.51 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 121.72 2.054 . . . . 74.329999999999998 112.387 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.87 -39.99 95.51 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 120.711 -1.243 . . . . 70.409999999999997 112.007 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.73 -42.93 97.83 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.527 -1.358 . . . . 51.409999999999997 112.706 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.87 -45.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.072 0 C-N-CA 124.423 1.089 . . . . 73.409999999999997 110.329 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' A' ' 139' ' ' LEU . 62.1 tttt -59.09 -53.8 54.29 Favored 'General case' 0 CA--C 1.49 -1.362 0 O-C-N 121.795 -0.566 . . . . 75.329999999999998 111.672 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.1 -29.14 64.91 Favored 'General case' 0 N--CA 1.436 -1.127 0 O-C-N 121.2 -0.938 . . . . 70.340000000000003 110.013 -172.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 t -66.05 -43.71 86.69 Favored 'General case' 0 C--N 1.361 1.091 0 CA-C-O 122.615 1.198 . . . . 74.040000000000006 111.814 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.472 ' HA ' HG22 ' A' ' 100' ' ' VAL . 10.3 m -65.56 -32.1 73.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 114.222 1.193 . . . . 60.140000000000001 114.222 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.08 -25.68 67.12 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.067 1.347 . . . . 75.209999999999994 112.394 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -75.82 -40.35 55.08 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.075 1.75 . . . . 73.200000000000003 109.895 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.8 m -95.48 -29.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 C-N-CA 123.387 0.675 . . . . 74.200000000000003 111.398 -164.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.03 155.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.629 1.204 . . . . 65.219999999999999 113.96 174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.4 m -66.67 122.78 18.39 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.926 -1.109 . . . . 72.040000000000006 111.673 164.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.1 mt -104.58 131.79 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.592 0 C-N-CA 128.558 2.743 . . . . 72.420000000000002 103.602 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -113.24 128.11 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 106.123 -1.806 . . . . 75.409999999999997 106.123 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.65 91.84 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.438 1.273 . . . . 73.120000000000005 114.438 171.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.88 -39.89 95.24 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.009 1.724 . . . . 51.219999999999999 113.563 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -129.89 96.13 26.91 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.827 -1.082 . . . . 64.209999999999994 109.077 -160.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -68.47 -13.69 38.07 Favored 'Trans proline' 0 C--N 1.329 -0.499 0 CA-C-N 123.768 2.381 . . . . 64.239999999999995 112.779 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.41 -44.57 71.13 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.144 1.378 . . . . 73.540000000000006 110.919 -175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -45.44 94.22 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.352 1.061 . . . . 74.430000000000007 111.667 172.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -56.29 -46.37 79.8 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.196 0.453 . . . . 65.549999999999997 111.429 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.3 tpt -66.52 -48.98 68.05 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.662 -1.274 . . . . 70.209999999999994 114.0 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -45.05 80.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 125.08 1.352 . . . . 71.530000000000001 112.588 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.45 -41.34 98.67 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.068 0.947 . . . . 73.540000000000006 109.6 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.85 -46.79 86.25 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 121.321 -0.862 . . . . 64.349999999999994 112.595 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.26 97.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 123.949 0.9 . . . . 65.340000000000003 110.87 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.0 ptm -69.85 -29.71 67.02 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 118.852 -0.594 . . . . 70.219999999999999 112.071 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 46.7 t -68.61 -46.97 67.9 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 120.521 1.509 . . . . 74.439999999999998 113.754 166.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 139' ' ' LEU . 66.6 t80 -55.92 -48.58 75.43 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 115.239 1.57 . . . . 54.399999999999999 115.239 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -67.42 -22.85 65.5 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.375 -0.828 . . . . 64.430000000000007 111.988 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -65.18 -43.52 91.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.347 1.07 . . . . 63.32 112.575 176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -67.37 -45.37 76.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.894 1.278 . . . . 61.32 114.253 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.849 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.3 pt -66.53 -22.14 29.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 119.529 -1.982 . . . . 73.120000000000005 114.451 174.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.477 1.111 . . . . 63.109999999999999 111.828 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -71.05 -27.49 63.69 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.263 1.025 . . . . 72.230000000000004 113.239 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.1 mt -68.57 153.28 44.06 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.287 2.235 . . . . 62.329999999999998 115.111 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.13 0.9 52.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.591 1.156 . . . . 72.340000000000003 111.775 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -130.11 155.33 46.37 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.096 -1.446 . . . . 74.099999999999994 107.096 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.15 118.94 41.48 Favored Pre-proline 0 N--CA 1.444 -0.771 0 CA-C-O 118.602 -0.713 . . . . 63.229999999999997 111.499 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -70.36 154.01 65.7 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.504 2.136 . . . . 70.040000000000006 108.951 155.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -85.46 169.03 14.03 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 106.429 -1.693 . . . . 72.129999999999995 106.429 173.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.51 -33.25 73.5 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.265 -1.522 . . . . 74.209999999999994 112.285 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -60.59 -41.46 94.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 123.767 0.827 . . . . 64.010000000000005 112.256 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -44.72 16.95 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 C-N-CA 126.467 1.907 . . . . 75.209999999999994 112.982 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.48 86.68 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.362 0.875 . . . . 62.219999999999999 113.362 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.37 -29.14 14.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 120.59 -1.318 . . . . 75.129999999999995 107.681 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.35 -41.48 98.13 Favored Glycine 0 C--N 1.357 1.731 0 O-C-N 121.329 -0.857 . . . . 75.409999999999997 114.238 -172.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 13.9 mt-10 -64.19 -37.47 87.6 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.844 1.322 . . . . 55.219999999999999 113.03 174.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 119' ' ' PHE . 58.6 mt -63.95 -51.92 62.13 Favored 'General case' 0 CA--C 1.477 -1.843 0 C-N-CA 124.892 1.277 . . . . 75.129999999999995 113.056 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 56' ' ' ALA . 51.9 mt -69.17 -39.02 79.0 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.817 -1.083 . . . . 75.329999999999998 112.063 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.3 -43.39 98.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 119.963 -1.711 . . . . 53.329999999999998 113.319 173.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -91.91 34.58 1.0 Allowed 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.802 -1.186 . . . . 71.129999999999995 111.853 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.262 1.731 0 O-C-N 119.774 -1.829 . . . . 60.539999999999999 114.377 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 N--CA 1.516 2.853 0 N-CA-C 117.397 2.369 . . . . 72.5 117.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -72.85 -44.02 61.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.63 1.172 . . . . 74.129999999999995 112.047 -170.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.52 -6.59 49.32 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 114.679 1.363 . . . . 75.019999999999996 114.679 -173.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.5 -46.19 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 125.745 1.618 . . . . 74.109999999999999 110.706 169.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.8 mtt -68.34 -42.71 78.87 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 113.624 0.972 . . . . 61.310000000000002 113.624 -147.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -105.19 119.34 38.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 107.234 -1.395 . . . . 73.420000000000002 107.234 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -148.46 -29.4 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 N-CA-C 113.544 0.942 . . . . 75.5 113.544 -175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 76.9 mtm -79.74 150.72 30.72 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.225 -1.547 . . . . 54.140000000000001 112.212 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p 75.03 -9.58 1.35 Allowed 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.157 2.583 . . . . 73.25 116.56 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.05 130.05 34.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 121.083 -1.011 . . . . 70.450000000000003 112.539 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -149.71 164.97 33.8 Favored 'General case' 0 C--N 1.353 0.717 0 O-C-N 120.797 -1.19 . . . . 75.310000000000002 109.278 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.78 -33.6 73.22 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 126.348 1.859 . . . . 74.230000000000004 110.245 170.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.83 -31.01 68.1 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 116.044 1.868 . . . . 54.130000000000003 116.044 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -65.52 -46.66 69.04 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-O 116.628 -1.654 . . . . 71.340000000000003 114.109 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.33 -28.15 33.47 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 CA-C-N 124.894 2.784 . . . . 62.530000000000001 113.341 164.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 ttt -69.4 -43.06 74.21 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.973 1.26 . . . . 75.109999999999999 112.397 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.46 -31.02 66.69 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.331 1.052 . . . . 75.239999999999995 112.04 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.75 98.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.01 0.924 . . . . 70.310000000000002 111.738 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -74.19 0.02 15.36 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.328 1.451 . . . . 72.230000000000004 113.875 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -87.71 -48.66 7.69 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 119.238 -2.164 . . . . 74.0 109.733 163.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -79.49 -37.03 37.72 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.202 -1.561 . . . . 74.129999999999995 114.456 -174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -59.54 -38.65 81.6 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 127.01 2.124 . . . . 74.319999999999993 110.825 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.51 -9.53 54.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 113.991 -1.459 . . . . 74.030000000000001 109.277 -173.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.55 46.63 14.55 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 126.662 1.985 . . . . 71.209999999999994 113.081 -176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.86 157.43 48.29 Favored Pre-proline 0 C--N 1.348 0.539 0 C-N-CA 124.541 1.137 . . . . 62.420000000000002 108.869 -175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.8 Cg_endo -75.31 167.09 27.49 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.539 2.159 . . . . 54.109999999999999 113.217 177.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.59 -25.65 68.06 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 127.676 2.39 . . . . 61.030000000000001 110.003 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.15 68.86 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.651 1.98 . . . . 65.120000000000005 113.776 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG11 ' CD ' ' A' ' 47' ' ' GLU . 8.6 m -102.93 -23.06 4.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 120.54 -1.35 . . . . 52.140000000000001 112.051 -172.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -67.91 -31.68 71.63 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.115 -1.616 . . . . 64.430000000000007 110.574 167.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.541 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -72.64 -21.68 61.05 Favored 'General case' 0 C--N 1.361 1.073 0 O-C-N 121.431 -0.793 . . . . 54.049999999999997 112.627 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.11 -37.57 83.23 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 121.124 -0.985 . . . . 72.140000000000001 112.78 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 52' ' ' ILE . 19.6 t80 -60.46 -43.88 96.45 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.276 1.213 . . . . 73.420000000000002 114.276 173.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.3 p90 -72.33 -33.96 67.72 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 116.476 2.028 . . . . 72.310000000000002 116.476 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -63.53 -21.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.275 1.83 . . . . 72.219999999999999 114.629 169.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.9 -40.33 76.07 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 127.355 2.262 . . . . 75.439999999999998 111.464 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -79.42 -10.05 59.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 123.764 0.826 . . . . 75.120000000000005 111.911 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -64.49 125.9 26.12 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 121.104 -0.997 . . . . 74.349999999999994 111.91 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -69.9 132.72 46.42 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.158 -1.589 . . . . 74.329999999999998 111.254 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.49 -9.81 71.37 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 121.82 -0.55 . . . . 34.439999999999998 113.438 -172.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -98.15 138.14 35.88 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 119.088 1.444 . . . . 64.430000000000007 112.293 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -112.34 124.26 52.08 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 122.84 1.305 . . . . 74.430000000000007 107.541 166.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -104.17 125.2 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 125.22 1.408 . . . . 72.109999999999999 107.35 167.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.4 p -123.95 0.24 8.53 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.461 1.104 . . . . 74.230000000000004 111.259 -172.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -87.69 133.33 33.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.904 0.882 . . . . 63.439999999999998 112.13 -167.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.63 -31.45 70.64 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.077 1.751 . . . . 71.329999999999998 113.834 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' CD ' HG11 ' A' ' 29' ' ' VAL . 12.5 mt-10 -62.2 -31.34 71.86 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 115.399 1.629 . . . . 72.129999999999995 115.399 169.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.709 0.766 . . . . 63.450000000000003 110.804 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.27 99.35 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 120.975 -1.078 . . . . 74.200000000000003 114.04 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.81 -41.32 97.92 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 124.799 1.239 . . . . 50.32 111.382 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.9 -41.51 87.71 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 O-C-N 121.11 -0.993 . . . . 74.25 112.315 171.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.1 mt -59.75 -46.19 93.81 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 O-C-N 120.669 -1.27 . . . . 44.299999999999997 112.889 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -68.27 -28.53 67.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.423 1.268 . . . . 65.299999999999997 114.423 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.52 ' N ' HD12 ' A' ' 53' ' ' LEU . 44.6 t -63.33 -42.87 99.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 125.889 1.676 . . . . 64.239999999999995 112.387 174.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.09 -37.11 81.54 Favored 'General case' 0 C--N 1.369 1.417 0 CA-C-N 121.088 1.767 . . . . 74.549999999999997 113.814 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.18 -36.05 72.48 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 115.818 1.784 . . . . 52.140000000000001 115.818 -174.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -70.69 -42.1 71.12 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 113.356 0.873 . . . . 65.150000000000006 113.356 165.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.96 46.59 1.37 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.41 -1.431 . . . . 72.230000000000004 113.851 -169.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.7 mt -92.79 -12.59 30.84 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-O 123.54 1.638 . . . . 74.530000000000001 109.394 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.14 -28.18 69.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 127.434 2.294 . . . . 74.120000000000005 110.459 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -23.76 58.71 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.947 2.499 . . . . 52.140000000000001 111.486 -177.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD12 HD13 ' A' ' 68' ' ' LEU . 64.6 mt -76.18 160.6 29.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.855 2.462 . . . . 74.430000000000007 110.826 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.76 146.98 32.04 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.429 -1.419 . . . . 73.400000000000006 111.052 -172.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.64 -30.28 70.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.758 1.392 . . . . 75.319999999999993 114.758 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -58.59 -35.45 72.43 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.106 -1.621 . . . . 75.019999999999996 113.506 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.34 -17.63 58.1 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.948 -1.095 . . . . 72.040000000000006 112.905 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 64.42 27.07 13.58 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.803 2.841 . . . . 73.099999999999994 116.569 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.37 120.46 24.99 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.865 -1.772 . . . . 72.239999999999995 110.34 178.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -141.13 147.22 38.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.223 -1.769 . . . . 72.030000000000001 106.223 168.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.3 t60 -65.78 129.68 40.63 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.279 1.032 . . . . 74.239999999999995 111.125 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.59 -11.23 72.21 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 124.146 0.879 . . . . 71.329999999999998 114.96 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.69 25.42 9.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.805 1.302 . . . . 75.530000000000001 110.651 -172.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.11 83.06 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 124.758 1.223 . . . . 74.140000000000001 114.276 -173.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.6 mtm -61.05 -39.02 88.26 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.761 1.164 . . . . 72.120000000000005 112.42 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -74.84 -45.31 44.05 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 112.985 0.735 . . . . 72.329999999999998 112.985 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 69.7 t80 -61.52 -45.1 95.62 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.352 1.861 . . . . 74.219999999999999 113.025 176.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.93 -41.78 83.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 121.207 -0.933 . . . . 40.039999999999999 112.697 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.1 mtm -63.53 -37.46 87.39 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 114.501 1.297 . . . . 72.510000000000005 114.501 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -61.5 -27.1 68.34 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.806 -1.184 . . . . 63.140000000000001 112.49 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -95.25 14.66 21.56 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.591 1.556 . . . . 72.329999999999998 114.6 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.35 -2.56 61.09 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 121.106 -0.996 . . . . 65.140000000000001 113.844 166.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.6 143.52 56.02 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.465 -1.021 . . . . 71.040000000000006 111.663 165.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -80.97 170.99 15.55 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 119.508 -1.995 . . . . 62.030000000000001 108.418 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.19 -34.63 78.52 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.588 -1.32 . . . . 71.099999999999994 112.683 -172.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -43.5 80.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.136 1.774 . . . . 71.310000000000002 112.59 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.49 -36.37 73.79 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.954 -1.092 . . . . 60.200000000000003 111.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.44 88.46 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.179 1.392 . . . . 73.099999999999994 112.818 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -75.49 -25.66 57.51 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.717 0.807 . . . . 75.230000000000004 111.915 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.85 -42.05 97.05 Favored 'General case' 0 C--N 1.356 0.883 0 N-CA-C 114.81 1.411 . . . . 70.409999999999997 114.81 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.77 -41.83 99.41 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 121.239 1.836 . . . . 64.439999999999998 112.333 176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.094 -1.004 . . . . 70.25 111.822 172.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.74 -42.66 97.82 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.458 -1.401 . . . . 53.310000000000002 112.57 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.42 -45.14 93.8 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 C-N-CA 124.458 1.103 . . . . 74.129999999999995 110.17 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -58.89 -56.41 22.62 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 121.862 -0.524 . . . . 61.030000000000001 112.046 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -68.32 -29.16 67.85 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 121.46 -0.775 . . . . 73.310000000000002 110.91 -174.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.0 t -66.74 -40.07 88.17 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 122.533 1.158 . . . . 52.350000000000001 113.337 172.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.467 ' HA ' HG22 ' A' ' 100' ' ' VAL . 18.5 m -69.27 -34.64 75.06 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 125.22 1.408 . . . . 74.420000000000002 114.424 172.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.35 -32.11 70.95 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 121.065 -1.022 . . . . 74.400000000000006 111.601 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -83.33 -20.4 34.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.537 0.735 . . . . 74.150000000000006 111.721 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.16 -29.51 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 121.495 -0.753 . . . . 73.439999999999998 111.169 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 pt -71.56 157.18 6.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 114.692 1.367 . . . . 73.450000000000003 114.692 174.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 m -70.53 127.74 33.74 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 120.975 -1.078 . . . . 73.030000000000001 112.22 164.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 HG12 HG23 ' A' ' 111' ' ' THR . 77.3 mt -110.98 132.48 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.687 0 C-N-CA 129.847 3.259 . . . . 64.340000000000003 103.201 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.0 t -115.6 128.17 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 106.153 -1.795 . . . . 75.129999999999995 106.153 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.95 -44.75 96.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 114.727 1.38 . . . . 73.010000000000005 114.727 173.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.38 -38.78 92.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.225 1.81 . . . . 75.219999999999999 112.978 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.63 89.93 42.13 Favored Pre-proline 0 C--N 1.349 0.554 0 CA-C-O 118.699 -0.667 . . . . 61.32 109.98 -158.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -69.35 -13.16 35.23 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.742 2.295 . . . . 75.319999999999993 112.73 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.0 m -67.65 -44.36 78.07 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.994 1.318 . . . . 63.520000000000003 110.482 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -45.14 95.45 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 124.156 0.982 . . . . 53.140000000000001 111.822 169.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' ILE . 77.2 m -56.58 -46.45 80.79 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 112.935 0.716 . . . . 72.109999999999999 112.935 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -46.69 74.12 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 117.392 2.367 . . . . 74.430000000000007 117.392 169.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -44.61 88.0 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.238 -1.539 . . . . 74.010000000000005 112.784 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.97 -41.7 99.62 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.902 0.881 . . . . 71.109999999999999 109.695 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.42 -46.52 85.98 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 121.603 -0.685 . . . . 73.209999999999994 112.061 175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.825 1.25 . . . . 61.43 110.837 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -72.64 -27.38 62.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 119.309 -0.377 . . . . 72.439999999999998 110.96 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.86 -46.75 56.85 Favored 'General case' 0 C--N 1.369 1.45 0 O-C-N 120.73 -1.231 . . . . 75.340000000000003 113.466 166.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.1 t80 -55.64 -47.39 76.72 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 114.879 1.436 . . . . 61.450000000000003 114.879 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -62.46 -33.15 74.26 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 121.979 0.895 . . . . 71.530000000000001 110.856 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.26 98.46 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 122.478 1.132 . . . . 64.530000000000001 111.703 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -67.64 -46.23 73.03 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 115.279 1.585 . . . . 75.519999999999996 115.279 173.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 40.1 pt -67.48 -21.2 27.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 118.596 -2.565 . . . . 55.409999999999997 115.453 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -61.78 -41.23 97.46 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.751 1.22 . . . . 75.420000000000002 111.612 168.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -76.02 -24.42 55.24 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 121.742 0.782 . . . . 32.32 113.103 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.6 mt -68.86 154.05 42.71 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.419 2.288 . . . . 64.450000000000003 115.508 -172.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -84.05 0.17 49.3 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 124.994 1.318 . . . . 61.350000000000001 111.836 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -134.79 155.98 49.66 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.237 -1.764 . . . . 72.150000000000006 106.237 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.39 37.75 Favored Pre-proline 0 N--CA 1.444 -0.767 0 CA-C-O 118.504 -0.76 . . . . 71.129999999999995 111.141 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.58 151.79 70.12 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.623 2.215 . . . . 74.510000000000005 109.532 157.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.3 p -84.46 168.86 15.1 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 106.968 -1.493 . . . . 61.420000000000002 106.968 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.52 -29.34 70.49 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.277 -1.515 . . . . 74.209999999999994 113.09 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.32 -38.4 83.59 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.988 0.915 . . . . 72.319999999999993 111.858 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.46 -45.38 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 C-N-CA 127.474 2.309 . . . . 74.299999999999997 111.144 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.58 84.72 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.416 -1.427 . . . . 72.430000000000007 113.966 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.35 -30.19 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 C-N-CA 118.298 -1.361 . . . . 74.420000000000002 109.101 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.45 -43.04 99.18 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-O 119.273 -0.737 . . . . 74.120000000000005 114.219 -173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.92 -35.35 79.79 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.446 1.623 . . . . 74.430000000000007 113.038 178.017 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 119' ' ' PHE . 52.2 mt -63.39 -51.11 67.18 Favored 'General case' 0 CA--C 1.474 -1.952 0 C-N-CA 124.721 1.209 . . . . 74.439999999999998 112.434 172.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.3 mt -70.03 -40.9 74.91 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 114.281 -1.327 . . . . 74.040000000000006 111.706 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.82 92.18 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 120.267 -1.521 . . . . 75.120000000000005 114.094 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -96.92 29.62 3.0 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 120.835 -1.166 . . . . 73.239999999999995 111.496 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.1 t . . . . . 0 C--O 1.265 1.88 0 O-C-N 119.761 -1.837 . . . . 62.329999999999998 113.474 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.518 2.967 0 N-CA-C 115.162 1.541 . . . . 73.200000000000003 115.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.69 74.43 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.272 1.582 . . . . 74.409999999999997 115.272 -172.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -95.43 8.11 44.21 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.307 -0.871 . . . . 75.430000000000007 112.759 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.4 t -104.88 -57.52 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 N-CA-C 105.564 -2.013 . . . . 73.409999999999997 105.564 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 75.9 mtm 68.85 -40.43 0.44 Allowed 'General case' 0 N--CA 1.434 -1.229 1 C-N-CA 133.195 4.598 . . . . 60.420000000000002 112.68 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -66.2 157.08 32.3 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 116.03 1.863 . . . . 64.140000000000001 116.03 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.91 -40.67 87.76 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.199 1.799 . . . . 73.400000000000006 114.873 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -143.98 166.11 25.88 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.526 -0.734 . . . . 71.109999999999999 110.881 -166.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.2 t -130.16 155.97 45.34 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 105.919 -1.882 . . . . 65.319999999999993 105.919 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.6 mt -111.02 129.86 65.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.139 0.976 . . . . 61.020000000000003 108.475 -169.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -77.63 164.26 25.49 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 114.297 1.221 . . . . 65.450000000000003 114.297 -171.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.67 -39.0 76.09 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 128.343 2.657 . . . . 62.140000000000001 112.567 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.69 -28.55 69.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 117.091 2.256 . . . . 74.099999999999994 117.091 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.05 -45.81 91.46 Favored Pre-proline 0 C--N 1.356 0.859 0 CA-C-O 116.241 -1.837 . . . . 74.129999999999995 114.564 -176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.91 -27.35 37.0 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 CA-C-N 125.272 2.918 . . . . 74.530000000000001 112.881 167.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.8 ttt -72.16 -42.77 65.55 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.596 1.089 . . . . 73.430000000000007 111.741 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -70.41 -32.26 69.81 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.179 0.992 . . . . 70.349999999999994 112.07 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.77 96.27 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 121.171 -0.956 . . . . 70.329999999999998 111.956 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -71.57 -2.27 16.42 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.907 1.283 . . . . 71.040000000000006 114.455 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.16 -49.11 7.99 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.426 -2.046 . . . . 74.430000000000007 110.378 163.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.67 -36.92 36.99 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.206 -1.559 . . . . 75.099999999999994 114.65 -173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.43 -37.94 79.39 Favored 'General case' 0 CA--C 1.495 -1.148 0 C-N-CA 127.59 2.356 . . . . 53.329999999999998 110.351 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.64 -9.57 49.12 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.206 -1.361 . . . . 60.329999999999998 109.376 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.15 46.51 15.89 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 126.802 2.041 . . . . 64.409999999999997 113.268 -175.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.94 156.89 49.63 Favored Pre-proline 0 C--N 1.348 0.525 0 C-N-CA 124.232 1.013 . . . . 74.129999999999995 108.912 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.451 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.8 Cg_endo -75.27 166.5 28.75 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.49 2.127 . . . . 64.209999999999994 113.719 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.75 -25.69 68.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.723 2.409 . . . . 74.409999999999997 110.343 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -29.22 69.18 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 126.333 1.853 . . . . 74.420000000000002 114.418 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG11 ' CD ' ' A' ' 47' ' ' GLU . 4.6 m -103.15 -26.52 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 118.741 -1.184 . . . . 61.439999999999998 110.935 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -64.91 -28.3 69.44 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 118.551 -2.593 . . . . 74.129999999999995 111.239 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -74.18 -18.62 60.74 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-O 122.004 0.907 . . . . 53.310000000000002 113.197 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -72.6 -30.05 64.03 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 121.365 -0.834 . . . . 73.099999999999994 110.842 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.405 ' CD2' HG12 ' A' ' 52' ' ' ILE . 14.6 t80 -63.32 -45.48 91.13 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 114.015 1.117 . . . . 74.219999999999999 114.015 172.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 47.4 p90 -71.47 -34.27 70.04 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 120.127 -1.608 . . . . 75.010000000000005 115.137 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.48 -17.25 64.41 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.201 1.4 . . . . 65.129999999999995 114.442 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -58.13 -41.6 84.01 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.885 2.074 . . . . 71.420000000000002 110.973 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -81.71 -8.82 59.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.78 0.832 . . . . 72.530000000000001 111.357 -171.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -64.51 131.21 46.44 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 123.773 0.829 . . . . 63.43 111.459 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.87 135.42 51.06 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.715 -1.866 . . . . 70.310000000000002 112.874 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -12.84 66.91 Favored Glycine 0 C--N 1.352 1.457 0 O-C-N 121.579 -0.7 . . . . 74.409999999999997 112.996 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -88.02 134.85 33.65 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.856 1.328 . . . . 75.209999999999994 112.173 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.64 119.94 38.46 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 123.27 1.509 . . . . 64.129999999999995 108.963 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.1 123.67 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 125.082 1.353 . . . . 74.209999999999994 107.881 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -126.71 5.28 6.72 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.453 1.101 . . . . 74.430000000000007 111.375 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -87.05 134.47 33.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.384 1.073 . . . . 74.340000000000003 111.86 -167.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -59.76 -32.7 70.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 126.505 1.922 . . . . 63.009999999999998 113.533 -173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.8 mt-10 -63.01 -30.13 71.36 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 116.502 2.038 . . . . 72.049999999999997 116.502 169.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.84 89.23 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 118.612 0.642 . . . . 73.219999999999999 111.359 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.19 97.13 Favored Glycine 0 CA--C 1.488 -1.606 0 O-C-N 120.513 -1.367 . . . . 72.129999999999995 112.949 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.317 1.047 . . . . 74.340000000000003 110.977 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.31 -42.44 84.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 O-C-N 121.278 -0.888 . . . . 74.019999999999996 111.95 172.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.8 mt -60.12 -45.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 120.76 -1.213 . . . . 72.340000000000003 112.418 -174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.89 -28.47 67.54 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.917 1.451 . . . . 72.129999999999995 114.917 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.9 t -64.44 -41.17 96.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.135 1.774 . . . . 55.0 112.695 173.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.61 -38.75 85.74 Favored 'General case' 0 C--N 1.367 1.338 0 CA-C-N 122.405 2.366 . . . . 74.25 112.782 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.35 -36.87 66.77 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 126.051 1.74 . . . . 74.329999999999998 114.404 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.81 -18.43 44.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.234 -0.916 . . . . 71.129999999999995 112.144 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -112.67 33.52 4.93 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.037 1.735 . . . . 70.010000000000005 112.707 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.434 HD22 HD13 ' A' ' 68' ' ' LEU . 96.5 mt -78.75 -23.8 45.17 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 119.889 -1.757 . . . . 75.409999999999997 110.692 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.96 -25.56 67.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 126.766 2.026 . . . . 71.25 111.359 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -28.97 65.8 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 127.405 2.282 . . . . 51.530000000000001 111.55 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD12 HD13 ' A' ' 68' ' ' LEU . 66.1 mt -68.86 161.56 28.37 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.961 2.104 . . . . 71.299999999999997 112.833 -173.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -63.75 131.43 47.85 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.087 -1.008 . . . . 72.209999999999994 112.64 -177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.91 -27.28 69.26 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.623 -1.298 . . . . 61.450000000000003 113.306 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -57.22 -35.05 69.2 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.711 -1.243 . . . . 75.340000000000003 113.396 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.19 -12.72 59.11 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 120.618 -1.301 . . . . 63.32 112.708 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 62.08 27.02 16.31 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 127.976 2.51 . . . . 75.129999999999995 116.45 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -81.13 122.53 27.47 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.01 -1.681 . . . . 74.049999999999997 111.453 178.231 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.58 144.76 36.02 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.59 -2.004 . . . . 74.340000000000003 105.59 165.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.96 138.64 54.74 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.692 1.711 . . . . 75.409999999999997 115.152 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.95 -12.31 69.46 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 112.594 -2.094 . . . . 61.100000000000001 114.725 -172.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 31.16 6.36 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.861 1.331 . . . . 64.010000000000005 110.985 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.11 88.72 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 114.341 1.237 . . . . 71.340000000000003 114.341 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.0 mtp -61.7 -40.42 94.96 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 119.606 1.094 . . . . 72.409999999999997 112.768 -175.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.23 -44.87 67.69 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 113.038 0.755 . . . . 71.239999999999995 113.038 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.54 -48.14 83.1 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.789 2.035 . . . . 74.299999999999997 113.047 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.05 94.18 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 121.074 -1.016 . . . . 71.420000000000002 113.331 -176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.9 -35.15 79.71 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.908 1.077 . . . . 73.519999999999996 113.908 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.21 -28.19 68.97 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.76 -1.213 . . . . 55.140000000000001 112.631 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -94.81 14.15 22.32 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 125.915 1.686 . . . . 74.150000000000006 114.529 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.89 -1.54 63.41 Favored Glycine 0 C--N 1.35 1.357 0 O-C-N 121.128 -0.982 . . . . 50.310000000000002 114.075 167.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.19 140.69 58.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 118.472 1.136 . . . . 74.120000000000005 111.581 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -80.99 169.82 17.03 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 119.525 -1.984 . . . . 74.439999999999998 108.169 168.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.74 -34.81 79.21 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.605 -1.309 . . . . 63.229999999999997 112.62 -172.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.7 86.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 126.362 1.865 . . . . 63.25 112.538 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -68.07 -39.25 83.0 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.482 1.113 . . . . 75.540000000000006 112.341 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.21 87.41 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 123.651 0.78 . . . . 72.230000000000004 112.985 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.54 -28.4 65.97 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.869 -1.144 . . . . 74.400000000000006 111.976 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.05 -43.0 99.54 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 115.314 1.598 . . . . 71.340000000000003 115.314 170.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.2 mt -63.35 -41.62 98.86 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 121.622 2.01 . . . . 73.420000000000002 112.181 176.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -63.99 -39.97 95.33 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.756 -1.215 . . . . 74.019999999999996 112.006 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.09 -42.42 96.95 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.35 -1.468 . . . . 50.119999999999997 112.549 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.66 -45.28 94.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 124.513 1.125 . . . . 72.120000000000005 109.925 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -59.76 -53.81 53.66 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 121.787 -0.57 . . . . 72.140000000000001 111.61 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -74.01 -24.88 59.63 Favored 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 120.738 -1.226 . . . . 71.519999999999996 111.476 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 t -64.92 -43.86 91.43 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-O 122.715 1.245 . . . . 73.400000000000006 111.714 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.477 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.96 -32.25 73.36 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.669 1.359 . . . . 54.039999999999999 114.669 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.49 -26.55 67.98 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 125.174 1.389 . . . . 74.319999999999993 112.312 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -77.37 -42.84 34.91 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 126.08 1.752 . . . . 63.140000000000001 110.164 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 97' ' ' CYS . 21.1 m -83.9 -34.87 10.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.367 0.667 . . . . 72.420000000000002 112.391 -171.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.43 155.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 122.726 1.25 . . . . 72.319999999999993 114.103 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -67.14 123.57 20.66 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.882 -1.136 . . . . 72.099999999999994 111.718 164.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -104.39 132.29 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 C-N-CA 128.822 2.849 . . . . 73.319999999999993 103.767 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -112.68 128.21 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 N-CA-C 106.103 -1.814 . . . . 51.25 106.103 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.3 89.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.245 1.202 . . . . 73.510000000000005 114.245 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -64.25 -38.08 89.78 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.778 1.631 . . . . 61.100000000000001 114.583 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -130.56 98.89 19.42 Favored Pre-proline 0 N--CA 1.445 -0.72 0 CA-C-O 117.58 -1.2 . . . . 63.140000000000001 109.15 -162.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.77 -13.97 38.1 Favored 'Trans proline' 0 C--N 1.326 -0.629 0 CA-C-N 124.048 2.482 . . . . 71.120000000000005 112.628 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.9 m -70.2 -45.13 67.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.102 1.361 . . . . 54.340000000000003 110.909 -174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -45.09 96.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.922 -1.111 . . . . 72.5 112.007 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -56.72 -46.38 81.32 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.444 0.565 . . . . 50.329999999999998 111.733 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.82 -48.77 70.58 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.712 -1.242 . . . . 74.129999999999995 113.82 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -45.45 78.03 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.817 1.247 . . . . 70.200000000000003 112.847 -177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.36 -41.11 98.34 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.027 0.931 . . . . 64.239999999999995 109.375 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.02 -46.8 85.88 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.472 -0.767 . . . . 53.439999999999998 112.564 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.26 99.47 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 124.381 1.072 . . . . 70.239999999999995 111.072 -173.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -71.09 -29.48 65.35 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.025 -0.534 . . . . 73.349999999999994 111.674 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 44.4 t -69.58 -46.67 65.81 Favored 'General case' 0 C--N 1.37 1.485 0 CA-C-N 120.383 1.447 . . . . 64.310000000000002 113.7 166.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.2 t80 -55.63 -48.07 75.56 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.029 1.492 . . . . 72.439999999999998 115.029 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.2 tptt -62.01 -31.8 72.23 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.628 1.171 . . . . 60.130000000000003 112.344 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.63 98.43 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.249 1.023 . . . . 75.010000000000005 112.189 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -68.19 -46.27 71.12 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.17 1.388 . . . . 75.420000000000002 114.259 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 126' ' ' LEU . 15.3 pt -66.17 -22.57 30.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 119.07 -2.269 . . . . 74.120000000000005 114.39 175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -62.58 -37.24 85.41 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.546 1.138 . . . . 73.150000000000006 111.752 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.28 -26.21 58.59 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.986 0.914 . . . . 74.049999999999997 112.664 -174.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.4 mt -68.9 151.23 46.83 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.478 2.311 . . . . 75.420000000000002 115.483 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -84.59 0.03 51.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 113.748 -1.569 . . . . 53.130000000000003 112.563 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -131.02 154.99 47.6 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 106.47 -1.678 . . . . 72.140000000000001 106.47 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.64 117.68 42.16 Favored Pre-proline 0 N--CA 1.443 -0.806 0 CA-C-O 118.508 -0.758 . . . . 74.530000000000001 111.333 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.07 146.85 65.85 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.26 1.973 . . . . 63.5 108.901 155.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.5 t -79.69 165.44 22.84 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 108.822 -0.807 . . . . 73.310000000000002 108.822 164.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -30.83 71.48 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 120.815 -1.178 . . . . 73.540000000000006 112.31 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.82 -42.08 92.7 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 112.673 0.62 . . . . 75.109999999999999 112.673 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.3 p -84.42 -44.69 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 126.482 1.913 . . . . 73.340000000000003 114.163 174.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.38 82.88 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.342 -0.849 . . . . 73.340000000000003 113.109 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.14 -28.58 12.27 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.139 0 O-C-N 120.925 -1.109 . . . . 70.120000000000005 108.346 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.8 99.78 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.934 -0.925 . . . . 74.439999999999998 113.878 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.98 -36.95 86.07 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.417 1.609 . . . . 72.140000000000001 113.242 174.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 119' ' ' PHE . 59.5 mt -62.52 -51.56 66.92 Favored 'General case' 0 CA--C 1.481 -1.689 0 N-CA-C 113.369 0.877 . . . . 74.430000000000007 113.369 171.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 56' ' ' ALA . 46.6 mt -69.58 -40.06 76.94 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 114.862 -1.063 . . . . 70.319999999999993 111.439 -176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.28 94.22 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.126 -1.609 . . . . 73.0 113.466 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -95.93 32.99 1.77 Allowed 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 121.004 -1.06 . . . . 70.019999999999996 111.363 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.025 -1.672 . . . . 63.25 114.506 179.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 115.312 1.597 . . . . 71.340000000000003 115.312 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -69.29 -35.73 76.31 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.93 1.292 . . . . 73.219999999999999 112.782 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -75.09 -9.23 58.34 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 122.853 1.311 . . . . 73.129999999999995 114.47 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.86 -45.79 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 113.346 -1.752 . . . . 62.539999999999999 110.558 170.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 68.4 mtt -67.29 -40.83 86.12 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 114.818 1.414 . . . . 75.219999999999999 114.818 -148.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.23 129.4 35.87 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.683 0.793 . . . . 73.310000000000002 112.384 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -62.97 -43.78 97.84 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.24 1.416 . . . . 74.519999999999996 114.687 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mmt -94.05 123.79 37.64 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.242 -0.911 . . . . 64.140000000000001 109.309 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.2 t -150.63 177.78 9.72 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.959 -1.497 . . . . 62.420000000000002 106.959 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 tt -120.46 139.27 48.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 124.595 1.158 . . . . 73.319999999999993 108.549 -175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -64.23 -19.3 65.27 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 125.132 1.373 . . . . 73.450000000000003 113.803 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.91 -31.31 69.71 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 127.161 2.184 . . . . 51.520000000000003 111.12 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.0 69.52 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 116.623 2.083 . . . . 62.32 116.623 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -64.58 -46.82 77.2 Favored Pre-proline 0 C--N 1.353 0.718 0 O-C-N 120.536 -1.353 . . . . 72.040000000000006 113.199 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.38 -26.93 40.75 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 CA-C-N 124.077 2.492 . . . . 73.019999999999996 114.747 166.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.2 mtp -64.77 -43.67 92.49 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.079 1.763 . . . . 72.319999999999993 113.567 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.35 -31.51 67.45 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 121.035 -1.04 . . . . 75.299999999999997 111.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.08 94.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 113.329 0.863 . . . . 73.129999999999995 113.329 168.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.3 m -60.21 -44.19 95.35 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.334 0.97 . . . . 73.219999999999999 110.345 175.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -59.3 -42.94 92.51 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 119.638 -1.914 . . . . 72.129999999999995 112.627 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -77.22 -39.74 47.52 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.549 1.314 . . . . 60.509999999999998 114.549 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.59 -39.7 85.02 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 127.589 2.356 . . . . 75.209999999999994 110.209 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -87.7 -6.44 58.21 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.104 -0.953 . . . . 61.340000000000003 110.231 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 56.49 46.22 21.03 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.309 2.244 . . . . 74.540000000000006 113.634 -174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.01 158.2 44.69 Favored Pre-proline 0 C--N 1.349 0.583 0 C-N-CA 124.55 1.14 . . . . 75.040000000000006 108.95 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.487 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.6 Cg_endo -74.5 167.11 27.89 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.536 2.157 . . . . 73.310000000000002 113.418 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.34 -33.42 73.6 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.063 2.545 . . . . 71.25 109.415 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.41 64.58 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 127.84 2.456 . . . . 75.519999999999996 113.784 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.9 m -100.0 -26.47 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 120.631 -1.293 . . . . 72.409999999999997 111.989 -175.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.2 ptm -65.36 -34.19 77.73 Favored 'General case' 0 C--N 1.361 1.099 0 O-C-N 120.551 -1.343 . . . . 73.219999999999999 112.282 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -71.49 -22.64 61.77 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-O 122.256 1.027 . . . . 44.439999999999998 111.88 177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.21 -32.81 72.33 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.189 0.996 . . . . 63.350000000000001 110.782 -178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD2' HG12 ' A' ' 52' ' ' ILE . 10.6 t80 -61.19 -47.36 86.47 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 113.703 1.001 . . . . 74.340000000000003 113.703 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 44.6 p90 -71.68 -30.43 65.68 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 120.068 -1.645 . . . . 75.5 114.704 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -67.87 -5.01 14.58 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 114.494 1.294 . . . . 75.439999999999998 114.494 171.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.69 -41.85 91.64 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 124.827 1.251 . . . . 73.0 109.468 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -79.44 -11.07 59.92 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.734 0.814 . . . . 74.319999999999993 111.581 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -63.45 130.78 45.87 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.68 1.192 . . . . 74.540000000000006 111.761 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.18 134.55 51.94 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 119.923 -1.736 . . . . 73.209999999999994 113.039 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.54 -12.92 65.39 Favored Glycine 0 C--N 1.35 1.358 0 O-C-N 121.654 -0.654 . . . . 73.430000000000007 113.069 -175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -88.37 133.62 34.04 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.083 1.442 . . . . 72.120000000000005 112.046 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.17 123.7 50.26 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.758 1.266 . . . . 71.349999999999994 107.793 164.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.27 123.01 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 C-N-CA 123.949 0.9 . . . . 72.329999999999998 108.615 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -124.03 1.23 8.59 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.133 0.973 . . . . 55.439999999999998 111.83 -170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -87.99 134.54 33.71 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.061 0.944 . . . . 72.430000000000007 112.394 -168.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -60.13 -32.81 71.36 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.274 1.829 . . . . 75.219999999999999 113.677 -173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.8 mt-10 -62.63 -31.69 72.59 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 115.71 1.744 . . . . 70.349999999999994 115.71 169.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.16 -41.92 89.51 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 121.952 0.882 . . . . 72.239999999999995 110.479 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -41.07 99.91 Favored Glycine 0 CA--C 1.492 -1.395 0 C-N-CA 124.466 1.032 . . . . 61.350000000000001 113.76 175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.87 -41.51 95.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.178 0.991 . . . . 65.140000000000001 111.456 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -67.2 -41.22 86.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 120.913 -1.117 . . . . 54.310000000000002 112.153 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 33' ' ' PHE . 42.7 mt -59.06 -45.84 92.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 O-C-N 120.311 -1.493 . . . . 62.130000000000003 113.362 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.03 -29.18 68.91 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 114.367 1.247 . . . . 63.210000000000001 114.367 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.1 t -62.42 -42.36 99.39 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.137 1.375 . . . . 73.319999999999993 112.131 174.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.59 -38.05 83.35 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-N 121.042 1.746 . . . . 73.450000000000003 114.322 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -58.45 -37.74 76.06 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 115.035 1.495 . . . . 64.420000000000002 115.035 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.84 -41.83 77.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.115 0.959 . . . . 64.329999999999998 112.81 167.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -92.02 43.95 1.15 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.573 -1.329 . . . . 75.530000000000001 113.526 -169.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' A' ' 68' ' ' LEU . 88.3 mt -89.35 -23.36 22.25 Favored 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 123.494 1.616 . . . . 65.150000000000006 109.75 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.79 -15.78 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.12 1.368 . . . . 54.43 112.397 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -73.83 -25.88 60.31 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.613 1.965 . . . . 53.420000000000002 111.928 172.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 68' ' ' LEU . 62.2 mt -75.11 162.34 28.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 127.395 2.278 . . . . 63.530000000000001 110.83 -172.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.01 142.51 41.84 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 120.646 -1.284 . . . . 71.340000000000003 112.909 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -63.38 -28.98 70.36 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.88 -1.138 . . . . 64.129999999999995 113.736 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.61 -36.83 72.29 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.541 -1.35 . . . . 61.049999999999997 113.009 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -80.8 -11.52 59.59 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.888 -1.132 . . . . 74.040000000000006 112.737 176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 62.4 25.67 15.31 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 128.033 2.533 . . . . 70.209999999999994 116.546 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -81.75 122.51 27.76 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 119.959 -1.713 . . . . 63.5 111.119 178.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -142.12 154.55 44.98 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.155 -1.794 . . . . 63.25 106.155 167.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -72.36 139.63 48.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 122.746 1.26 . . . . 74.040000000000006 112.704 -174.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.61 -14.33 64.28 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 115.833 1.093 . . . . 70.209999999999994 115.833 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -115.98 45.14 1.79 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.036 1.418 . . . . 73.340000000000003 109.4 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.82 90.63 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 124.742 1.217 . . . . 74.400000000000006 113.248 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.69 -40.6 95.57 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 119.686 1.13 . . . . 71.010000000000005 112.57 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.26 -44.95 74.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.195 0.813 . . . . 64.510000000000005 113.195 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.67 -49.17 78.57 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.137 1.775 . . . . 75.530000000000001 113.342 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.05 96.6 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 124.59 1.156 . . . . 64.409999999999997 112.996 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 96.5 mtp -63.93 -36.03 82.61 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 113.822 1.045 . . . . 72.340000000000003 113.822 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -61.21 -27.8 68.69 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 120.655 -1.278 . . . . 71.230000000000004 112.595 171.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -93.26 13.66 20.6 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 125.668 1.587 . . . . 70.140000000000001 114.458 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.94 -0.58 62.62 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 121.039 -1.038 . . . . 74.329999999999998 114.251 167.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.76 141.42 57.73 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.498 1.149 . . . . 63.549999999999997 111.721 164.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -81.34 168.41 18.43 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.494 -2.004 . . . . 72.099999999999994 107.875 168.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.07 -35.19 80.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.653 -1.279 . . . . 70.140000000000001 112.663 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.52 -43.81 84.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.221 1.808 . . . . 53.439999999999998 112.265 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mmt -70.15 -36.67 74.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.964 -1.085 . . . . 75.140000000000001 112.397 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.03 88.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.247 0.832 . . . . 71.510000000000005 113.247 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -68.75 -27.64 66.09 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.772 -1.205 . . . . 72.439999999999998 112.253 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.96 -42.29 97.99 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 115.152 1.538 . . . . 73.340000000000003 115.152 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.444 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.2 mt -63.04 -41.84 99.61 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 121.641 2.019 . . . . 65.120000000000005 112.264 176.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.03 -40.64 96.77 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.036 -1.04 . . . . 71.030000000000001 111.878 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.53 -42.84 98.41 Favored 'General case' 0 C--N 1.36 1.048 0 O-C-N 120.544 -1.347 . . . . 63.439999999999998 112.526 175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.4 mt -59.39 -45.61 93.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.406 1.083 . . . . 54.109999999999999 110.293 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.92 -56.91 16.15 Favored 'General case' 0 CA--C 1.496 -1.126 0 O-C-N 122.106 -0.371 . . . . 60.0 111.989 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -68.6 -29.51 68.06 Favored 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 121.424 -0.798 . . . . 75.129999999999995 110.865 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -66.42 -43.08 86.71 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 122.246 1.022 . . . . 73.010000000000005 112.219 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.3 m -65.55 -32.06 73.44 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 125.096 1.358 . . . . 73.049999999999997 114.657 174.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.09 -29.62 69.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.021 -1.049 . . . . 70.430000000000007 111.359 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -70.65 -41.34 72.25 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.795 2.438 . . . . 72.409999999999997 110.098 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.4 m -94.55 -28.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 115.675 -0.693 . . . . 70.129999999999995 111.156 -164.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.6 157.09 6.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-O 122.78 1.276 . . . . 55.329999999999998 113.738 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.9 m -69.34 124.07 22.87 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.814 -1.179 . . . . 60.240000000000002 111.757 164.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.4 mt -104.47 131.93 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 0 C-N-CA 129.413 3.085 . . . . 74.510000000000005 103.52 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.34 127.7 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 N-CA-C 106.427 -1.694 . . . . 53.240000000000002 106.427 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.58 94.43 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.762 1.393 . . . . 74.349999999999994 114.762 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.81 -39.08 93.39 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.317 1.847 . . . . 74.400000000000006 112.797 174.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.55 97.95 18.73 Favored Pre-proline 0 C--N 1.349 0.565 0 CA-C-O 118.103 -0.951 . . . . 72.420000000000002 110.857 -159.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.17 -13.7 36.63 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 CA-C-N 123.549 2.303 . . . . 74.310000000000002 112.918 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.37 -45.52 72.56 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.04 1.336 . . . . 64.439999999999998 110.898 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -45.51 93.68 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.353 1.061 . . . . 74.430000000000007 112.609 168.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 m -57.39 -46.41 83.48 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.163 0.892 . . . . 73.150000000000006 112.81 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -46.83 75.5 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 117.667 2.469 . . . . 75.230000000000004 117.667 169.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -44.58 84.03 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.23 -1.544 . . . . 53.020000000000003 112.717 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.75 -41.29 99.13 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.847 0.859 . . . . 71.239999999999995 109.385 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.63 -46.8 84.06 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 121.427 -0.795 . . . . 72.510000000000005 112.521 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.67 97.56 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.608 1.163 . . . . 71.329999999999998 111.038 -174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.0 ptp -67.77 -31.96 72.21 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 116.015 -0.539 . . . . 72.109999999999999 111.482 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.4 t -70.69 -46.61 62.83 Favored 'General case' 0 C--N 1.371 1.522 0 CA-C-N 120.246 1.384 . . . . 73.239999999999995 113.68 169.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -55.75 -48.4 75.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 114.967 1.469 . . . . 70.219999999999999 114.967 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.8 tptt -63.88 -29.63 70.79 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.637 0.732 . . . . 54.32 112.201 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.81 -43.3 99.11 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 122.335 1.064 . . . . 74.340000000000003 111.882 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -67.76 -46.22 72.68 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 125.363 1.465 . . . . 74.549999999999997 114.72 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 126' ' ' LEU . 36.1 pt -66.77 -21.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 O-C-N 118.542 -2.599 . . . . 74.510000000000005 115.78 172.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.11 -37.89 89.0 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.004 0.921 . . . . 74.019999999999996 111.625 168.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -76.17 -25.16 54.98 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 121.416 -0.802 . . . . 74.340000000000003 112.952 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.0 mt -68.19 153.09 44.44 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.215 2.206 . . . . 73.239999999999995 115.178 -174.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -0.17 54.44 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.756 1.222 . . . . 70.140000000000001 111.758 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -131.01 154.88 47.71 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 106.771 -1.566 . . . . 74.230000000000004 106.771 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.97 118.2 42.86 Favored Pre-proline 0 N--CA 1.443 -0.793 0 CA-C-O 118.57 -0.729 . . . . 74.540000000000006 111.352 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.46 152.39 70.83 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.582 2.188 . . . . 74.329999999999998 108.849 156.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.6 p -83.2 167.59 17.57 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 106.419 -1.697 . . . . 43.509999999999998 106.419 172.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.6 -31.54 72.4 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.252 -1.53 . . . . 54.109999999999999 112.526 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -60.65 -40.28 91.46 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.385 -0.822 . . . . 51.32 112.493 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.37 -45.08 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.597 0 C-N-CA 126.266 1.827 . . . . 74.430000000000007 112.285 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.21 84.21 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 113.275 0.842 . . . . 73.519999999999996 113.275 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.94 -27.8 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.081 0 C-N-CA 118.667 -1.213 . . . . 71.510000000000005 108.715 175.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.93 -42.44 99.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.091 -0.838 . . . . 71.120000000000005 113.784 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.444 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.0 mt-10 -64.92 -36.34 84.06 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.216 1.508 . . . . 71.510000000000005 113.451 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . 0.267 59.4 mt -62.51 -53.53 53.33 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 121.366 -0.834 . . . . 72.450000000000003 112.87 172.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 56' ' ' ALA . 62.0 mt -68.6 -39.7 80.76 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 114.808 -1.087 . . . . 73.019999999999996 112.637 -177.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.61 92.37 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.275 -1.515 . . . . 71.409999999999997 113.34 174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -97.03 34.72 1.68 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.349 -0.845 . . . . 63.43 111.272 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 10.3 t . . . . . 0 C--O 1.261 1.677 0 O-C-N 119.978 -1.701 . . . . 63.119999999999997 114.289 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 115.817 1.784 . . . . 74.230000000000004 115.817 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -86.78 117.35 25.47 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.716 -1.24 . . . . 64.409999999999997 110.016 -166.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 58.03 24.25 10.92 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 129.98 3.312 . . . . 63.340000000000003 113.72 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.46 -49.67 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 CA-C-O 121.755 0.788 . . . . 70.25 109.515 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.8 mtm -75.45 -37.52 60.29 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 122.954 1.359 . . . . 60.020000000000003 109.357 -151.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -153.38 170.56 20.39 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 102.859 -3.015 . . . . 74.109999999999999 102.859 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -105.41 121.26 43.55 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.507 -0.923 . . . . 75.5 108.507 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.5 ptm -159.59 162.67 35.36 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.155 -1.424 . . . . 73.230000000000004 107.155 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -143.77 152.91 41.84 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.726 -1.953 . . . . 75.109999999999999 105.726 166.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.33 134.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 124.388 1.075 . . . . 62.020000000000003 111.993 -177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -155.99 -174.7 5.07 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.855 -1.153 . . . . 62.43 108.202 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -67.03 -15.74 63.91 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 115.791 1.774 . . . . 74.409999999999997 115.791 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.93 -31.49 72.69 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 116.646 2.091 . . . . 62.130000000000003 116.646 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.76 -46.99 88.41 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-O 116.528 -1.701 . . . . 72.319999999999993 114.124 -174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.01 -27.58 29.86 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 124.859 2.771 . . . . 54.219999999999999 113.702 165.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.2 tpp -70.41 -42.5 71.56 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.949 1.249 . . . . 73.510000000000005 112.059 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.21 -32.94 71.07 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.42 1.088 . . . . 74.329999999999998 111.81 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.06 95.42 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 121.226 -0.921 . . . . 74.230000000000004 111.694 173.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.0 m -70.5 -1.12 9.92 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.541 1.536 . . . . 75.549999999999997 114.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -47.77 7.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 119.618 -1.926 . . . . 72.400000000000006 110.1 164.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -79.53 -36.73 38.0 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.564 -1.96 . . . . 62.109999999999999 114.599 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -59.35 -38.0 79.28 Favored 'General case' 0 CA--C 1.493 -1.224 0 C-N-CA 128.006 2.522 . . . . 73.329999999999998 110.308 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.77 -7.19 57.63 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.214 -1.357 . . . . 74.409999999999997 109.255 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 m120 57.13 46.04 19.69 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 128.205 2.602 . . . . 70.349999999999994 113.52 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.37 160.57 35.48 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 124.537 1.135 . . . . 44.25 110.56 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.582 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.1 Cg_endo -72.0 163.73 37.89 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.582 2.188 . . . . 71.129999999999995 113.387 170.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.99 -25.84 68.04 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.575 2.75 . . . . 65.219999999999999 109.862 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.07 77.63 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.092 1.757 . . . . 42.32 113.14 174.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.7 m -83.08 -34.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 O-C-N 120.262 -1.524 . . . . 71.140000000000001 112.598 -175.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -68.5 -31.78 71.29 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 119.835 -1.791 . . . . 71.299999999999997 111.542 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.55 -16.53 60.25 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 121.187 -0.946 . . . . 73.230000000000004 112.366 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.9 -37.71 80.2 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.362 -0.836 . . . . 71.209999999999994 112.578 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.61 -40.62 92.49 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.052 1.13 . . . . 74.519999999999996 114.052 169.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -65.36 -42.34 92.89 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 119.769 -1.832 . . . . 62.329999999999998 113.642 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -65.16 -24.99 67.55 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 127.127 2.171 . . . . 53.0 114.483 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.4 -40.16 74.19 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 127.597 2.359 . . . . 74.420000000000002 111.887 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -79.46 -10.75 59.86 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.716 0.806 . . . . 72.340000000000003 111.998 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -63.75 130.8 45.71 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 121.274 -0.891 . . . . 62.329999999999998 112.018 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.79 130.57 43.4 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.248 -1.533 . . . . 72.129999999999995 111.546 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.71 -12.2 70.38 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 121.685 -0.635 . . . . 52.030000000000001 113.832 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -86.79 135.29 33.41 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.155 1.478 . . . . 70.239999999999995 112.944 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.29 119.38 38.71 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 123.143 1.449 . . . . 64.120000000000005 109.043 167.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.0 mm -101.82 123.23 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 124.743 1.217 . . . . 73.409999999999997 108.467 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.0 p -126.88 10.74 7.07 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.007 1.323 . . . . 71.420000000000002 110.042 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -86.12 126.94 34.57 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.319 1.048 . . . . 72.230000000000004 108.742 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.66 -34.73 71.55 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.493 1.917 . . . . 72.129999999999995 113.056 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -68.06 -24.03 65.02 Favored 'General case' 0 CA--C 1.481 -1.702 0 N-CA-C 117.986 2.587 . . . . 73.439999999999998 117.986 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.79 68.44 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 119.762 1.165 . . . . 53.409999999999997 109.078 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.22 99.28 Favored Glycine 0 CA--C 1.492 -1.381 0 C-N-CA 124.807 1.194 . . . . 52.420000000000002 114.648 169.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.9 -37.45 81.73 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 119.183 1.492 . . . . 73.409999999999997 111.79 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.88 -41.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 O-C-N 121.119 -0.988 . . . . 64.209999999999994 112.052 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.0 mt -59.77 -46.82 93.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 O-C-N 120.419 -1.426 . . . . 63.350000000000001 112.748 -175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.4 -27.21 66.02 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 114.81 1.411 . . . . 64.409999999999997 114.81 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.481 ' N ' HD12 ' A' ' 53' ' ' LEU . 46.5 t -63.58 -44.62 93.51 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.928 1.291 . . . . 75.519999999999996 111.994 172.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.92 -38.2 90.02 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 121.492 1.951 . . . . 63.219999999999999 113.274 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.89 -36.69 72.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 115.363 1.616 . . . . 65.239999999999995 115.363 -174.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.32 -41.75 63.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.833 0.825 . . . . 71.329999999999998 112.455 167.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -91.28 48.39 1.49 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.618 -1.301 . . . . 70.0 113.479 -169.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 68' ' ' LEU . 83.9 mt -94.25 -10.63 32.3 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 123.714 1.721 . . . . 71.109999999999999 108.98 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.2 -32.47 73.87 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 128.122 2.569 . . . . 61.329999999999998 109.701 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.17 -28.07 66.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.224 3.01 . . . . 73.349999999999994 111.519 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' LEU . 73.6 mt -71.75 158.92 35.25 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.399 2.28 . . . . 73.319999999999993 111.642 -175.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.71 148.73 28.82 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 120.832 -1.167 . . . . 53.329999999999998 110.369 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -61.25 -31.78 71.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.33 1.233 . . . . 72.129999999999995 114.33 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.19 -29.47 68.72 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.635 -1.291 . . . . 72.349999999999994 114.335 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.2 ptp -84.55 -6.94 59.41 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.704 1.138 . . . . 74.230000000000004 112.343 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.3 m120 65.57 16.89 10.72 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.794 2.838 . . . . 74.099999999999994 116.129 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -85.26 122.76 29.91 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 119.953 -1.717 . . . . 72.510000000000005 110.976 -176.219 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -140.5 151.3 44.69 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 106.565 -1.642 . . . . 74.329999999999998 106.565 165.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' HE1' HG22 ' A' ' 143' ' ' THR . 10.9 t60 -65.47 132.85 49.97 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.168 0.987 . . . . 73.5 111.03 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.49 -14.72 58.94 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 124.21 0.91 . . . . 63.210000000000001 114.77 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -100.92 23.64 10.38 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.228 1.411 . . . . 72.430000000000007 111.392 -167.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -41.95 78.84 Favored 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 125.677 1.591 . . . . 71.510000000000005 114.136 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 65.4 mtt -60.87 -39.62 89.89 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.866 0.757 . . . . 71.140000000000001 112.415 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -75.24 -44.37 46.47 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.538 0.735 . . . . 74.319999999999993 112.893 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.91 -47.78 84.37 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.074 2.149 . . . . 64.150000000000006 113.212 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.18 95.65 Favored 'General case' 0 N--CA 1.438 -1.07 0 O-C-N 121.127 -0.983 . . . . 65.25 112.98 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.77 -36.52 84.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.189 0.996 . . . . 72.010000000000005 113.607 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -61.61 -28.46 69.38 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.825 -1.172 . . . . 73.230000000000004 112.596 172.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.59 13.74 23.19 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.739 1.616 . . . . 74.439999999999998 114.775 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.6 1.34 64.0 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.017 -1.052 . . . . 74.25 114.346 167.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.25 140.96 57.39 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.487 1.144 . . . . 60.109999999999999 111.006 163.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -82.77 171.59 13.79 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.756 -1.84 . . . . 73.030000000000001 108.396 170.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.87 -32.71 74.54 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.393 -1.442 . . . . 53.509999999999998 112.903 -171.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.8 -45.81 73.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.778 1.631 . . . . 72.420000000000002 112.249 174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -64.37 -40.93 96.82 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.427 1.891 . . . . 64.129999999999995 113.377 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.97 88.09 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.919 0.866 . . . . 74.510000000000005 112.841 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -27.52 61.83 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.567 -1.333 . . . . 74.200000000000003 111.99 175.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.8 -43.13 98.53 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.466 1.654 . . . . 75.219999999999999 115.466 170.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.45 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.28 -40.94 98.8 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 121.866 2.121 . . . . 74.420000000000002 112.168 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.18 -40.45 96.13 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.987 -1.071 . . . . 71.25 112.008 172.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.669 ' HA ' ' HD2' ' A' ' 95' ' ' HIS . 39.0 t70 -65.02 -40.26 94.62 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.122 1.369 . . . . 70.310000000000002 113.867 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.39 -45.84 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 O-C-N 120.616 -1.303 . . . . 70.540000000000006 110.469 174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -66.67 -44.5 81.63 Favored 'General case' 0 CA--C 1.492 -1.259 0 C-N-CA 118.569 -1.252 . . . . 63.329999999999998 109.023 -171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 92' ' ' ASP . 2.4 p80 -64.73 -34.79 79.14 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.812 1.292 . . . . 71.150000000000006 108.382 -171.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 t -66.08 -39.76 90.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 113.334 -1.757 . . . . 42.340000000000003 112.248 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.5 ' HA ' HG22 ' A' ' 100' ' ' VAL . 36.1 m -69.72 -36.83 76.22 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.209 1.189 . . . . 73.030000000000001 114.209 169.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.43 -32.49 71.41 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.665 -1.272 . . . . 51.329999999999998 112.118 -172.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -82.93 -20.08 36.01 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.617 1.167 . . . . 64.129999999999995 111.758 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.8 m -100.85 -32.13 3.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.161 0 O-C-N 121.492 -0.755 . . . . 54.149999999999999 111.248 -177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -69.78 154.22 8.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 122.811 1.291 . . . . 65.0 114.36 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -66.7 126.34 28.68 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.911 -1.118 . . . . 54.109999999999999 112.093 165.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.416 HG12 HG23 ' A' ' 111' ' ' THR . 72.9 mt -111.32 132.46 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 C-N-CA 129.298 3.039 . . . . 74.129999999999995 103.317 176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 t -115.45 127.72 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 105.926 -1.879 . . . . 61.049999999999997 105.926 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.42 91.84 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.404 1.261 . . . . 73.340000000000003 114.404 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -64.9 -37.89 89.16 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.532 1.533 . . . . 71.140000000000001 114.309 175.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -128.56 92.24 41.27 Favored Pre-proline 0 C--N 1.35 0.614 0 CA-C-O 118.017 -0.992 . . . . 64.310000000000002 109.565 -163.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.87 -13.54 38.77 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 C-N-CA 122.635 2.224 . . . . 75.230000000000004 112.676 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 84.7 m -67.79 -44.13 78.09 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.125 1.37 . . . . 70.049999999999997 110.733 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -44.7 95.54 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.575 1.15 . . . . 61.039999999999999 111.138 173.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.416 HG23 HG12 ' A' ' 103' ' ' ILE . 79.3 m -56.45 -46.87 80.1 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 112.658 0.614 . . . . 74.519999999999996 112.658 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -46.78 76.53 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 116.579 2.066 . . . . 74.299999999999997 116.579 171.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -45.06 87.97 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.465 -1.397 . . . . 72.519999999999996 112.875 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.23 -41.82 99.16 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.009 0.923 . . . . 73.109999999999999 109.828 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.94 -46.8 86.04 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 121.628 -0.67 . . . . 62.240000000000002 112.161 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.91 98.91 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.885 1.274 . . . . 53.210000000000001 110.414 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -73.86 -28.89 61.81 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 110.761 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 45.9 t -70.22 -46.12 65.14 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 120.678 -1.264 . . . . 74.340000000000003 113.422 166.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.7 t80 -55.0 -47.45 74.65 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 115.255 1.576 . . . . 74.430000000000007 115.255 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 123' ' ' ILE . 33.3 ttpt -61.56 -33.15 73.35 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-O 122.077 0.942 . . . . 61.149999999999999 110.951 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -61.84 -42.56 99.19 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 122.481 1.134 . . . . 64.019999999999996 112.118 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -68.82 -46.15 69.37 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 125.084 1.354 . . . . 71.25 114.467 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.832 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -66.33 -22.54 30.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 O-C-N 119.139 -2.226 . . . . 72.5 114.29 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -61.77 -40.85 96.6 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.697 1.199 . . . . 60.439999999999998 111.683 169.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -72.02 -27.49 62.76 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.927 0.891 . . . . 61.100000000000001 113.218 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.0 mt -68.16 152.09 46.01 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 127.055 2.142 . . . . 75.219999999999999 115.389 -171.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -87.34 1.02 54.53 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 124.875 1.27 . . . . 63.210000000000001 111.754 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.5 p-90 -130.48 154.84 47.35 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 106.521 -1.659 . . . . 75.239999999999995 106.521 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.34 118.65 43.48 Favored Pre-proline 0 N--CA 1.445 -0.702 0 CA-C-O 118.551 -0.738 . . . . 62.450000000000003 111.66 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -70.5 153.87 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.505 2.137 . . . . 52.140000000000001 108.803 155.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.9 p -84.22 168.18 15.97 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 106.27 -1.752 . . . . 74.400000000000006 106.27 171.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.97 -33.36 74.15 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.235 -1.54 . . . . 63.399999999999999 112.471 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -60.4 -40.68 91.79 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.419 -0.801 . . . . 55.329999999999998 112.277 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.37 -45.26 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 126.278 1.831 . . . . 63.420000000000002 112.881 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -62.35 -47.07 85.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 121.399 -0.813 . . . . 34.329999999999998 113.007 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.25 -29.87 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 119.02 -1.072 . . . . 54.350000000000001 108.663 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.78 99.56 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 121.53 -0.731 . . . . 31.52 114.047 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.45 ' OE1' HD12 ' A' ' 90' ' ' LEU . 14.6 mt-10 -64.24 -38.27 90.43 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.583 1.191 . . . . 74.200000000000003 113.208 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 119' ' ' PHE . 43.9 mt -64.71 -50.45 66.9 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.438 1.095 . . . . 74.0 113.315 173.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 56' ' ' ALA . 52.6 mt -67.81 -39.37 83.98 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.934 -1.03 . . . . 62.240000000000002 111.735 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.04 95.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 114.584 1.327 . . . . 72.120000000000005 114.584 171.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -98.15 38.29 1.34 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.607 -1.308 . . . . 72.519999999999996 112.106 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.528 HG22 ' HE1' ' A' ' 70' ' ' HIS . 15.2 t . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.544 -1.972 . . . . 74.140000000000001 112.916 174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 116.202 1.927 . . . . 75.409999999999997 116.202 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -87.28 118.07 26.46 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.707 -1.245 . . . . 73.540000000000006 110.188 -169.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 59.15 19.62 7.6 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 129.854 3.261 . . . . 71.540000000000006 114.596 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 83.5 t -76.11 -45.98 34.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 C-N-CA 125.737 1.615 . . . . 62.520000000000003 110.707 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.9 mmm -65.79 -41.53 91.85 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.197 -1.365 . . . . 72.409999999999997 113.587 -146.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -125.17 127.78 47.34 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 104.742 -2.318 . . . . 74.340000000000003 104.742 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.82 135.56 54.1 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 114.038 1.125 . . . . 55.240000000000002 114.038 -170.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -77.81 152.28 33.56 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.154 0.978 . . . . 73.230000000000004 112.494 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -139.04 154.32 48.21 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 104.453 -2.425 . . . . 73.129999999999995 104.453 168.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -125.75 -33.96 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 114.532 1.308 . . . . 70.310000000000002 114.532 -161.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -80.07 144.36 33.21 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 119.521 -1.987 . . . . 71.209999999999994 114.207 -165.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -62.92 -23.89 67.59 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 116.008 1.855 . . . . 72.140000000000001 116.008 -172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.28 -24.43 62.15 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 115.326 1.602 . . . . 62.240000000000002 115.326 172.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.1 -44.48 84.44 Favored Pre-proline 0 N--CA 1.445 -0.716 0 CA-C-O 116.386 -1.768 . . . . 71.0 114.148 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -67.96 -27.26 36.77 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 CA-C-N 125.085 2.852 . . . . 72.219999999999999 113.472 168.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.9 mtp -68.81 -43.41 75.66 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.372 1.442 . . . . 75.099999999999994 112.569 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.23 -31.56 67.71 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 121.335 -0.853 . . . . 75.349999999999994 111.992 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.62 92.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.237 1.015 . . . . 63.310000000000002 112.565 173.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.0 m -75.73 -0.15 19.86 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.29 . . . . 65.219999999999999 113.239 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -86.77 -48.38 8.29 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 119.425 -2.047 . . . . 72.409999999999997 109.869 164.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -81.18 -36.14 30.53 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.071 -1.643 . . . . 74.430000000000007 114.367 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -59.43 -38.25 80.18 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 127.158 2.183 . . . . 73.439999999999998 110.919 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.23 -9.52 52.7 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 113.865 -1.516 . . . . 63.109999999999999 109.215 -173.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.24 46.82 15.14 Favored 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.965 2.106 . . . . 63.420000000000002 113.226 -175.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.27 157.07 47.99 Favored Pre-proline 0 C--N 1.347 0.461 0 C-N-CA 124.467 1.107 . . . . 55.420000000000002 108.702 -176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.5 Cg_endo -75.07 167.02 27.91 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.423 2.082 . . . . 55.409999999999997 113.103 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -64.08 -24.76 67.82 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 128.361 2.664 . . . . 71.519999999999996 109.985 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.98 69.65 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 126.987 2.115 . . . . 41.409999999999997 113.637 175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.5 m -104.59 -24.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 118.642 -1.223 . . . . 72.129999999999995 111.735 -171.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -67.56 -30.45 70.08 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.158 -1.589 . . . . 42.140000000000001 110.892 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.528 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.6 pp0? -73.66 -21.08 60.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.795 0.807 . . . . 62.5 112.176 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.18 -38.17 85.56 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.284 -0.885 . . . . 53.310000000000002 112.585 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.2 t80 -59.93 -44.24 94.45 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 114.304 1.224 . . . . 75.019999999999996 114.304 174.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 46.5 p90 -72.37 -33.91 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 116.349 1.981 . . . . 72.519999999999996 116.349 175.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.32 -19.98 65.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.922 1.689 . . . . 64.319999999999993 114.91 169.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -57.44 -41.14 79.88 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.135 2.174 . . . . 73.349999999999994 111.252 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -76.52 -12.93 60.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.41 1.084 . . . . 64.120000000000005 111.805 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -63.67 127.61 32.13 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 121.926 0.87 . . . . 62.530000000000001 112.517 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.79 130.51 43.02 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 120.254 -1.529 . . . . 73.319999999999993 110.901 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.03 -7.85 76.28 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 119.486 -0.619 . . . . 52.539999999999999 113.779 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -96.38 137.29 35.67 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 119.555 1.677 . . . . 60.409999999999997 112.822 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.43 125.28 53.09 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.922 1.344 . . . . 73.349999999999994 107.647 165.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.27 123.07 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 125.244 1.417 . . . . 74.349999999999994 107.483 166.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.1 p -121.27 1.61 10.24 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.98 1.312 . . . . 42.149999999999999 110.9 -172.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -90.1 132.4 35.44 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.052 0.941 . . . . 70.530000000000001 111.642 -165.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.26 -32.52 71.25 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.711 1.604 . . . . 72.200000000000003 113.9 -174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.4 mt-10 -62.18 -29.12 70.14 Favored 'General case' 0 CA--C 1.493 -1.238 0 N-CA-C 115.597 1.703 . . . . 62.25 115.597 170.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.08 86.58 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 118.702 0.683 . . . . 74.439999999999998 112.085 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.95 92.96 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 120.154 -1.591 . . . . 74.140000000000001 113.17 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.9 m -63.55 -41.76 98.41 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.478 1.111 . . . . 64.129999999999995 110.73 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.11 -42.32 84.93 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 O-C-N 121.445 -0.784 . . . . 61.450000000000003 111.831 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.407 HG12 ' CD2' ' A' ' 33' ' ' PHE . 49.3 mt -59.87 -46.2 94.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 O-C-N 120.701 -1.249 . . . . 64.010000000000005 112.966 -174.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.29 -29.16 68.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 113.711 1.004 . . . . 65.239999999999995 113.711 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.04 -41.68 99.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.912 1.685 . . . . 32.32 112.56 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.09 -37.28 79.48 Favored 'General case' 0 C--N 1.37 1.461 0 CA-C-N 121.241 1.837 . . . . 73.140000000000001 113.857 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.46 -38.29 68.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 115.043 1.497 . . . . 75.010000000000005 115.043 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -69.06 -38.59 79.15 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.042 0.925 . . . . 62.329999999999998 113.247 170.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -97.68 33.47 2.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 126.19 1.796 . . . . 75.329999999999998 112.743 -167.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -77.98 -31.08 50.54 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 120.163 -1.586 . . . . 61.0 111.154 -177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.34 -14.96 55.6 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.129 1.372 . . . . 62.200000000000003 113.138 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.02 -27.62 57.43 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 126.034 1.734 . . . . 70.200000000000003 111.716 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD12 HD13 ' A' ' 68' ' ' LEU . 62.6 mt -67.81 163.29 22.13 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.0 2.52 . . . . 75.239999999999995 112.203 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.45 122.1 15.42 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.192 -0.942 . . . . 74.319999999999993 111.769 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.164 1.386 . . . . 53.43 113.733 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -55.92 -34.91 66.03 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 125.117 1.367 . . . . 64.109999999999999 113.616 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 ptp -79.41 -15.47 57.78 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 120.695 -1.253 . . . . 73.150000000000006 111.788 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 61.23 34.35 18.76 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 128.289 2.636 . . . . 70.430000000000007 116.428 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -80.88 122.28 27.02 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 120.205 -1.559 . . . . 73.120000000000005 110.925 176.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -140.45 150.42 43.8 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.22 -1.03 . . . . 72.420000000000002 108.22 165.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.38 129.52 40.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 122.375 1.083 . . . . 74.430000000000007 113.437 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.56 -10.99 73.15 Favored Glycine 0 C--N 1.35 1.327 0 C-N-CA 125.193 1.377 . . . . 74.230000000000004 115.469 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.39 24.41 12.18 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.191 1.496 . . . . 65.340000000000003 111.759 -169.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.62 -42.79 84.0 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 114.256 1.206 . . . . 50.43 114.256 -171.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.82 -40.51 93.05 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.444 1.02 . . . . 71.120000000000005 112.38 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -73.62 -44.5 56.89 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 113.297 0.851 . . . . 72.420000000000002 113.297 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 57.4 t80 -60.38 -46.96 88.1 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 127.081 2.152 . . . . 62.5 113.076 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.95 90.67 Favored 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 120.946 -1.096 . . . . 71.409999999999997 113.732 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 72.8 mtm -63.6 -35.46 80.59 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 113.986 1.106 . . . . 63.240000000000002 113.986 173.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.29 -27.3 68.38 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 120.797 -1.189 . . . . 72.319999999999993 112.439 172.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -95.87 14.15 24.39 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.905 1.682 . . . . 61.149999999999999 114.867 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.98 -0.12 64.17 Favored Glycine 0 C--N 1.35 1.327 0 O-C-N 121.002 -1.061 . . . . 62.340000000000003 114.004 167.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.33 140.96 58.13 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 118.292 1.046 . . . . 74.239999999999995 111.23 163.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -81.99 171.77 14.03 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.583 -1.948 . . . . 74.120000000000005 107.957 168.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.02 -34.23 77.54 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.504 -1.372 . . . . 65.200000000000003 112.566 -173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.9 83.56 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.693 1.997 . . . . 72.129999999999995 112.822 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 61.0 mtt -67.78 -38.99 84.1 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.484 1.113 . . . . 72.230000000000004 112.012 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.25 -48.07 83.29 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.723 0.773 . . . . 62.32 112.691 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -69.53 -29.52 67.14 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.86 -1.15 . . . . 75.400000000000006 112.136 175.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.13 -43.47 98.83 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 115.451 1.649 . . . . 74.430000000000007 115.451 170.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD12 ' OE1' ' A' ' 138' ' ' GLU . 65.2 mt -63.84 -41.37 97.84 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-N 121.584 1.993 . . . . 64.349999999999994 112.324 176.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.32 -40.37 97.13 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.976 -1.078 . . . . 61.219999999999999 111.892 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.38 -42.73 96.0 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.295 -1.503 . . . . 64.450000000000003 112.497 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.42 -45.28 93.7 Favored 'Isoleucine or valine' 0 C--N 1.362 1.133 0 C-N-CA 124.861 1.264 . . . . 73.230000000000004 109.95 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -59.4 -51.98 67.6 Favored 'General case' 0 CA--C 1.487 -1.476 0 O-C-N 121.714 -0.616 . . . . 71.430000000000007 111.826 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 98' ' ' GLU . 88.6 m-70 -74.94 -26.61 59.73 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 120.854 -1.154 . . . . 51.100000000000001 111.075 -175.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.6 t -67.58 -41.47 84.07 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 114.504 1.298 . . . . 72.109999999999999 114.504 172.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.448 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.2 m -67.28 -41.24 85.82 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 115.289 1.589 . . . . 44.340000000000003 115.289 169.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.574 ' CG ' ' HA ' ' A' ' 95' ' ' HIS . 1.3 pp20? -69.08 -17.51 63.88 Favored 'General case' 0 CA--C 1.512 -0.499 0 O-C-N 120.366 -1.459 . . . . 64.209999999999994 113.94 -171.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -86.82 -21.43 26.45 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 123.417 0.687 . . . . 72.299999999999997 112.781 173.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 97' ' ' CYS . 32.6 m -97.34 -28.09 3.77 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 O-C-N 120.785 -1.197 . . . . 55.329999999999998 111.667 -174.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.458 HG12 ' HA ' ' A' ' 98' ' ' GLU . 1.6 pt -69.94 157.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 N-CA-C 115.147 1.536 . . . . 72.209999999999994 115.147 176.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.0 m -67.57 127.66 33.56 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.341 1.067 . . . . 62.43 112.532 164.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.8 mt -114.17 132.52 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.67 0 C-N-CA 129.782 3.233 . . . . 73.120000000000005 103.099 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 t -115.09 127.98 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 105.758 -1.941 . . . . 64.340000000000003 105.758 178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.43 92.22 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 114.546 1.313 . . . . 74.230000000000004 114.546 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -65.3 -37.78 88.21 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.577 1.551 . . . . 31.539999999999999 114.623 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -125.92 96.65 37.05 Favored Pre-proline 0 C--N 1.349 0.556 0 CA-C-O 117.811 -1.09 . . . . 74.219999999999999 108.368 -163.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.56 -12.59 33.61 Favored 'Trans proline' 0 C--N 1.33 -0.443 0 CA-C-N 123.843 2.408 . . . . 71.409999999999997 112.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.6 m -74.0 -43.5 57.82 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 125.009 1.324 . . . . 74.319999999999993 110.458 -173.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -44.18 97.5 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.983 -1.073 . . . . 74.400000000000006 111.401 173.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.9 m -54.55 -46.98 73.74 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.61 0.764 . . . . 74.439999999999998 111.11 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.21 -47.91 63.52 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.63 -1.293 . . . . 74.329999999999998 114.227 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.38 81.57 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.489 1.515 . . . . 71.329999999999998 112.717 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.91 -41.47 97.94 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 123.955 0.902 . . . . 73.109999999999999 109.334 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.78 -46.22 86.22 Favored 'General case' 0 CA--C 1.493 -1.233 0 O-C-N 121.441 -0.787 . . . . 72.239999999999995 112.934 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.35 98.66 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 124.651 1.18 . . . . 74.430000000000007 110.909 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 15.8 ptp -69.38 -30.91 69.0 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 118.999 -0.524 . . . . 75.120000000000005 111.118 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 45.0 t -71.11 -46.12 62.32 Favored 'General case' 0 C--N 1.37 1.491 0 CA-C-N 120.218 1.372 . . . . 73.200000000000003 113.24 168.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 139' ' ' LEU . 72.0 t80 -54.6 -48.53 72.05 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 114.883 1.438 . . . . 70.140000000000001 114.883 174.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 123' ' ' ILE . 29.0 tptp -62.75 -30.61 71.57 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.352 1.061 . . . . 75.019999999999996 112.487 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.91 99.79 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.492 1.139 . . . . 74.019999999999996 112.397 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -68.23 -46.35 70.78 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.87 1.268 . . . . 55.439999999999998 114.139 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.1 pt -66.74 -22.6 29.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 119.178 -2.201 . . . . 72.25 114.082 174.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.22 -41.44 98.39 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 124.661 1.184 . . . . 71.439999999999998 111.898 168.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.3 -25.35 57.85 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 113.282 0.845 . . . . 75.150000000000006 113.282 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.6 mt -67.04 152.57 45.54 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.305 2.242 . . . . 72.219999999999999 115.225 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -86.93 1.06 53.9 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 124.866 1.266 . . . . 70.010000000000005 111.747 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -129.24 154.87 46.39 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 106.616 -1.624 . . . . 73.109999999999999 106.616 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.32 118.64 39.52 Favored Pre-proline 0 N--CA 1.445 -0.709 0 CA-C-O 118.444 -0.789 . . . . 61.009999999999998 111.444 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.71 147.57 63.5 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.466 2.11 . . . . 54.420000000000002 109.165 156.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.1 t -80.43 167.31 20.34 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 109.026 -0.731 . . . . 50.039999999999999 109.026 164.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.74 -33.36 73.91 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 120.799 -1.188 . . . . 75.329999999999998 111.822 -175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -59.27 -41.48 88.98 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.59 0.756 . . . . 74.010000000000005 112.134 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.77 -44.63 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 C-N-CA 126.678 1.991 . . . . 71.319999999999993 114.492 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.69 -47.89 79.37 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.591 0.96 . . . . 75.319999999999993 113.591 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 m -79.17 -28.63 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 O-C-N 120.751 -1.218 . . . . 74.310000000000002 108.232 174.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.13 -44.14 97.64 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.105 -0.83 . . . . 44.030000000000001 114.299 -173.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.7 mt-10 -65.63 -35.29 80.38 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.107 1.453 . . . . 65.200000000000003 113.217 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -62.06 -55.29 30.54 Favored 'General case' 0 CA--C 1.478 -1.826 0 O-C-N 121.663 -0.648 . . . . 61.420000000000002 112.61 170.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 56' ' ' ALA . 72.7 mt -67.14 -40.58 86.76 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.652 -0.704 . . . . 65.0 112.725 -176.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.61 84.42 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.505 -1.372 . . . . 73.409999999999997 113.704 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.19 0.84 55.59 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 121.309 -0.869 . . . . 73.329999999999998 111.935 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.26 1.616 0 O-C-N 120.526 -1.359 . . . . 63.149999999999999 113.025 177.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.518 2.953 0 N-CA-C 115.501 1.667 . . . . 62.32 115.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.69 -43.98 97.42 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.123 1.769 . . . . 55.5 114.027 -168.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.34 5.65 48.43 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.063 0.945 . . . . 71.420000000000002 113.338 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.61 -62.34 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 CA-C-O 122.939 1.352 . . . . 54.409999999999997 108.117 -170.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.8 mtp 51.05 42.74 28.9 Favored 'General case' 0 N--CA 1.43 -1.446 1 C-N-CA 131.868 4.067 . . . . 72.230000000000004 115.66 -174.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -104.54 172.26 6.89 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 123.598 1.666 . . . . 52.32 113.995 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -139.93 157.08 46.26 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 112.949 -1.932 . . . . 73.329999999999998 107.429 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.49 160.43 43.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 107.848 -1.167 . . . . 62.219999999999999 107.848 -175.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.2 p -85.17 164.48 18.09 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 122.019 0.914 . . . . 63.520000000000003 112.412 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.7 pt -97.69 -0.11 10.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 113.884 1.068 . . . . 70.409999999999997 113.884 -169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -148.01 -178.99 6.59 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.396 -1.44 . . . . 73.120000000000005 111.411 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -85.59 -3.26 58.82 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 125.91 1.684 . . . . 75.420000000000002 115.511 -175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.79 77.98 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 117.555 2.428 . . . . 73.430000000000007 117.555 -171.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -63.0 -45.96 86.91 Favored Pre-proline 0 N--CA 1.448 -0.567 0 CA-C-O 116.58 -1.676 . . . . 72.010000000000005 114.348 -173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.61 -27.72 32.22 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 CA-C-N 124.768 2.739 . . . . 74.530000000000001 113.614 166.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.1 tpt -71.04 -42.63 69.24 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.592 1.087 . . . . 71.409999999999997 111.494 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.91 -32.36 69.28 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 124.587 1.155 . . . . 71.109999999999999 112.018 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.71 96.42 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.152 0.981 . . . . 74.109999999999999 113.027 173.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.7 m -60.37 -44.64 95.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.384 -0.822 . . . . 70.340000000000003 110.377 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.41 -43.28 93.05 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.908 -1.745 . . . . 73.450000000000003 111.756 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.56 -40.46 42.33 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.849 1.426 . . . . 64.010000000000005 114.849 176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.76 -39.47 88.88 Favored 'General case' 0 CA--C 1.486 -1.505 0 C-N-CA 126.705 2.002 . . . . 63.030000000000001 110.574 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 7.5 mt -82.87 -7.44 59.66 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.816 -1.084 . . . . 55.229999999999997 110.393 -177.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m120 57.1 45.28 21.1 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 127.545 2.338 . . . . 73.349999999999994 113.362 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.57 158.0 46.29 Favored Pre-proline 0 C--N 1.351 0.638 0 C-N-CA 124.059 0.944 . . . . 51.020000000000003 109.497 -173.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.9 Cg_endo -74.96 166.06 30.02 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.264 1.976 . . . . 74.439999999999998 113.443 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.06 -26.43 68.55 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 128.316 2.646 . . . . 64.129999999999995 109.93 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.89 72.13 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.279 1.832 . . . . 54.149999999999999 113.837 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.5 m -99.57 -22.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 O-C-N 120.196 -1.565 . . . . 72.120000000000005 111.974 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.86 -31.91 72.06 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 120.094 -1.629 . . . . 50.039999999999999 111.089 169.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -76.21 -16.83 59.76 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.069 -1.019 . . . . 74.409999999999997 112.711 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.74 -38.0 80.52 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 121.316 -0.865 . . . . 74.25 112.641 169.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.28 -41.58 93.65 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.502 1.297 . . . . 62.200000000000003 114.502 169.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -66.48 -41.46 88.94 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 119.916 -1.74 . . . . 74.409999999999997 113.364 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -65.15 -25.5 67.77 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 125.985 1.714 . . . . 75.409999999999997 114.334 171.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.29 -40.08 77.07 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.789 2.035 . . . . 71.329999999999998 111.845 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -79.22 -9.44 59.57 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.466 0.706 . . . . 74.319999999999993 112.805 -176.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.19 133.36 54.18 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 121.269 -0.895 . . . . 74.109999999999999 109.791 171.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.84 118.09 9.17 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.262 -1.524 . . . . 64.230000000000004 113.194 -163.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 -2.54 81.29 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 124.596 1.093 . . . . 62.240000000000002 115.228 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -69.03 135.42 50.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.36 1.58 . . . . 72.0 113.26 -168.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -88.74 78.74 7.61 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 120.754 -1.216 . . . . 74.340000000000003 113.96 -164.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -88.92 119.11 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.967 0.889 . . . . 71.120000000000005 109.678 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.7 p -121.85 -2.93 9.21 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 125.051 1.34 . . . . 64.510000000000005 111.345 -175.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -85.55 131.65 34.32 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 124.149 0.98 . . . . 71.400000000000006 112.324 -160.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -59.29 -32.86 70.43 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 126.889 2.076 . . . . 63.119999999999997 113.131 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CD ' HG11 ' A' ' 29' ' ' VAL . 11.5 mt-10 -63.07 -31.48 72.62 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 116.185 1.92 . . . . 74.319999999999993 116.185 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.35 90.25 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.762 0.71 . . . . 65.129999999999995 111.072 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.77 -38.38 95.52 Favored Glycine 0 CA--C 1.488 -1.623 0 O-C-N 120.33 -1.481 . . . . 62.549999999999997 113.106 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.51 -41.44 98.53 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.702 0.801 . . . . 61.43 110.86 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 p -68.27 -41.89 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.939 0 O-C-N 121.281 -0.887 . . . . 75.310000000000002 112.046 172.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.03 -45.84 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 O-C-N 120.818 -1.177 . . . . 33.219999999999999 111.94 -173.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.1 pp -68.39 -27.91 66.64 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 114.399 1.259 . . . . 62.100000000000001 114.399 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.5 ' N ' HD12 ' A' ' 53' ' ' LEU . 51.5 t -62.31 -43.16 99.48 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.637 1.575 . . . . 63.530000000000001 112.171 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.08 -36.84 80.72 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 120.894 1.679 . . . . 64.310000000000002 113.433 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.16 -38.91 68.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.487 1.515 . . . . 53.32 114.878 -175.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.32 -36.6 71.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 122.223 1.011 . . . . 73.409999999999997 112.641 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.57 32.86 2.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.883 1.673 . . . . 73.340000000000003 112.631 -167.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 68' ' ' LEU . 95.0 mt -79.52 -28.63 41.33 Favored 'General case' 0 CA--C 1.494 -1.196 0 O-C-N 119.966 -1.709 . . . . 74.299999999999997 110.87 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.88 -14.92 57.26 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.997 1.319 . . . . 71.439999999999998 112.851 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.71 -27.15 60.26 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 126.297 1.839 . . . . 60.399999999999999 111.645 172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 HD13 ' A' ' 68' ' ' LEU . 55.1 mt -69.86 164.55 23.49 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 127.854 2.462 . . . . 61.420000000000002 110.941 -174.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -66.2 135.17 54.13 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 120.722 -1.236 . . . . 72.230000000000004 110.255 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.13 -27.77 68.63 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.18 -0.95 . . . . 70.340000000000003 112.89 173.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.79 -34.05 72.51 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.561 -1.337 . . . . 75.200000000000003 113.39 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.5 ptm -81.71 -11.28 59.11 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.955 -1.09 . . . . 61.439999999999998 112.213 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 60.8 29.83 19.27 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 128.172 2.589 . . . . 34.009999999999998 116.322 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.99 121.9 27.11 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.19 -1.569 . . . . 73.109999999999999 110.926 175.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -139.41 153.12 47.55 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.284 -1.006 . . . . 72.450000000000003 108.284 164.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.34 128.06 34.69 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.473 1.13 . . . . 64.109999999999999 113.039 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.33 -10.7 72.88 Favored Glycine 0 C--N 1.347 1.185 0 C-N-CA 125.301 1.429 . . . . 42.549999999999997 115.175 -174.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.68 26.67 9.69 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.045 1.423 . . . . 64.450000000000003 112.029 -167.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.24 85.75 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 114.572 1.323 . . . . 74.519999999999996 114.572 -174.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.1 mtm -61.15 -39.79 91.4 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-N 119.236 0.926 . . . . 73.239999999999995 112.735 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -72.9 -44.69 60.97 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 121.749 0.785 . . . . 74.120000000000005 113.064 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.91 -46.6 89.98 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 127.399 2.279 . . . . 64.439999999999998 113.321 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.71 99.35 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 120.212 -1.555 . . . . 63.299999999999997 112.92 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.15 -37.91 89.09 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 114.81 1.411 . . . . 75.409999999999997 114.81 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.277 48.8 tptt -59.98 -34.44 73.3 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 125.892 1.677 . . . . 75.109999999999999 113.373 170.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -89.29 13.86 12.44 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.555 1.542 . . . . 74.129999999999995 115.043 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.2 0.54 61.49 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.997 -1.064 . . . . 63.340000000000003 114.113 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.39 49.05 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 118.295 1.047 . . . . 62.109999999999999 110.438 163.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -84.7 -177.68 6.66 Favored 'General case' 0 C--N 1.364 1.21 0 O-C-N 118.721 -2.487 . . . . 74.200000000000003 110.875 161.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.16 -24.69 67.77 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.933 -1.03 . . . . 65.239999999999995 111.018 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.68 -43.79 30.06 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 122.456 1.122 . . . . 43.210000000000001 112.312 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 mtt -66.94 -39.65 87.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.727 1.611 . . . . 74.239999999999995 112.566 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.39 80.27 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.78 0.8 . . . . 70.430000000000007 113.03 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -31.08 70.83 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.138 -0.976 . . . . 63.439999999999998 111.759 174.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.35 -44.66 96.81 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 115.803 1.779 . . . . 51.340000000000003 115.803 170.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD12 ' OE1' ' A' ' 138' ' ' GLU . 59.1 mt -64.26 -41.15 97.08 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 121.884 2.129 . . . . 73.209999999999994 112.396 176.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.73 -39.96 95.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.927 -1.108 . . . . 73.420000000000002 111.876 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.33 -42.83 96.1 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.338 -1.476 . . . . 71.150000000000006 112.72 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.53 -45.28 94.07 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 C-N-CA 124.133 0.973 . . . . 73.540000000000006 110.09 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -59.39 -53.86 53.31 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 121.754 -0.591 . . . . 65.129999999999995 111.514 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -71.71 -27.63 63.15 Favored 'General case' 0 N--CA 1.437 -1.075 0 O-C-N 121.127 -0.983 . . . . 72.349999999999994 110.254 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -66.14 -41.15 90.84 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 122.631 1.205 . . . . 63.420000000000002 112.667 172.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -67.76 -35.37 78.58 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.093 1.145 . . . . 73.030000000000001 114.093 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.12 -29.22 68.48 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.025 1.33 . . . . 72.140000000000001 113.051 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -87.07 -19.31 28.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 112.22 0.452 . . . . 74.349999999999994 112.22 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 30.5 m -100.8 -30.9 3.21 Favored 'Isoleucine or valine' 0 C--N 1.363 1.159 0 O-C-N 121.34 -0.85 . . . . 60.149999999999999 111.173 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.29 155.57 7.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-O 122.785 1.279 . . . . 72.430000000000007 114.441 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 m -69.03 126.78 30.9 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.979 -1.076 . . . . 74.109999999999999 111.98 164.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.432 HG12 HG23 ' A' ' 111' ' ' THR . 71.7 mt -110.0 132.22 58.85 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.666 0 C-N-CA 129.396 3.079 . . . . 63.32 103.253 175.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.5 t -112.88 128.51 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 N-CA-C 105.641 -1.985 . . . . 63.43 105.641 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.67 91.89 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 114.601 1.334 . . . . 51.32 114.601 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -65.4 -37.48 87.09 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 125.404 1.482 . . . . 65.129999999999995 114.733 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -128.5 92.1 41.84 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-O 118.365 -0.826 . . . . 74.209999999999994 109.032 -162.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -69.25 -13.69 36.39 Favored 'Trans proline' 0 C--N 1.331 -0.374 0 C-N-CA 122.735 2.29 . . . . 74.340000000000003 112.545 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -69.9 -43.43 71.78 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.819 1.248 . . . . 73.239999999999995 110.622 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -44.96 96.18 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 124.127 0.971 . . . . 72.450000000000003 110.929 172.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.432 HG23 HG12 ' A' ' 103' ' ' ILE . 80.6 m -55.92 -46.58 78.4 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 111.976 0.361 . . . . 74.109999999999999 111.976 175.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.6 tpt -66.58 -48.04 70.85 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.597 -1.315 . . . . 74.099999999999994 113.818 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -44.68 82.65 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.189 1.395 . . . . 51.119999999999997 112.806 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.45 -41.51 98.8 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.177 0.991 . . . . 70.310000000000002 109.442 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.98 -46.99 85.07 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 121.489 -0.757 . . . . 72.540000000000006 112.363 174.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.23 98.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.953 1.301 . . . . 75.540000000000006 111.146 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -71.5 -29.35 64.7 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-O 119.188 -0.434 . . . . 51.340000000000003 110.982 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -70.22 -46.44 64.5 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 119.921 1.237 . . . . 63.229999999999997 113.489 167.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 76.7 t80 -55.17 -47.12 75.63 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 114.877 1.436 . . . . 72.109999999999999 114.877 174.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 123' ' ' ILE . 76.2 tttt -61.68 -34.23 75.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.429 1.092 . . . . 75.129999999999995 111.163 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.53 99.02 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.531 1.158 . . . . 64.219999999999999 112.014 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.93 -46.66 70.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 115.144 1.535 . . . . 74.420000000000002 115.144 173.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.823 ' HA ' HD12 ' A' ' 126' ' ' LEU . 16.5 pt -66.48 -22.16 29.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 119.034 -2.291 . . . . 74.120000000000005 114.435 174.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -61.58 -40.63 95.46 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.966 1.306 . . . . 74.319999999999993 111.771 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -74.47 -25.3 59.31 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 123.911 0.884 . . . . 74.150000000000006 113.036 -173.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.1 mt -69.1 152.92 44.57 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.225 2.21 . . . . 73.310000000000002 115.282 -172.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.16 1.66 52.35 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 124.809 1.244 . . . . 62.119999999999997 111.363 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -131.18 155.29 47.29 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 106.763 -1.569 . . . . 74.219999999999999 106.763 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.91 118.93 41.96 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-O 118.576 -0.726 . . . . 70.340000000000003 111.034 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.68 152.32 69.68 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.436 2.091 . . . . 62.329999999999998 108.711 155.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 28.6 p -83.32 167.97 17.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 106.193 -1.781 . . . . 72.239999999999995 106.193 171.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.95 -32.34 72.76 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.34 -1.475 . . . . 62.439999999999998 112.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.17 -40.03 88.52 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.621 0.768 . . . . 75.25 112.537 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.57 -44.41 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 C-N-CA 126.421 1.888 . . . . 72.340000000000003 112.084 178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.29 79.9 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 113.479 0.918 . . . . 73.099999999999994 113.479 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -80.42 -27.43 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 C-N-CA 118.677 -1.209 . . . . 75.420000000000002 108.232 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.75 -43.04 99.54 Favored Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.088 -0.84 . . . . 51.32 114.114 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.485 ' OE1' HD12 ' A' ' 90' ' ' LEU . 21.6 mt-10 -64.52 -36.75 85.2 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.297 1.548 . . . . 74.25 113.699 174.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -62.03 -55.09 32.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 121.404 -0.81 . . . . 75.310000000000002 112.508 171.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.57 HD22 ' HB2' ' A' ' 56' ' ' ALA . 67.1 mt -67.42 -38.08 84.04 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.605 -0.725 . . . . 74.25 112.498 -175.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.82 96.14 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.1 1.148 . . . . 72.099999999999994 114.1 173.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.9 -32.81 65.6 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 121.167 -0.958 . . . . 63.130000000000003 111.612 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 81.1 m . . . . . 0 C--O 1.259 1.59 0 N-CA-C 115.101 1.519 . . . . 73.5 115.101 -178.025 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.518 2.952 0 N-CA-C 115.672 1.73 . . . . 74.530000000000001 115.672 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -79.9 116.96 20.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.93 -1.106 . . . . 73.219999999999999 109.939 -166.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.52 29.19 3.84 Favored 'General case' 0 C--N 1.353 0.748 1 C-N-CA 132.25 4.22 . . . . 62.539999999999999 113.826 -168.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -98.35 -46.69 12.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 121.931 0.872 . . . . 71.430000000000007 109.296 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.6 ptp -70.01 -30.4 67.7 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 114.537 1.31 . . . . 74.209999999999994 114.537 -148.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.8 115.09 27.6 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.143 -1.058 . . . . 73.239999999999995 108.143 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -125.94 -27.95 3.25 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 114.325 1.232 . . . . 74.120000000000005 114.325 -171.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 tpt -115.01 132.2 56.68 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.043 -1.036 . . . . 73.329999999999998 108.394 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -87.69 161.98 17.34 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 121.958 0.885 . . . . 72.420000000000002 111.353 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.64 131.59 57.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 105.705 -1.961 . . . . 72.200000000000003 105.705 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -144.44 -174.17 4.24 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.102 -0.999 . . . . 72.349999999999994 109.59 -170.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -63.92 -21.0 66.27 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 115.611 1.708 . . . . 53.149999999999999 115.611 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.55 76.15 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 115.09 1.515 . . . . 75.510000000000005 115.09 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.28 -47.5 70.57 Favored Pre-proline 0 C--N 1.352 0.715 0 CA-C-O 117.061 -1.447 . . . . 71.519999999999996 113.085 -175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.7 -28.53 37.12 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 CA-C-N 124.221 2.543 . . . . 71.400000000000006 114.794 164.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -68.04 -42.59 80.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.847 1.658 . . . . 72.040000000000006 112.373 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.78 -30.45 65.57 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 120.667 -1.271 . . . . 74.430000000000007 111.978 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.76 99.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 113.323 0.86 . . . . 73.019999999999996 113.323 168.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 98.3 m -60.2 -43.57 95.83 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.958 -1.089 . . . . 35.229999999999997 110.309 174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -43.57 89.92 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 119.726 -1.859 . . . . 74.409999999999997 112.246 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -77.56 -40.69 41.54 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 115.001 1.482 . . . . 64.549999999999997 115.001 175.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -60.28 -39.31 86.41 Favored 'General case' 0 CA--C 1.49 -1.352 0 C-N-CA 127.048 2.139 . . . . 73.409999999999997 110.452 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 8.7 mt -86.02 -7.06 58.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.98 -1.009 . . . . 71.420000000000002 110.516 -177.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.8 m120 56.52 46.21 20.98 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.002 2.121 . . . . 73.349999999999994 113.72 -174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.53 158.5 43.17 Favored Pre-proline 0 C--N 1.35 0.614 0 C-N-CA 124.659 1.184 . . . . 72.030000000000001 108.921 -174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -72.31 164.63 35.04 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.411 2.074 . . . . 74.430000000000007 113.527 176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.11 -30.95 71.37 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 129.001 2.921 . . . . 73.319999999999993 109.249 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.25 71.44 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 127.498 2.319 . . . . 64.120000000000005 114.265 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG11 ' CD ' ' A' ' 47' ' ' GLU . 6.4 m -98.13 -24.67 4.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.163 -1.586 . . . . 65.209999999999994 112.261 -171.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -32.99 73.95 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.171 -1.581 . . . . 75.120000000000005 110.369 170.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.526 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.1 pp0? -72.95 -19.61 61.21 Favored 'General case' 0 C--N 1.363 1.168 0 CA-C-O 121.96 0.886 . . . . 71.200000000000003 112.451 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.35 -38.29 88.94 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 113.951 1.093 . . . . 71.109999999999999 113.951 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.5 t80 -60.62 -46.04 91.77 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 114.087 1.143 . . . . 72.219999999999999 114.087 175.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.7 p90 -72.36 -32.66 66.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 115.271 1.582 . . . . 74.340000000000003 115.271 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.95 -14.62 60.58 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 114.935 1.457 . . . . 71.340000000000003 114.935 172.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.33 -41.01 83.64 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 125.431 1.492 . . . . 73.120000000000005 109.688 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -68.01 -21.22 65.05 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.7 1.6 . . . . 72.230000000000004 112.747 -174.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -61.35 127.03 29.5 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.801 0.841 . . . . 71.120000000000005 110.996 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -67.71 123.57 20.88 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.512 -1.368 . . . . 61.43 112.383 -169.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.33 -5.24 84.98 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 119.344 -0.698 . . . . 61.409999999999997 114.448 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -83.54 132.86 34.9 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.714 1.757 . . . . 74.150000000000006 110.997 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -95.07 116.39 28.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 123.36 1.552 . . . . 75.540000000000006 110.397 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.48 119.34 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 124.154 0.982 . . . . 71.519999999999996 109.726 166.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -129.9 3.72 4.9 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 124.641 1.177 . . . . 61.329999999999998 111.093 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.34 133.83 33.98 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 121.341 -0.849 . . . . 64.310000000000002 111.821 -163.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.73 -33.47 71.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.278 1.831 . . . . 73.140000000000001 113.221 -173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.547 ' CD ' HG11 ' A' ' 29' ' ' VAL . 6.4 mt-10 -63.88 -29.04 70.26 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 116.541 2.052 . . . . 71.510000000000005 116.541 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.7 -42.29 83.42 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 118.947 0.794 . . . . 63.329999999999998 111.674 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.86 -37.37 94.22 Favored Glycine 0 CA--C 1.494 -1.279 0 O-C-N 120.095 -1.628 . . . . 54.409999999999997 113.108 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.75 -42.18 97.89 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.814 1.246 . . . . 75.439999999999998 110.733 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.54 -42.11 83.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 O-C-N 121.343 -0.848 . . . . 75.109999999999999 111.654 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.5 mt -59.29 -45.59 93.04 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 O-C-N 120.271 -1.518 . . . . 54.5 113.094 -175.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.94 -28.49 68.33 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 114.135 1.161 . . . . 62.32 114.135 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.41 -42.93 99.81 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.27 1.428 . . . . 53.399999999999999 112.625 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.85 -36.72 79.86 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-N 121.031 1.742 . . . . 73.420000000000002 113.584 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.67 -38.3 72.02 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 115.353 1.612 . . . . 74.140000000000001 115.353 -175.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.91 -41.06 71.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 122.071 0.939 . . . . 72.409999999999997 112.913 168.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.72 45.19 1.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.559 -1.338 . . . . 64.120000000000005 113.453 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.47 -22.29 20.48 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 123.241 1.496 . . . . 73.239999999999995 109.722 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -16.75 63.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.978 1.311 . . . . 65.310000000000002 112.035 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.89 -27.94 64.18 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.753 2.021 . . . . 72.129999999999995 111.892 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD12 HD13 ' A' ' 68' ' ' LEU . 52.0 mt -75.39 160.7 29.97 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 127.334 2.254 . . . . 73.120000000000005 110.856 -172.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.66 144.05 34.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.815 -1.178 . . . . 61.409999999999997 109.915 -171.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -61.07 -28.27 68.95 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.173 1.175 . . . . 64.140000000000001 114.173 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.2 -35.65 71.94 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.479 -1.388 . . . . 71.239999999999995 113.514 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -78.43 -17.37 56.47 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.777 -1.202 . . . . 75.140000000000001 112.747 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 65.94 24.37 11.17 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.453 2.701 . . . . 74.420000000000002 117.359 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -81.12 122.27 27.15 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.888 -1.758 . . . . 74.430000000000007 110.65 176.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -138.5 146.15 41.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.337 -1.357 . . . . 71.409999999999997 107.337 165.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' HE1' ' O ' ' A' ' 143' ' ' THR . 8.1 t60 -65.64 130.78 44.5 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.342 1.057 . . . . 70.519999999999996 111.006 -177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.86 -12.05 68.61 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 124.206 0.908 . . . . 53.130000000000003 114.955 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -102.15 22.36 13.35 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.694 1.247 . . . . 52.240000000000002 111.454 -171.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.87 -42.96 80.72 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 124.78 1.232 . . . . 73.049999999999997 114.293 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.7 mtp -60.96 -37.83 83.79 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.042 -1.036 . . . . 73.140000000000001 112.638 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -77.2 -45.34 26.91 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.363 0.875 . . . . 63.329999999999998 113.363 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 36.7 t80 -60.53 -44.36 96.16 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.771 2.029 . . . . 54.310000000000002 113.736 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -58.05 -41.62 83.68 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.066 0.946 . . . . 75.319999999999993 112.563 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.91 -37.45 87.45 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 124.739 1.216 . . . . 72.439999999999998 113.895 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.74 -26.51 68.11 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.94 -1.1 . . . . 73.129999999999995 112.55 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -96.63 14.27 25.43 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 125.476 1.511 . . . . 70.129999999999995 114.757 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 0.91 64.13 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 120.959 -1.088 . . . . 32.299999999999997 114.411 166.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.23 141.94 57.1 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 118.573 1.186 . . . . 73.239999999999995 110.886 162.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -82.9 172.74 12.49 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 119.429 -2.044 . . . . 72.340000000000003 108.641 170.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -64.69 -31.82 73.21 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 120.413 -1.43 . . . . 65.450000000000003 112.857 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.03 -46.41 71.27 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.443 1.497 . . . . 74.430000000000007 112.455 174.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.15 -40.48 96.23 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 127.051 2.14 . . . . 72.319999999999993 113.078 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -46.07 89.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.604 1.162 . . . . 74.239999999999995 112.855 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -76.59 -26.88 55.51 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.502 0.721 . . . . 74.219999999999999 112.367 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -60.13 -42.26 94.44 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.029 1.492 . . . . 75.219999999999999 115.029 171.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.64 -41.22 98.91 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 121.307 1.867 . . . . 74.239999999999995 112.544 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.93 -40.68 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.107 -0.996 . . . . 63.140000000000001 111.757 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.54 -42.59 95.64 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.312 1.445 . . . . 50.140000000000001 112.655 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.47 -44.65 93.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.107 0 C-N-CA 124.6 1.16 . . . . 62.340000000000003 110.115 176.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -57.53 -57.77 11.22 Favored 'General case' 0 CA--C 1.498 -1.046 0 O-C-N 122.007 -0.433 . . . . 74.200000000000003 111.915 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.15 -29.71 68.67 Favored 'General case' 0 N--CA 1.435 -1.21 0 O-C-N 121.348 -0.845 . . . . 60.409999999999997 111.116 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.7 t -66.19 -43.55 86.49 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 122.482 1.134 . . . . 61.140000000000001 111.914 172.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.439 ' HA ' HG22 ' A' ' 100' ' ' VAL . 7.8 m -66.09 -29.95 70.38 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 115.18 1.548 . . . . 62.200000000000003 115.18 175.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.5 -28.93 69.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.814 1.246 . . . . 63.350000000000001 111.015 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -74.56 -42.16 59.29 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 127.06 2.144 . . . . 73.519999999999996 109.514 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 97' ' ' CYS . 23.0 m -86.84 -32.04 6.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 C-N-CA 123.134 0.574 . . . . 73.239999999999995 111.737 -168.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.7 157.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-O 122.833 1.302 . . . . 64.409999999999997 114.162 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 m -68.89 125.8 27.76 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.845 -1.159 . . . . 72.409999999999997 112.14 164.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.1 mt -107.82 132.12 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 129.169 2.988 . . . . 63.219999999999999 103.398 175.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 37.2 t -113.26 128.42 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.966 -1.864 . . . . 72.400000000000006 105.966 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.49 89.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.267 1.21 . . . . 60.450000000000003 114.267 171.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.36 -38.49 91.21 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 125.499 1.52 . . . . 74.120000000000005 114.292 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -128.63 98.62 24.76 Favored Pre-proline 0 N--CA 1.445 -0.686 0 CA-C-O 117.762 -1.114 . . . . 63.240000000000002 109.33 -162.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -68.5 -13.31 37.13 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-N 123.838 2.406 . . . . 74.450000000000003 112.873 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 68.7 m -71.86 -44.5 63.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.696 1.199 . . . . 52.140000000000001 111.046 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -44.83 96.62 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 120.91 -1.119 . . . . 74.140000000000001 111.817 172.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.2 m -55.06 -47.39 74.91 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.924 0.89 . . . . 63.119999999999997 110.952 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.8 tpt -69.51 -47.51 63.55 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 120.567 -1.333 . . . . 74.400000000000006 114.411 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -44.91 83.68 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.733 1.213 . . . . 74.409999999999997 112.478 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.1 -41.01 97.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 123.948 0.899 . . . . 64.239999999999995 109.432 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.95 -47.17 84.35 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 121.392 -0.817 . . . . 64.549999999999997 112.616 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.46 -42.92 98.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.167 0.987 . . . . 62.119999999999997 111.014 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.6 ptm -70.18 -29.79 66.75 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 118.951 -0.547 . . . . 73.430000000000007 111.908 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 43.3 t -68.79 -46.49 68.57 Favored 'General case' 0 C--N 1.372 1.571 0 CA-C-N 120.635 1.561 . . . . 74.129999999999995 113.897 167.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.511 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.09 -48.08 74.04 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 114.689 1.366 . . . . 73.349999999999994 114.689 175.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.698 ' HD2' HD11 ' A' ' 123' ' ' ILE . 28.9 mmmt -64.0 -28.11 69.58 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.659 0.784 . . . . 75.319999999999993 112.232 176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -64.35 -43.0 95.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-O 122.282 1.039 . . . . 34.409999999999997 112.222 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.57 -45.97 74.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.658 1.355 . . . . 63.100000000000001 114.658 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 126' ' ' LEU . 19.1 pt -66.73 -22.13 29.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 119.347 -2.096 . . . . 73.439999999999998 114.742 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.67 -40.49 95.11 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 124.668 1.187 . . . . 61.25 111.585 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -72.08 -27.07 62.43 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.273 1.029 . . . . 63.109999999999999 113.363 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -68.57 153.18 44.25 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.263 2.225 . . . . 71.239999999999995 115.228 -173.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.94 -0.77 55.36 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.811 1.244 . . . . 71.019999999999996 111.826 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 15.2 p-90 -129.66 153.68 47.88 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 106.306 -1.738 . . . . 73.450000000000003 106.306 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.08 118.18 40.59 Favored Pre-proline 0 N--CA 1.444 -0.73 0 CA-C-O 118.481 -0.771 . . . . 52.229999999999997 111.242 -179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.0 154.02 63.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.387 2.058 . . . . 71.420000000000002 109.846 158.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -85.68 170.46 12.49 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 106.981 -1.488 . . . . 74.420000000000002 106.981 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.28 -32.73 72.56 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.274 -1.516 . . . . 73.409999999999997 112.483 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.19 -37.07 79.12 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.614 1.166 . . . . 72.040000000000006 112.297 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.05 -44.87 13.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.124 2.169 . . . . 70.349999999999994 111.138 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.2 81.08 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.426 -1.421 . . . . 74.150000000000006 114.207 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.38 -28.21 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 120.315 -1.491 . . . . 75.239999999999995 108.896 173.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -60.69 -45.14 96.97 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 119.394 -0.67 . . . . 55.210000000000001 114.526 -175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.416 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -69.27 -30.53 68.65 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 119.411 1.606 . . . . 72.040000000000006 113.219 178.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 119' ' ' PHE . 42.8 mt -63.18 -59.95 4.07 Favored 'General case' 0 CA--C 1.474 -1.975 0 C-N-CA 123.612 0.765 . . . . 75.420000000000002 111.124 168.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 56' ' ' ALA . 74.0 mt -65.83 -37.17 85.52 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.938 0.718 . . . . 72.439999999999998 112.938 -174.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.77 92.8 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.833 1.42 . . . . 75.230000000000004 114.833 172.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -80.06 -30.3 39.35 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.588 -1.32 . . . . 43.140000000000001 110.893 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.417 ' O ' ' HE1' ' A' ' 70' ' ' HIS . 75.3 m . . . . . 0 C--O 1.259 1.57 0 N-CA-C 115.864 1.802 . . . . 61.009999999999998 115.864 -175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.519 2.978 0 N-CA-C 115.275 1.583 . . . . 72.150000000000006 115.275 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -63.96 -34.57 78.28 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.473 -1.392 . . . . 61.140000000000001 114.281 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -86.02 0.81 52.43 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 114.299 1.222 . . . . 64.140000000000001 114.299 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.04 -49.89 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 124.329 1.052 . . . . 50.030000000000001 109.332 -175.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 114.737 1.384 . . . . 74.439999999999998 114.737 -150.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -127.51 163.13 24.8 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-O 123.827 1.775 . . . . 72.129999999999995 114.836 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.71 -37.15 86.6 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 112.093 -2.321 . . . . 71.129999999999995 114.375 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtm -132.2 141.56 49.12 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 106.516 -1.661 . . . . 71.120000000000005 106.516 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p -95.62 -26.51 15.72 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.264 0.626 . . . . 74.150000000000006 112.334 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -118.67 121.19 66.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.752 0.821 . . . . 63.520000000000003 108.847 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -134.37 143.29 47.55 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.114 -1.439 . . . . 63.329999999999998 107.114 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -82.29 -13.16 57.42 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.299 1.04 . . . . 72.329999999999998 113.581 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.45 -23.36 53.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 117.216 2.302 . . . . 73.200000000000003 117.216 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.85 -46.03 99.57 Favored Pre-proline 0 C--N 1.351 0.653 0 CA-C-O 116.264 -1.827 . . . . 73.129999999999995 115.007 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.95 -25.88 38.15 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 CA-C-N 125.102 2.858 . . . . 71.310000000000002 114.52 168.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.6 mtt -75.45 -43.02 51.81 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.048 1.295 . . . . 63.450000000000003 112.39 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.41 -32.56 66.46 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 121.286 -0.883 . . . . 41.130000000000003 111.458 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -44.45 94.23 Favored 'General case' 0 CA--C 1.504 -0.815 0 O-C-N 121.565 -0.709 . . . . 50.229999999999997 112.689 169.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.5 t -61.39 -46.3 90.74 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 108.224 -1.028 . . . . 54.200000000000003 108.224 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -59.13 -43.18 91.96 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.064 -1.647 . . . . 73.329999999999998 112.229 -172.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -76.65 -39.85 51.01 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 114.289 1.218 . . . . 64.319999999999993 114.289 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.77 -38.94 86.97 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 126.7 2.0 . . . . 63.509999999999998 110.345 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.0 mt -83.32 -7.74 59.54 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.059 -0.973 . . . . 72.549999999999997 110.068 -177.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m120 56.99 45.44 21.18 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.722 2.409 . . . . 60.240000000000002 113.385 -174.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.65 158.07 46.26 Favored Pre-proline 0 C--N 1.349 0.586 0 C-N-CA 124.115 0.966 . . . . 73.200000000000003 109.399 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.0 Cg_endo -74.71 165.84 30.65 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.328 2.019 . . . . 71.140000000000001 113.35 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.81 -24.61 67.6 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 128.231 2.612 . . . . 71.209999999999994 110.092 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -32.15 70.36 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.441 1.896 . . . . 74.140000000000001 113.734 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG11 ' CD ' ' A' ' 47' ' ' GLU . 9.0 m -101.56 -21.99 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 O-C-N 120.28 -1.513 . . . . 75.400000000000006 112.163 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.87 -32.48 73.02 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.159 -1.588 . . . . 74.349999999999994 110.805 168.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -75.92 -16.16 60.07 Favored 'General case' 0 C--N 1.36 1.03 0 O-C-N 120.968 -1.083 . . . . 73.430000000000007 112.574 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.41 -38.17 79.92 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.234 -0.916 . . . . 72.099999999999994 112.619 168.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.83 -40.6 93.39 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 114.605 1.335 . . . . 73.409999999999997 114.605 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -63.58 -44.41 94.13 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.078 -1.639 . . . . 73.019999999999996 113.139 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -65.76 -24.12 66.88 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 127.174 2.19 . . . . 72.019999999999996 114.618 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -56.77 -39.75 74.6 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 126.93 2.092 . . . . 74.150000000000006 111.817 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -81.42 -7.45 59.58 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.549 0.74 . . . . 65.0 111.969 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -64.02 134.26 54.67 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.143 -0.973 . . . . 63.530000000000001 111.844 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.91 125.34 24.1 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 120.391 -1.443 . . . . 74.409999999999997 112.435 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.47 -0.66 87.56 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 115.1 0.8 . . . . 74.549999999999997 115.1 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -89.0 132.6 34.66 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.454 1.627 . . . . 75.530000000000001 110.688 -171.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -94.56 117.14 29.67 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 123.319 1.533 . . . . 75.519999999999996 110.45 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.3 mm -105.35 122.64 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 124.459 1.104 . . . . 73.109999999999999 109.323 164.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -126.47 5.66 6.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.336 1.054 . . . . 62.43 110.707 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -91.77 130.58 37.53 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 123.864 0.866 . . . . 73.140000000000001 111.541 -167.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.2 -32.33 71.0 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.053 1.741 . . . . 74.140000000000001 113.763 -174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' CD ' HG11 ' A' ' 29' ' ' VAL . 13.5 mt-10 -62.34 -31.98 72.69 Favored 'General case' 0 CA--C 1.491 -1.318 0 N-CA-C 115.723 1.749 . . . . 75.329999999999998 115.723 170.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.75 -41.22 86.0 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 121.798 0.809 . . . . 64.530000000000001 110.759 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.47 99.14 Favored Glycine 0 CA--C 1.49 -1.499 0 O-C-N 121.075 -1.015 . . . . 54.210000000000001 114.016 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 91.8 m -63.84 -41.49 97.8 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.537 1.135 . . . . 73.200000000000003 111.3 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.4 p -68.16 -39.33 81.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.986 -1.071 . . . . 73.150000000000006 112.281 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.44 -46.32 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 O-C-N 119.7 -1.875 . . . . 75.0 113.07 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.59 -29.09 68.35 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 115.447 1.647 . . . . 73.439999999999998 115.447 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.512 ' N ' HD12 ' A' ' 53' ' ' LEU . 41.8 t -65.56 -41.29 93.14 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 127.846 2.458 . . . . 73.310000000000002 113.788 172.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.7 mm? -60.65 -38.39 84.68 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 118.549 -2.595 . . . . 70.019999999999996 112.996 171.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.494 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.38 -35.49 67.77 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.544 1.538 . . . . 70.430000000000007 114.995 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -81.01 -24.21 38.11 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.586 -0.696 . . . . 71.310000000000002 112.479 172.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -103.65 34.57 2.93 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.82 2.048 . . . . 74.329999999999998 113.337 -172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 68' ' ' LEU . 88.5 mt -82.78 -17.36 44.4 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 119.649 -1.907 . . . . 73.409999999999997 110.668 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -62.4 -29.37 70.44 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 127.35 2.26 . . . . 73.129999999999995 110.854 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -28.32 65.58 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 128.367 2.667 . . . . 73.450000000000003 111.183 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 HD13 ' A' ' 68' ' ' LEU . 63.5 mt -73.22 160.86 31.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.906 2.082 . . . . 74.129999999999995 110.429 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.67 142.88 44.45 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 120.48 -1.387 . . . . 64.209999999999994 113.389 -174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.84 -29.23 70.44 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.793 -1.192 . . . . 62.509999999999998 113.961 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.68 -37.13 72.9 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.496 -1.378 . . . . 73.310000000000002 113.565 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ptm -79.23 -10.82 59.91 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.704 -1.248 . . . . 63.340000000000003 112.573 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 62.5 26.56 15.8 Favored 'General case' 0 C--N 1.359 0.998 0 C-N-CA 127.987 2.515 . . . . 73.209999999999994 116.751 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -79.98 120.55 24.32 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 120.038 -1.664 . . . . 72.340000000000003 111.208 177.348 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -134.27 147.76 50.69 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 105.851 -1.907 . . . . 60.240000000000002 105.851 166.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.1 t60 -66.15 129.19 38.96 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.161 0.984 . . . . 74.420000000000002 110.892 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.12 -9.23 78.23 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.915 1.245 . . . . 61.340000000000003 115.617 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -109.18 27.97 8.98 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.973 1.386 . . . . 75.219999999999999 109.956 -169.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.63 83.73 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 114.595 1.332 . . . . 75.209999999999994 114.595 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 119.624 1.102 . . . . 74.530000000000001 112.901 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -71.25 -44.75 64.7 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.292 0.637 . . . . 74.340000000000003 112.356 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.7 -48.9 79.74 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 126.44 1.896 . . . . 74.150000000000006 113.0 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.89 96.02 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.931 0.892 . . . . 73.099999999999994 113.221 -176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 77.9 mtm -63.55 -37.46 87.39 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 113.879 1.066 . . . . 75.310000000000002 113.879 174.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.23 -24.49 67.89 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 120.493 -1.38 . . . . 71.329999999999998 113.249 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -93.89 13.67 21.91 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.574 1.55 . . . . 73.340000000000003 114.558 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.7 0.69 64.21 Favored Glycine 0 C--N 1.351 1.397 0 O-C-N 121.02 -1.05 . . . . 74.209999999999994 114.255 167.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.43 141.9 56.85 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 118.32 1.06 . . . . 75.209999999999994 111.18 164.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -81.42 170.41 16.0 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.611 -1.931 . . . . 73.439999999999998 108.17 168.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.62 -34.32 77.99 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.552 -1.342 . . . . 74.340000000000003 112.662 -173.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.46 84.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.423 1.889 . . . . 72.439999999999998 112.521 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.6 mtt -67.97 -39.18 83.39 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.902 1.281 . . . . 63.229999999999997 112.416 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.73 84.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.894 0.878 . . . . 73.140000000000001 112.719 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.42 -28.99 65.48 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.843 -1.161 . . . . 74.239999999999995 112.005 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.55 -42.47 96.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.039 1.496 . . . . 74.439999999999998 115.039 171.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.472 HD12 ' OE1' ' A' ' 138' ' ' GLU . 53.6 mt -63.22 -41.83 99.18 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 121.438 1.926 . . . . 73.530000000000001 112.659 175.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.25 -39.59 94.27 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.193 -0.942 . . . . 65.329999999999998 111.648 172.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.687 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.8 t70 -66.54 -41.35 88.87 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 125.284 1.434 . . . . 73.209999999999994 114.774 176.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -59.06 -44.91 92.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 124.372 1.069 . . . . 45.439999999999998 109.295 172.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.38 -50.84 72.21 Favored 'General case' 0 CA--C 1.494 -1.188 0 C-N-CA 123.263 0.625 . . . . 71.239999999999995 110.986 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.687 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.8 p80 -75.15 -27.94 59.93 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 117.741 -1.583 . . . . 71.510000000000005 109.469 -169.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.46 -43.98 88.62 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.672 -1.604 . . . . 74.409999999999997 111.42 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.6 m -66.31 -32.91 74.6 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.046 1.338 . . . . 61.340000000000003 114.317 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.54 -25.05 67.04 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.725 1.21 . . . . 72.329999999999998 112.346 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.04 -40.24 60.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 126.056 1.742 . . . . 70.340000000000003 109.956 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.7 m -95.7 -29.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 C-N-CA 123.566 0.746 . . . . 34.119999999999997 111.356 -165.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.42 155.21 7.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 122.658 1.218 . . . . 74.230000000000004 113.38 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.2 m -67.55 121.86 16.76 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.83 -1.169 . . . . 63.43 111.386 164.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.9 mt -102.31 131.58 50.1 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 C-N-CA 128.955 2.902 . . . . 74.140000000000001 103.476 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.49 128.54 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 105.917 -1.883 . . . . 71.150000000000006 105.917 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.83 88.47 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 114.744 1.387 . . . . 72.439999999999998 114.744 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -65.02 -37.79 88.78 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.626 1.57 . . . . 71.450000000000003 114.652 176.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -129.46 89.64 46.64 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-O 118.38 -0.819 . . . . 62.520000000000003 108.876 -161.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -69.02 -13.23 36.15 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 C-N-CA 122.765 2.31 . . . . 73.099999999999994 112.541 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.9 -43.68 78.73 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.298 1.439 . . . . 74.040000000000006 110.329 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -45.81 93.31 Favored 'General case' 0 C--N 1.361 1.086 0 O-C-N 121.282 -0.886 . . . . 72.439999999999998 112.395 169.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.0 m -57.02 -46.78 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 112.704 0.631 . . . . 41.140000000000001 112.704 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -46.84 75.7 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.018 2.229 . . . . 75.420000000000002 117.018 171.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -45.25 84.17 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.282 -1.511 . . . . 72.239999999999995 112.621 -178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.8 -41.62 99.37 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.625 0.77 . . . . 64.140000000000001 109.761 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.6 -46.06 87.48 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 121.097 -1.002 . . . . 51.240000000000002 112.279 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.27 99.74 Favored 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 124.808 1.243 . . . . 61.5 110.799 -174.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.73 -28.54 62.71 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.941 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.12 -46.61 64.44 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 120.084 1.311 . . . . 72.319999999999993 113.706 166.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.599 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.4 t80 -55.36 -47.89 75.06 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 115.161 1.541 . . . . 74.040000000000006 115.161 174.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 123' ' ' ILE . 34.3 ttpt -62.44 -32.75 73.66 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 122.03 0.919 . . . . 74.049999999999997 110.745 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.52 96.49 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 122.208 1.004 . . . . 74.400000000000006 112.062 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -67.44 -45.99 74.42 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 124.981 1.313 . . . . 70.099999999999994 114.436 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.6 pt -65.2 -24.27 34.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 119.282 -2.136 . . . . 75.219999999999999 114.37 174.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -65.21 -35.64 81.7 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.22 -0.925 . . . . 64.049999999999997 111.484 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -76.24 -24.99 54.59 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.908 -1.12 . . . . 75.409999999999997 112.43 -175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.839 HD12 ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -68.17 153.51 43.59 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 127.434 2.293 . . . . 70.439999999999998 114.784 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -85.59 0.39 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.442 1.097 . . . . 73.239999999999995 111.776 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -129.46 155.45 45.7 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 107.337 -1.357 . . . . 75.099999999999994 107.337 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.96 119.55 40.65 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.433 -0.794 . . . . 72.519999999999996 111.068 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -69.85 151.89 68.71 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.427 2.085 . . . . 63.240000000000002 108.994 156.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.8 p -86.34 168.5 13.8 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 106.646 -1.612 . . . . 70.420000000000002 106.646 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.7 -28.93 70.29 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.26 -1.525 . . . . 74.030000000000001 113.002 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.85 -40.85 94.42 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.721 -1.237 . . . . 74.409999999999997 112.164 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.47 -44.48 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 126.227 1.811 . . . . 71.329999999999998 113.082 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.77 -47.26 81.67 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-N 119.535 1.061 . . . . 71.040000000000006 112.418 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.3 m -77.11 -33.2 20.05 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.092 0 O-C-N 121.484 -0.76 . . . . 73.140000000000001 109.318 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.26 99.84 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 119.464 -0.631 . . . . 65.129999999999995 114.096 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.472 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.0 mt-10 -63.85 -38.12 89.9 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.989 1.395 . . . . 70.420000000000002 113.661 173.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.6 mt -63.74 -51.32 65.44 Favored 'General case' 0 CA--C 1.477 -1.848 0 C-N-CA 124.682 1.193 . . . . 71.5 112.856 174.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 56' ' ' ALA . 27.0 mt -68.46 -40.72 80.95 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.154 -1.385 . . . . 63.140000000000001 111.117 -177.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.87 85.78 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.188 -1.57 . . . . 50.450000000000003 114.273 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.57 23.4 5.34 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.869 -1.144 . . . . 62.329999999999998 112.34 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.551 HG22 ' CE1' ' A' ' 70' ' ' HIS . 11.9 t . . . . . 0 C--O 1.265 1.881 0 O-C-N 119.383 -2.073 . . . . 51.119999999999997 113.849 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.517 2.889 0 N-CA-C 118.222 2.675 . . . . 53.210000000000001 118.222 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -93.56 118.52 31.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 121.021 -1.049 . . . . 71.150000000000006 108.837 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 47.63 27.0 0.93 Allowed 'General case' 0 C--N 1.353 0.737 0 C-N-CA 130.746 3.618 . . . . 70.150000000000006 115.553 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.33 -45.03 97.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 125.596 1.558 . . . . 71.099999999999994 112.505 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -67.4 -21.64 65.58 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.568 2.062 . . . . 73.120000000000005 116.568 -146.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -65.6 133.42 51.14 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.866 1.266 . . . . 75.120000000000005 110.168 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.41 -31.37 72.05 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 117.72 2.489 . . . . 61.100000000000001 117.72 -157.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 ttp -120.46 129.27 53.8 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.097 -1.075 . . . . 73.310000000000002 108.097 174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.4 p -128.92 162.74 26.83 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.339 -1.356 . . . . 71.200000000000003 107.339 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 pt -126.23 155.63 36.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 108.445 -0.946 . . . . 65.319999999999993 108.445 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -65.2 -37.85 88.61 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.535 1.134 . . . . 72.200000000000003 113.727 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.98 -29.81 69.9 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.046 2.138 . . . . 74.420000000000002 111.962 -171.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.29 -33.75 75.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 116.328 1.973 . . . . 71.319999999999993 116.328 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -63.63 -46.7 83.19 Favored Pre-proline 0 C--N 1.36 1.054 0 CA-C-N 120.704 1.593 . . . . 75.239999999999995 113.599 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.84 -26.57 44.58 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 CA-C-N 124.226 2.545 . . . . 71.420000000000002 114.561 166.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.8 ttm -69.89 -43.93 70.79 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.983 1.265 . . . . 54.43 112.376 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.99 -30.59 63.91 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.925 -1.109 . . . . 71.239999999999995 111.851 178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.22 99.73 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.591 0.756 . . . . 53.399999999999999 112.114 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.2 t -60.58 -47.0 88.15 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.56 -0.904 . . . . 72.420000000000002 108.56 179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -59.57 -42.89 93.51 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.004 -1.685 . . . . 73.310000000000002 112.988 -172.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.83 -39.58 56.45 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 114.33 1.233 . . . . 75.420000000000002 114.33 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.46 -39.02 86.07 Favored 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 125.557 1.543 . . . . 74.129999999999995 110.86 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.9 mt -83.36 -12.52 56.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.342 -0.845 . . . . 72.230000000000004 110.116 -177.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.61 48.01 12.37 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.87 2.068 . . . . 53.5 113.133 -174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.2 157.9 47.78 Favored Pre-proline 0 C--N 1.347 0.495 0 C-N-CA 124.708 1.203 . . . . 62.210000000000001 108.358 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.7 Cg_endo -73.97 167.19 27.82 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.71 2.273 . . . . 73.510000000000005 113.576 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.31 -33.23 73.26 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 128.239 2.616 . . . . 53.0 109.246 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.26 62.85 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 127.754 2.421 . . . . 51.32 113.882 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.7 m -100.96 -24.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 O-C-N 120.548 -1.345 . . . . 64.120000000000005 112.182 -173.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.0 ptm -65.93 -33.84 76.74 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.159 -1.588 . . . . 75.099999999999994 111.573 166.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.22 -20.28 61.58 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.349 0.87 . . . . 73.25 113.349 178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -62.3 -38.4 89.26 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 113.401 0.889 . . . . 71.120000000000005 113.401 171.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD2' HG12 ' A' ' 52' ' ' ILE . 21.0 t80 -61.47 -44.31 97.33 Favored 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.112 1.153 . . . . 73.099999999999994 114.112 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 41.1 p90 -70.89 -35.02 72.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 119.746 -1.847 . . . . 75.519999999999996 115.57 176.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.65 -18.01 64.56 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.246 1.818 . . . . 64.049999999999997 114.053 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -57.56 -40.62 79.33 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 127.349 2.26 . . . . 73.439999999999998 111.259 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -80.07 -8.75 59.54 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.725 0.81 . . . . 64.140000000000001 111.41 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.65 127.14 30.69 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.065 -1.022 . . . . 62.219999999999999 112.074 175.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -68.6 131.3 44.99 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.234 -1.541 . . . . 72.219999999999999 111.089 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.57 -8.19 74.51 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 121.688 -0.632 . . . . 20.34 113.74 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -96.65 138.03 34.84 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 119.237 1.518 . . . . 74.409999999999997 112.579 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -111.51 123.19 49.72 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 122.891 1.329 . . . . 73.319999999999993 107.845 166.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.88 123.46 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 125.111 1.365 . . . . 62.43 107.924 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.9 p -126.19 3.64 7.12 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.543 1.137 . . . . 54.200000000000003 111.078 -173.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -87.83 132.96 33.99 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 124.489 1.115 . . . . 45.539999999999999 111.873 -165.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -59.62 -33.33 71.37 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 126.463 1.905 . . . . 73.209999999999994 113.495 -173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.516 ' CD ' HG11 ' A' ' 29' ' ' VAL . 9.0 mt-10 -63.34 -31.63 72.83 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 116.384 1.994 . . . . 64.420000000000002 116.384 169.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.26 84.67 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 121.863 0.839 . . . . 43.119999999999997 110.738 178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.41 -41.02 99.48 Favored Glycine 0 CA--C 1.492 -1.403 0 O-C-N 121.044 -1.035 . . . . 75.109999999999999 113.944 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.26 -41.5 96.9 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.893 1.277 . . . . 72.420000000000002 111.244 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 5.5 p -69.01 -39.14 79.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 121.138 -0.976 . . . . 72.530000000000001 112.17 172.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 33' ' ' PHE . 46.1 mt -60.11 -46.25 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 O-C-N 119.353 -2.092 . . . . 65.230000000000004 113.327 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -67.33 -29.13 68.61 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.098 1.518 . . . . 74.409999999999997 115.098 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.1 t -66.07 -41.62 90.49 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 127.93 2.492 . . . . 53.310000000000002 114.619 171.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.45 -38.86 85.51 Favored 'General case' 0 C--N 1.37 1.458 0 O-C-N 118.625 -2.547 . . . . 73.439999999999998 112.759 172.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.514 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.91 -37.25 68.65 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 125.847 1.659 . . . . 63.149999999999999 114.484 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -81.46 -17.64 48.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.541 -0.724 . . . . 74.219999999999999 112.353 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -109.19 31.29 5.84 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.977 1.711 . . . . 72.329999999999998 112.918 -172.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 68' ' ' LEU . 92.2 mt -81.23 -24.2 37.54 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.338 -2.101 . . . . 73.109999999999999 110.485 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.39 -15.28 60.22 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.339 1.456 . . . . 73.219999999999999 112.975 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -26.62 62.57 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 126.758 2.023 . . . . 62.229999999999997 112.003 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD12 HD13 ' A' ' 68' ' ' LEU . 57.1 mt -74.44 161.33 29.92 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.682 1.993 . . . . 72.420000000000002 110.902 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.92 147.13 31.77 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.551 -1.343 . . . . 72.150000000000006 110.271 -172.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -61.49 -29.91 70.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 114.754 1.39 . . . . 74.030000000000001 114.754 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -58.63 -34.65 71.41 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.127 -1.608 . . . . 73.109999999999999 113.68 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.8 ptp -79.39 -13.71 59.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.811 -1.181 . . . . 70.010000000000005 112.984 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 63.36 24.25 14.12 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 128.548 2.739 . . . . 74.430000000000007 116.514 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.44 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -83.67 122.45 28.63 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 120.004 -1.685 . . . . 55.030000000000001 110.733 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -140.35 151.04 44.69 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.116 -1.438 . . . . 74.329999999999998 107.116 166.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.81 129.39 39.75 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.184 0.992 . . . . 74.25 113.271 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.88 -9.81 74.88 Favored Glycine 0 C--N 1.35 1.359 0 C-N-CA 125.264 1.411 . . . . 42.350000000000001 115.372 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -106.85 24.77 12.21 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.242 1.521 . . . . 75.349999999999994 111.752 -167.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.81 83.82 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 114.872 1.434 . . . . 71.099999999999994 114.872 -172.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.9 mtp -61.72 -41.22 97.33 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 119.523 1.056 . . . . 71.129999999999995 112.514 -175.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.52 -44.78 66.88 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 113.318 0.858 . . . . 72.239999999999995 113.318 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.6 -47.66 85.21 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 127.13 2.172 . . . . 61.539999999999999 112.835 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.68 93.16 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 113.621 0.971 . . . . 72.530000000000001 113.621 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.7 -35.83 81.85 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 114.04 1.126 . . . . 50.009999999999998 114.04 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -61.04 -28.25 68.92 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 120.767 -1.208 . . . . 72.209999999999994 112.788 172.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -94.97 14.64 21.07 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 125.784 1.634 . . . . 70.030000000000001 114.689 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.1 -1.74 63.13 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 121.113 -0.992 . . . . 74.120000000000005 114.026 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.51 141.44 57.88 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 118.35 1.075 . . . . 72.319999999999993 111.567 164.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -81.4 170.37 16.06 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.503 -1.998 . . . . 73.540000000000006 108.344 168.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.76 -34.58 78.66 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.576 -1.327 . . . . 72.530000000000001 112.624 -172.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.39 84.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.337 1.855 . . . . 74.140000000000001 112.297 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.3 mtt -68.24 -39.23 82.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 124.972 1.309 . . . . 71.230000000000004 112.407 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.67 -47.51 85.92 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.934 0.894 . . . . 73.420000000000002 112.847 176.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.17 -28.57 65.43 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.633 -1.292 . . . . 71.319999999999993 112.07 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -60.55 -42.42 96.53 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 115.016 1.487 . . . . 65.450000000000003 115.016 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.455 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.1 mt -63.16 -41.82 99.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 121.433 1.924 . . . . 64.109999999999999 112.328 175.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.09 -39.76 94.75 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.979 -1.076 . . . . 73.209999999999994 111.814 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.0 t70 -66.39 -41.23 89.68 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.453 1.501 . . . . 63.020000000000003 114.898 176.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.0 -44.9 92.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.298 1.039 . . . . 75.010000000000005 109.266 172.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -58.51 -50.62 73.1 Favored 'General case' 0 CA--C 1.495 -1.153 0 C-N-CA 123.372 0.669 . . . . 71.299999999999997 111.099 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 13.1 p80 -74.87 -27.99 60.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 117.69 -1.604 . . . . 63.32 109.664 -170.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -43.84 88.97 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.741 -1.572 . . . . 64.200000000000003 111.285 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.5 m -66.15 -32.64 74.2 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.98 1.312 . . . . 71.409999999999997 114.483 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.52 -24.6 66.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.847 1.259 . . . . 65.409999999999997 112.397 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -75.27 -40.06 59.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.227 1.811 . . . . 73.5 109.946 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 25.4 m -96.52 -29.58 3.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 C-N-CA 123.557 0.743 . . . . 73.430000000000007 111.309 -165.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.11 154.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-O 122.648 1.213 . . . . 73.420000000000002 113.402 173.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.1 m -67.1 122.79 18.56 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.814 -1.179 . . . . 73.540000000000006 111.502 164.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 54.4 mt -103.19 131.92 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 C-N-CA 128.978 2.911 . . . . 74.409999999999997 103.456 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -113.19 127.77 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.712 0 N-CA-C 106.291 -1.744 . . . . 75.099999999999994 106.291 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.82 93.55 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.485 1.291 . . . . 52.119999999999997 114.485 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.14 -40.18 95.6 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.885 1.674 . . . . 60.109999999999999 113.534 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -130.7 95.67 25.59 Favored Pre-proline 0 N--CA 1.448 -0.538 0 CA-C-O 117.903 -1.046 . . . . 71.209999999999994 109.976 -159.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -68.21 -13.51 38.1 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-N 123.331 2.225 . . . . 75.219999999999999 112.776 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.61 -44.63 77.58 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.782 1.233 . . . . 71.25 110.837 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.57 93.0 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.358 1.063 . . . . 71.310000000000002 111.701 171.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -57.1 -46.8 82.29 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.503 0.592 . . . . 64.430000000000007 112.595 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -46.83 76.58 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.958 2.207 . . . . 75.439999999999998 116.958 171.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.15 86.0 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.405 -1.434 . . . . 74.120000000000005 112.467 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.21 -41.51 99.15 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.644 0.778 . . . . 71.140000000000001 109.836 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.53 -45.96 88.17 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 121.255 -0.903 . . . . 71.109999999999999 112.357 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.1 99.71 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 124.842 1.257 . . . . 63.100000000000001 110.776 -174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -72.25 -29.03 63.53 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 116.178 -0.465 . . . . 74.349999999999994 110.891 177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.29 -46.57 64.04 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 120.568 -1.332 . . . . 71.25 113.776 167.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.6 t80 -55.22 -48.26 74.16 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.245 1.572 . . . . 71.319999999999993 115.245 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HA ' HG12 ' A' ' 123' ' ' ILE . 64.8 tttm -62.5 -32.2 73.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.02 0.914 . . . . 62.030000000000001 111.151 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.81 98.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-O 122.328 1.061 . . . . 73.030000000000001 111.943 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -68.69 -46.16 69.74 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.582 1.553 . . . . 71.329999999999998 114.051 176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.0 pt -64.68 -24.26 35.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 119.107 -2.246 . . . . 60.439999999999998 114.276 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.92 -32.63 74.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.293 1.037 . . . . 55.219999999999999 111.648 173.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -75.56 -26.94 58.38 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.946 -1.096 . . . . 74.319999999999993 112.601 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 45.6 mt -69.7 153.21 43.71 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.115 2.166 . . . . 73.5 115.406 -169.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -85.26 -0.48 54.83 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 124.93 1.292 . . . . 74.409999999999997 111.718 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -129.32 155.01 46.31 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 106.901 -1.518 . . . . 74.299999999999997 106.901 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.71 118.02 41.59 Favored Pre-proline 0 N--CA 1.443 -0.818 0 CA-C-O 118.536 -0.745 . . . . 54.200000000000003 111.307 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.4 147.72 65.78 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.267 1.978 . . . . 63.329999999999998 108.977 155.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 13.0 t -79.84 166.44 21.69 Favored 'General case' 0 C--N 1.348 0.535 0 N-CA-C 108.836 -0.802 . . . . 62.509999999999998 108.836 164.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.58 -33.56 74.1 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 120.807 -1.183 . . . . 63.509999999999998 111.456 -175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.39 -43.11 92.98 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.498 0.719 . . . . 65.340000000000003 112.261 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 p -82.53 -44.69 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 126.999 2.12 . . . . 73.239999999999995 114.914 173.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.33 82.77 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 121.299 -0.876 . . . . 54.009999999999998 113.264 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.28 -29.22 12.25 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 N-CA-C 108.097 -1.075 . . . . 74.439999999999998 108.097 174.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.19 99.56 Favored Glycine 0 C--N 1.353 1.519 0 CA-C-O 119.033 -0.87 . . . . 64.140000000000001 113.979 -174.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.455 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.1 mt-10 -64.42 -36.9 85.67 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.426 1.613 . . . . 75.140000000000001 113.395 173.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 119' ' ' PHE . 57.9 mt -62.63 -51.67 66.38 Favored 'General case' 0 CA--C 1.482 -1.661 0 N-CA-C 113.206 0.817 . . . . 75.120000000000005 113.206 171.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 56' ' ' ALA . 33.7 mt -69.43 -39.91 77.56 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.933 -1.03 . . . . 74.109999999999999 111.902 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.44 92.66 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 119.839 -1.788 . . . . 44.439999999999998 113.657 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -96.71 34.62 1.64 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.343 -0.848 . . . . 74.040000000000006 111.51 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.262 1.72 0 O-C-N 119.89 -1.756 . . . . 73.420000000000002 114.375 177.076 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.516 2.832 0 N-CA-C 114.639 1.348 . . . . 61.030000000000001 114.639 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.22 -43.04 99.72 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.643 -1.285 . . . . 62.140000000000001 114.09 -168.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -92.13 7.78 40.9 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 123.852 0.861 . . . . 73.420000000000002 112.87 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.8 t -103.72 -52.16 8.17 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 108.141 -1.059 . . . . 62.130000000000003 108.141 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.2 ptm -66.53 -33.9 76.72 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 114.299 1.222 . . . . 65.099999999999994 114.299 -153.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -139.55 128.77 23.93 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.809 -2.663 . . . . 64.299999999999997 103.809 169.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -77.07 144.17 38.75 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.834 1.05 . . . . 73.209999999999994 113.834 -172.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.6 tpp -143.65 142.1 30.87 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 107.418 -1.327 . . . . 73.219999999999999 107.418 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -143.74 156.57 44.56 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 105.613 -1.995 . . . . 72.409999999999997 105.613 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.54 159.75 42.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 108.131 -1.063 . . . . 72.319999999999993 108.131 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -154.67 157.22 37.8 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 104.897 -2.261 . . . . 73.209999999999994 104.897 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -65.06 -22.45 66.97 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.273 1.029 . . . . 74.340000000000003 113.589 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.76 68.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 115.997 1.851 . . . . 70.319999999999993 115.997 168.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -63.02 -44.85 86.06 Favored Pre-proline 0 C--N 1.352 0.694 0 CA-C-O 116.223 -1.846 . . . . 62.140000000000001 114.378 -174.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -68.15 -27.55 35.27 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 125.362 2.951 . . . . 74.310000000000002 112.913 167.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.0 ttp -77.71 -40.02 42.66 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 119.407 1.003 . . . . 73.040000000000006 112.016 -169.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.56 -32.82 73.01 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.217 -0.927 . . . . 75.409999999999997 111.768 172.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.07 94.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.485 1.114 . . . . 44.530000000000001 111.851 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.35 -0.61 8.49 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 115.186 1.55 . . . . 74.5 115.186 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -91.28 -48.19 7.06 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 119.627 -1.921 . . . . 74.319999999999993 110.237 164.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.45 -36.82 44.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 119.872 -1.768 . . . . 70.420000000000002 114.549 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.6 -37.8 79.55 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 127.731 2.412 . . . . 72.040000000000006 110.44 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -87.38 -10.13 52.92 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.164 -1.38 . . . . 61.020000000000003 109.288 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 58.52 46.68 14.56 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 126.919 2.088 . . . . 73.450000000000003 113.121 -174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -117.68 157.89 46.78 Favored Pre-proline 0 C--N 1.348 0.504 0 C-N-CA 124.369 1.068 . . . . 74.200000000000003 109.36 -175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HG2' HG13 ' A' ' 29' ' ' VAL . 72.2 Cg_endo -74.41 166.34 29.69 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.552 2.168 . . . . 75.129999999999995 113.504 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.06 -28.99 70.46 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 128.328 2.651 . . . . 74.540000000000006 109.805 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.35 68.52 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 127.35 2.26 . . . . 72.230000000000004 113.487 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 47' ' ' GLU . 10.2 m -99.79 -22.05 4.91 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 120.223 -1.548 . . . . 74.420000000000002 112.058 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.1 ptm -66.95 -32.24 73.36 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.115 -1.616 . . . . 74.099999999999994 112.138 166.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -76.51 -15.24 59.93 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.734 -1.228 . . . . 71.040000000000006 113.229 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.66 -37.75 79.57 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.063 -1.023 . . . . 71.140000000000001 112.809 167.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -60.26 -39.91 88.46 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.175 1.39 . . . . 74.030000000000001 114.509 168.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -62.86 -44.5 95.96 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 120.143 -1.598 . . . . 75.319999999999993 113.617 171.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -65.84 -25.39 67.18 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 127.015 2.126 . . . . 74.209999999999994 114.159 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.78 -41.81 78.31 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 127.096 2.158 . . . . 73.010000000000005 112.236 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -80.11 -9.56 59.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.578 -0.701 . . . . 74.540000000000006 111.937 -174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.85 131.69 49.66 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 124.004 0.922 . . . . 75.450000000000003 112.443 177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -66.02 128.56 36.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.418 -1.426 . . . . 74.219999999999999 110.962 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.94 -7.37 79.03 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.512 -0.742 . . . . 42.119999999999997 114.555 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -91.85 138.59 31.43 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.628 1.714 . . . . 74.239999999999995 113.167 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -114.64 115.36 27.01 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.804 -1.184 . . . . 55.340000000000003 107.804 168.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.56 125.94 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 124.431 1.092 . . . . 74.409999999999997 108.633 171.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -118.73 1.58 11.61 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.386 1.074 . . . . 71.349999999999994 111.966 -174.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -85.01 130.38 34.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.295 -0.878 . . . . 73.439999999999998 111.589 -167.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -59.27 -32.77 70.31 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.957 2.103 . . . . 74.420000000000002 113.262 -174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CD ' HG11 ' A' ' 29' ' ' VAL . 10.3 mt-10 -63.49 -30.87 71.93 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 116.278 1.955 . . . . 74.439999999999998 116.278 170.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.37 88.88 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 118.886 0.767 . . . . 34.439999999999998 111.47 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.34 95.05 Favored Glycine 0 CA--C 1.486 -1.742 0 O-C-N 120.164 -1.585 . . . . 71.25 112.917 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.3 -40.41 97.29 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.16 0.984 . . . . 64.340000000000003 111.114 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.27 -42.89 84.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 O-C-N 121.233 -0.917 . . . . 75.239999999999995 112.021 170.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.5 mt -60.45 -45.62 96.53 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 O-C-N 120.891 -1.13 . . . . 72.430000000000007 111.859 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.0 pp -68.14 -28.25 67.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 114.774 1.398 . . . . 62.240000000000002 114.774 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 53' ' ' LEU . 47.2 t -62.54 -42.34 99.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.555 1.542 . . . . 74.299999999999997 111.943 175.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.76 -38.35 84.92 Favored 'General case' 0 C--N 1.367 1.353 0 CA-C-N 120.884 1.675 . . . . 73.5 113.538 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -57.38 -36.94 71.88 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 126.338 1.855 . . . . 74.109999999999999 115.182 -173.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -69.23 -40.38 77.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 113.268 0.84 . . . . 73.409999999999997 113.268 168.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -98.21 38.8 1.28 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.82 1.648 . . . . 43.130000000000003 112.508 -167.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 68' ' ' LEU . 96.8 mt -79.52 -29.35 41.45 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-O 123.422 1.582 . . . . 74.25 111.289 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.85 -16.88 64.23 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.24 1.416 . . . . 73.239999999999995 111.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.19 -25.71 52.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.89 2.076 . . . . 71.120000000000005 110.831 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.6 mt -67.16 162.58 22.13 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 128.212 2.605 . . . . 72.120000000000005 110.965 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -66.77 120.96 14.41 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.868 -1.145 . . . . 64.219999999999999 111.207 -174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.83 -25.28 66.51 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.168 1.387 . . . . 53.109999999999999 113.801 -169.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.51 -33.92 64.18 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.62 1.968 . . . . 73.099999999999994 113.245 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.7 ptm -80.21 -10.05 59.74 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.899 1.227 . . . . 74.010000000000005 111.851 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 64.29 26.96 13.78 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.214 3.006 . . . . 75.230000000000004 115.773 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD2' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -81.21 122.41 27.36 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.823 -1.798 . . . . 73.209999999999994 112.596 -179.046 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -140.84 153.46 45.77 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.201 -1.407 . . . . 61.420000000000002 107.201 164.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.44 129.15 39.37 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.275 1.036 . . . . 72.230000000000004 112.724 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.85 -10.58 74.21 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 124.317 0.96 . . . . 73.400000000000006 114.333 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.08 23.8 11.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.709 1.203 . . . . 63.109999999999999 110.567 -174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.73 79.99 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 114.564 1.32 . . . . 61.210000000000001 114.564 -173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.48 -40.44 94.55 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 119.718 1.144 . . . . 60.140000000000001 112.497 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -71.06 -44.75 65.12 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.462 0.912 . . . . 72.209999999999994 113.462 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.96 -47.68 84.79 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 126.767 2.027 . . . . 74.239999999999995 113.324 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.54 93.89 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 120.993 -1.067 . . . . 73.400000000000006 113.138 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 99.2 mtp -63.41 -36.23 83.04 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.717 1.207 . . . . 74.329999999999998 113.434 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.52 -27.61 68.72 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.778 -1.201 . . . . 65.450000000000003 112.252 172.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -94.19 13.15 24.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.903 1.681 . . . . 63.109999999999999 114.355 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.83 0.68 63.94 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 121.09 -1.006 . . . . 74.430000000000007 114.414 167.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.56 58.04 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 118.51 1.155 . . . . 75.0 111.535 164.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -81.07 169.1 17.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 119.565 -1.959 . . . . 73.329999999999998 108.039 168.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.94 -34.63 78.88 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.643 -1.286 . . . . 71.400000000000006 112.625 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.32 86.93 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.369 1.868 . . . . 53.030000000000001 112.432 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.1 mtt -68.12 -39.42 82.76 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 124.921 1.289 . . . . 64.450000000000003 112.561 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.45 86.35 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.796 0.838 . . . . 62.100000000000001 113.078 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -69.08 -29.51 67.64 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.695 -1.253 . . . . 75.230000000000004 112.034 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.49 -42.26 95.96 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.782 1.401 . . . . 73.400000000000006 114.782 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.453 HD12 ' OE1' ' A' ' 138' ' ' GLU . 39.4 mt -63.18 -41.66 99.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 121.384 1.902 . . . . 74.230000000000004 112.927 176.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.45 -39.55 94.04 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.852 0.861 . . . . 44.310000000000002 111.467 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.68 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 32.7 t70 -66.88 -41.14 87.73 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 114.815 1.413 . . . . 75.019999999999996 114.815 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.95 -44.84 91.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 124.434 1.093 . . . . 61.149999999999999 109.385 171.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.1 -50.86 72.02 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 123.368 0.667 . . . . 70.209999999999994 111.169 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.5 p80 -75.7 -27.68 58.32 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 117.788 -1.565 . . . . 73.030000000000001 109.226 -169.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -43.98 89.59 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.835 -1.53 . . . . 74.340000000000003 111.24 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.483 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.9 m -66.59 -32.34 73.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.64 1.348 . . . . 72.430000000000007 114.64 175.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.55 -26.07 67.71 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.809 1.244 . . . . 71.420000000000002 112.209 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -75.69 -42.11 51.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.801 1.64 . . . . 74.340000000000003 109.675 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 97' ' ' CYS . 22.1 m -87.66 -33.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 C-N-CA 123.438 0.695 . . . . 73.5 111.998 -169.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -71.89 155.48 7.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 122.67 1.224 . . . . 75.140000000000001 113.912 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.4 m -66.95 122.31 17.44 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.846 -1.159 . . . . 72.430000000000007 111.525 164.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.19 132.27 51.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 C-N-CA 128.771 2.828 . . . . 71.109999999999999 103.836 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 t -113.52 128.39 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 106.148 -1.797 . . . . 63.439999999999998 106.148 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.32 89.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.132 1.16 . . . . 75.200000000000003 114.132 170.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -64.57 -37.9 89.16 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.751 1.62 . . . . 63.210000000000001 114.466 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -130.62 96.6 23.26 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-O 117.757 -1.116 . . . . 64.140000000000001 109.306 -162.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.42 -13.57 37.87 Favored 'Trans proline' 0 C--N 1.326 -0.646 0 CA-C-N 123.797 2.392 . . . . 65.150000000000006 112.913 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.33 -44.86 74.43 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 124.821 1.249 . . . . 40.030000000000001 110.995 -176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -45.54 93.14 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.391 1.077 . . . . 54.399999999999999 111.687 172.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 m -56.88 -46.2 82.02 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 118.067 0.394 . . . . 62.409999999999997 111.494 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.9 tpp -65.22 -49.52 69.37 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 120.691 -1.256 . . . . 71.530000000000001 114.039 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -45.51 78.9 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.853 1.261 . . . . 71.530000000000001 112.484 -176.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.73 -41.58 99.24 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.727 0.811 . . . . 71.319999999999993 109.62 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.33 -46.04 88.45 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 121.267 -0.896 . . . . 72.010000000000005 112.451 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.41 99.56 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.047 1.339 . . . . 63.450000000000003 110.49 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.4 ptm -73.88 -28.9 61.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.189 -0.459 . . . . 53.530000000000001 110.772 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 43.4 t -69.22 -46.49 67.25 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.674 -1.266 . . . . 63.43 113.511 166.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 139' ' ' LEU . 70.0 t80 -54.8 -47.93 73.39 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 115.225 1.565 . . . . 70.420000000000002 115.225 173.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.82 -30.84 71.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 123.572 0.749 . . . . 74.450000000000003 112.045 177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.453 1.12 . . . . 65.439999999999998 111.93 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -67.73 -46.79 71.18 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.456 1.502 . . . . 65.450000000000003 114.666 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.789 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.26 -20.64 26.98 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 O-C-N 118.645 -2.535 . . . . 72.420000000000002 115.524 173.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -63.05 -38.82 92.72 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.155 -0.966 . . . . 72.340000000000003 111.394 168.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -76.74 -26.05 54.18 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.431 -0.793 . . . . 75.200000000000003 113.134 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 123' ' ' ILE . 42.4 mt -67.1 153.25 44.13 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.983 2.113 . . . . 72.420000000000002 114.883 -176.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.02 -0.3 53.95 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.478 1.111 . . . . 55.240000000000002 111.792 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 17.7 p-90 -128.95 154.43 46.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.971 -1.492 . . . . 60.210000000000001 106.971 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.52 119.57 39.58 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.392 -0.813 . . . . 73.400000000000006 110.823 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 135' ' ' ALA . 72.2 Cg_endo -69.67 151.03 69.49 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.451 2.101 . . . . 75.219999999999999 109.26 158.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.1 p -87.35 169.13 12.53 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 106.902 -1.518 . . . . 71.129999999999995 106.902 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.0 -26.96 69.1 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.262 -1.524 . . . . 63.539999999999999 113.168 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.4 -40.48 94.54 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.56 -1.338 . . . . 43.43 112.212 174.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.38 -43.96 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 C-N-CA 126.231 1.812 . . . . 63.450000000000003 113.15 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.68 -47.63 80.44 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 119.466 1.03 . . . . 74.239999999999995 112.571 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -33.72 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 109.037 -0.727 . . . . 51.439999999999998 109.037 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.78 -41.89 99.68 Favored Glycine 0 C--N 1.353 1.504 0 O-C-N 121.765 -0.584 . . . . 51.450000000000003 113.838 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.453 ' OE1' HD12 ' A' ' 90' ' ' LEU . 18.6 mt-10 -64.43 -37.79 88.76 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.742 1.271 . . . . 53.409999999999997 113.74 174.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.1 mt -63.5 -51.57 64.99 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 124.549 1.14 . . . . 74.409999999999997 112.657 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' A' ' 56' ' ' ALA . 35.1 mt -68.35 -42.29 79.46 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 114.01 -1.45 . . . . 71.310000000000002 111.263 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.3 77.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 120.52 -1.363 . . . . 75.129999999999995 114.243 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -91.32 21.16 4.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.743 -1.223 . . . . 63.299999999999997 112.193 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.266 1.949 0 O-C-N 119.389 -2.069 . . . . 63.149999999999999 113.914 178.241 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.515 2.79 0 N-CA-C 114.545 1.313 . . . . 71.319999999999993 114.545 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -62.23 -43.16 99.46 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.551 1.54 . . . . 73.299999999999997 114.328 -167.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -94.99 9.91 37.62 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.264 1.026 . . . . 63.539999999999999 112.898 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.78 -55.52 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 106.226 -1.768 . . . . 64.400000000000006 106.226 -176.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.5 mtt 55.19 35.09 24.08 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 130.804 3.641 . . . . 54.119999999999997 115.176 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -138.67 140.9 38.99 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 106.182 -1.785 . . . . 63.299999999999997 106.182 175.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -119.79 158.45 26.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 124.082 0.953 . . . . 73.230000000000004 110.363 -175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.35 157.78 45.02 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.33 -0.989 . . . . 62.25 108.33 -176.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.1 p -75.8 -42.21 50.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.556 1.317 . . . . 63.43 114.556 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.9 pt -131.91 156.45 42.55 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 C-N-CA 123.734 0.814 . . . . 75.519999999999996 109.816 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -62.41 -36.65 83.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.109 1.363 . . . . 71.25 112.871 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -65.36 -19.34 65.91 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.759 1.624 . . . . 63.210000000000001 113.482 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.98 90.25 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 116.393 1.997 . . . . 72.430000000000007 116.393 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -63.71 -46.48 82.57 Favored Pre-proline 0 C--N 1.353 0.718 0 CA-C-O 116.612 -1.661 . . . . 74.409999999999997 114.228 -178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.92 -28.63 29.16 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 CA-C-N 124.745 2.73 . . . . 72.540000000000006 114.428 165.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.5 mtp -66.28 -42.81 87.88 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 121.939 2.154 . . . . 73.329999999999998 114.775 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.74 -32.47 71.02 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.78 -1.2 . . . . 74.519999999999996 111.509 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.87 91.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 123.913 0.885 . . . . 55.329999999999998 112.39 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -74.12 -0.93 18.14 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.897 1.279 . . . . 74.519999999999996 113.779 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -48.47 7.97 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 119.582 -1.949 . . . . 65.120000000000005 110.32 164.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -79.68 -37.49 35.72 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.94 -1.725 . . . . 52.109999999999999 114.471 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -59.63 -38.03 80.25 Favored 'General case' 0 CA--C 1.493 -1.249 0 C-N-CA 128.172 2.589 . . . . 52.149999999999999 110.211 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.1 -6.96 56.67 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.213 -1.358 . . . . 73.140000000000001 109.435 -174.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.63 46.23 20.69 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 128.071 2.548 . . . . 62.210000000000001 113.898 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.53 160.27 36.92 Favored Pre-proline 0 C--N 1.35 0.621 0 C-N-CA 124.349 1.06 . . . . 74.540000000000006 110.284 -173.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HG2' HG13 ' A' ' 29' ' ' VAL . 70.1 Cg_endo -72.35 165.21 33.33 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.684 2.256 . . . . 74.340000000000003 113.918 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -62.41 -30.58 71.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 128.684 2.794 . . . . 60.130000000000003 109.611 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.2 70.09 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 127.549 2.34 . . . . 72.340000000000003 113.03 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.59 HG13 ' HG2' ' A' ' 26' ' ' PRO . 2.4 m -85.39 -34.9 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.685 -1.259 . . . . 63.450000000000003 112.802 -177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptm -66.09 -31.93 73.1 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 119.709 -1.87 . . . . 73.519999999999996 112.124 176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.4 pp0? -72.03 -20.32 61.71 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 121.909 0.862 . . . . 74.019999999999996 113.154 178.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.78 -38.81 92.07 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.439 -0.788 . . . . 74.329999999999998 113.043 172.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -61.34 -43.79 98.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 114.493 1.294 . . . . 72.409999999999997 114.493 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 42.1 p90 -71.61 -36.12 70.7 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 115.435 1.643 . . . . 73.129999999999995 115.435 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.43 -24.18 67.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.427 1.491 . . . . 70.209999999999994 113.791 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -56.53 -39.83 74.04 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 127.703 2.401 . . . . 74.239999999999995 111.637 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -75.4 -13.37 60.39 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.722 0.809 . . . . 75.450000000000003 112.426 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.63 126.25 27.31 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.16 -0.962 . . . . 73.409999999999997 109.737 168.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.06 127.72 34.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.344 -1.472 . . . . 73.209999999999994 114.635 -164.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.74 -10.78 58.9 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.198 -0.91 . . . . 34.100000000000001 113.592 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -66.61 134.02 51.47 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.125 1.463 . . . . 73.510000000000005 113.025 -168.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -88.06 78.82 8.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 122.527 1.156 . . . . 72.239999999999995 113.811 -162.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.77 119.31 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 122.022 0.915 . . . . 63.399999999999999 109.486 172.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p -128.46 0.91 5.63 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.552 1.541 . . . . 45.299999999999997 110.777 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -83.75 127.75 34.03 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 124.351 1.06 . . . . 72.420000000000002 109.653 -169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -58.6 -34.0 70.63 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 126.32 1.848 . . . . 71.409999999999997 113.761 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.6 -22.33 64.45 Favored 'General case' 0 CA--C 1.475 -1.922 0 N-CA-C 117.341 2.349 . . . . 75.310000000000002 117.341 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.47 -41.5 66.26 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.386 0.994 . . . . 73.140000000000001 109.385 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.23 -40.28 97.82 Favored Glycine 0 CA--C 1.491 -1.409 0 CA-C-O 117.903 -1.498 . . . . 53.32 113.822 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.3 m -67.12 -37.83 84.54 Favored 'General case' 0 C--N 1.369 1.434 0 CA-C-N 120.198 1.999 . . . . 74.219999999999999 111.404 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.33 -41.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.145 -0.972 . . . . 64.430000000000007 112.156 171.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.1 mt -60.06 -45.91 94.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 120.325 -1.484 . . . . 75.109999999999999 112.902 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 54' ' ' CYS . 3.2 pp -67.38 -28.18 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 115.104 1.52 . . . . 75.109999999999999 115.104 176.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.446 ' N ' HD12 ' A' ' 53' ' ' LEU . 48.0 t -64.93 -41.24 95.71 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.939 1.696 . . . . 52.240000000000002 113.09 171.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.85 -39.9 86.76 Favored 'General case' 0 C--N 1.366 1.326 0 CA-C-N 122.524 2.42 . . . . 73.430000000000007 112.732 172.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.89 -36.27 69.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 125.475 1.51 . . . . 71.310000000000002 114.545 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -81.96 -12.82 58.17 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 113.537 0.94 . . . . 72.109999999999999 113.537 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -119.15 46.34 1.91 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 126.002 1.721 . . . . 63.5 112.911 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.0 mt -88.3 -17.65 30.22 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 125.624 1.57 . . . . 72.430000000000007 111.289 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -60.24 -37.86 81.69 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 128.938 2.895 . . . . 75.519999999999996 110.405 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.93 -28.91 70.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.97 2.908 . . . . 54.229999999999997 111.221 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.34 161.59 30.14 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.716 2.006 . . . . 71.209999999999994 109.387 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.88 135.41 41.52 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.963 -1.711 . . . . 74.209999999999994 108.686 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.19 -26.0 66.01 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.269 1.028 . . . . 71.420000000000002 113.632 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.49 -33.25 69.58 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.303 1.441 . . . . 73.439999999999998 113.702 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.2 ptp -79.51 -10.54 59.82 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 119.988 1.267 . . . . 63.210000000000001 111.902 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m120 64.01 28.21 14.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 129.357 3.063 . . . . 62.100000000000001 115.346 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 120.75 24.59 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.8 . . . . 65.129999999999995 111.383 179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -136.7 153.11 50.97 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.74 -1.948 . . . . 72.129999999999995 105.74 168.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.73 131.05 47.62 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.4 1.095 . . . . 75.040000000000006 112.594 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.71 -12.36 67.42 Favored Glycine 0 C--N 1.344 1.015 0 C-N-CA 124.642 1.115 . . . . 44.32 113.964 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.75 20.56 12.81 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.585 1.554 . . . . 62.25 110.748 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.79 78.94 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 125.286 1.434 . . . . 51.350000000000001 114.157 -171.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.8 mtt -61.02 -41.08 95.86 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.444 1.02 . . . . 63.0 112.276 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -71.71 -44.6 63.88 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 113.449 0.907 . . . . 64.319999999999993 113.449 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.36 -47.44 86.05 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.192 2.197 . . . . 70.219999999999999 113.155 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.86 93.22 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 121.038 -1.039 . . . . 74.120000000000005 112.892 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 68.7 mtm -63.15 -36.09 82.46 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 113.967 1.099 . . . . 64.329999999999998 113.967 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -61.01 -28.14 68.82 Favored 'General case' 0 C--N 1.357 0.922 0 O-C-N 120.836 -1.165 . . . . 71.230000000000004 112.291 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.25 13.39 25.69 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.85 1.66 . . . . 72.209999999999994 114.525 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.77 0.85 63.94 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 121.069 -1.019 . . . . 44.149999999999999 114.264 167.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.86 142.14 57.42 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.403 1.101 . . . . 73.129999999999995 111.313 163.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -81.01 170.17 16.58 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.456 -2.027 . . . . 62.25 108.308 169.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.51 -34.95 79.41 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.606 -1.309 . . . . 73.310000000000002 112.652 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -44.47 81.44 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.329 1.852 . . . . 70.409999999999997 112.316 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.6 mmt -70.32 -36.52 74.32 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.273 1.029 . . . . 54.329999999999998 112.103 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.45 85.98 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.997 0.919 . . . . 74.340000000000003 113.095 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -70.5 -27.3 64.09 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.43 -1.419 . . . . 72.030000000000001 112.365 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.37 -42.01 94.95 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 114.61 1.337 . . . . 70.319999999999993 114.61 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' A' ' 138' ' ' GLU . 48.5 mt -63.36 -41.59 98.84 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 121.3 1.864 . . . . 74.310000000000002 112.693 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.4 -40.35 95.62 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.322 -0.861 . . . . 74.340000000000003 111.736 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.664 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 34.5 t70 -65.88 -41.49 91.49 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 125.574 1.55 . . . . 64.319999999999993 115.024 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.67 -44.81 90.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.861 0 C-N-CA 124.43 1.092 . . . . 55.229999999999997 109.277 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 3.9 tttt -58.17 -54.22 49.39 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 123.134 0.573 . . . . 54.240000000000002 110.295 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.664 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 8.3 p80 -69.79 -31.69 69.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 O-C-N 120.927 -1.108 . . . . 73.040000000000006 109.589 -171.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -65.01 -43.62 91.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 114.207 -1.361 . . . . 75.140000000000001 111.167 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 100' ' ' VAL . 16.9 m -66.11 -32.49 73.98 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.349 1.611 . . . . 65.310000000000002 115.349 173.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 35.6 mt-10 -60.7 -29.02 69.07 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.068 1.347 . . . . 70.140000000000001 111.013 -176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -71.93 -41.29 68.0 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 127.842 2.457 . . . . 73.209999999999994 110.357 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 97' ' ' CYS . 24.5 m -94.97 -28.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 C-N-CA 123.237 0.615 . . . . 53.149999999999999 111.187 -164.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -72.9 156.24 6.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-O 122.656 1.217 . . . . 42.140000000000001 113.894 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.0 m -67.51 123.28 19.99 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.934 -1.104 . . . . 73.439999999999998 111.675 163.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.5 mt -104.3 131.75 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 128.85 2.86 . . . . 73.340000000000003 103.564 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.39 128.65 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 105.855 -1.906 . . . . 73.439999999999998 105.855 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.72 89.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 114.754 1.39 . . . . 63.210000000000001 114.754 170.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -65.0 -37.94 89.32 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.661 1.584 . . . . 64.150000000000006 114.735 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -128.9 92.99 38.27 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-O 118.272 -0.87 . . . . 74.510000000000005 108.844 -161.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.34 -13.96 36.6 Favored 'Trans proline' 0 C--N 1.331 -0.342 0 C-N-CA 122.71 2.273 . . . . 71.310000000000002 112.317 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 72.3 m -70.52 -43.37 69.77 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.225 1.41 . . . . 55.43 110.724 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -45.79 92.41 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 121.084 -1.01 . . . . 64.010000000000005 112.08 169.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.0 m -56.81 -45.63 82.15 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 118.534 0.607 . . . . 72.340000000000003 111.648 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.29 -50.41 65.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 114.308 1.225 . . . . 62.520000000000003 114.308 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.963 1.305 . . . . 63.329999999999998 112.729 -177.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.34 -41.72 98.81 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.585 0.754 . . . . 75.109999999999999 109.689 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.39 -46.05 88.22 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 121.116 -0.99 . . . . 75.409999999999997 112.337 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.66 99.56 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 125.04 1.336 . . . . 64.510000000000005 110.761 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.1 ptm -72.38 -28.88 63.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 119.099 -0.476 . . . . 73.25 111.133 177.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.48 -46.22 64.18 Favored 'General case' 0 C--N 1.369 1.437 0 CA-C-N 120.124 1.329 . . . . 50.530000000000001 113.409 167.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.4 t80 -54.61 -48.0 72.73 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.719 1.378 . . . . 73.019999999999996 114.719 173.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.88 -32.3 73.53 Favored 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 124.006 0.922 . . . . 62.43 111.303 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.29 99.16 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 122.536 1.16 . . . . 61.210000000000001 112.008 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -68.38 -45.79 71.77 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.874 1.27 . . . . 74.219999999999999 114.358 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.0 pt -67.03 -20.08 26.5 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 O-C-N 118.732 -2.48 . . . . 60.149999999999999 115.644 172.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -62.31 -40.25 95.7 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 124.278 1.031 . . . . 72.450000000000003 111.657 167.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -72.08 -28.04 63.06 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 113.453 0.908 . . . . 62.409999999999997 113.453 -175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 123' ' ' ILE . 46.7 mt -68.07 151.57 46.84 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.179 2.192 . . . . 71.349999999999994 115.826 -172.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.97 -0.45 48.76 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 113.642 -1.617 . . . . 75.319999999999993 112.587 -176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.7 p-90 -133.39 155.67 49.05 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.226 -1.768 . . . . 74.420000000000002 106.226 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.66 39.97 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 118.443 -0.789 . . . . 71.340000000000003 110.956 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.76 150.73 68.59 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.331 2.02 . . . . 62.350000000000001 109.191 157.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -87.21 168.93 12.78 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 106.866 -1.531 . . . . 72.040000000000006 106.866 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.94 -26.99 69.08 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.271 -1.518 . . . . 62.039999999999999 113.1 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.9 -40.03 91.52 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.773 -1.204 . . . . 73.439999999999998 111.899 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.3 -43.91 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 C-N-CA 126.454 1.902 . . . . 72.310000000000002 113.34 -173.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.35 -47.27 82.83 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.704 1.138 . . . . 72.230000000000004 112.62 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 m -77.33 -33.76 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 O-C-N 121.534 -0.729 . . . . 64.040000000000006 109.096 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.86 -41.17 99.61 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 121.652 -0.655 . . . . 71.299999999999997 113.859 -172.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.478 ' OE1' HD12 ' A' ' 90' ' ' LEU . 17.8 mt-10 -64.06 -38.03 89.6 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.741 1.271 . . . . 71.340000000000003 113.992 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 119' ' ' PHE . 48.7 mt -63.56 -51.96 63.12 Favored 'General case' 0 CA--C 1.478 -1.798 0 C-N-CA 124.778 1.231 . . . . 74.530000000000001 112.57 174.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 56' ' ' ALA . 25.5 mt -68.34 -40.83 81.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 113.981 -1.463 . . . . 73.409999999999997 111.318 -176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.09 81.45 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.383 -1.448 . . . . 53.340000000000003 114.161 174.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -90.48 18.85 5.76 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.94 -1.1 . . . . 71.340000000000003 112.191 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.405 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 13.7 t . . . . . 0 C--O 1.266 1.952 0 O-C-N 119.587 -1.946 . . . . 75.519999999999996 114.108 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.517 2.912 0 N-CA-C 115.5 1.667 . . . . 71.409999999999997 115.5 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.62 -43.83 97.83 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 124.555 1.142 . . . . 74.219999999999999 113.623 -170.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -83.52 1.15 43.33 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 114.592 1.33 . . . . 74.219999999999999 114.592 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.32 -51.91 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 N-CA-C 107.622 -1.251 . . . . 61.409999999999997 107.622 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.25 67.04 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 114.564 1.32 . . . . 72.349999999999994 114.564 -155.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 14.01 13.68 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 125.988 1.715 . . . . 74.329999999999998 115.373 -168.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.52 -35.83 80.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 127.36 2.264 . . . . 75.0 113.367 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.8 mtm -124.48 132.62 53.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 104.674 -2.343 . . . . 65.409999999999997 104.674 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -153.77 156.9 38.59 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 107.769 -1.197 . . . . 74.209999999999994 107.769 -176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt 73.19 110.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.842 0 C-N-CA 127.83 2.452 . . . . 72.299999999999997 114.074 173.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -144.48 131.76 20.72 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 102.335 -3.209 . . . . 74.120000000000005 102.335 159.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.8 p90 46.16 32.78 1.54 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.759 2.423 . . . . 73.5 116.719 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.19 81.04 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 118.238 2.681 . . . . 62.109999999999999 118.238 -173.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.07 -46.54 91.54 Favored Pre-proline 0 C--N 1.349 0.583 0 CA-C-O 117.094 -1.431 . . . . 63.549999999999997 113.051 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.39 -26.11 29.65 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 CA-C-N 124.043 2.48 . . . . 75.439999999999998 114.991 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 80.9 mmm -65.69 -45.17 83.84 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 121.252 1.842 . . . . 74.25 114.154 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.06 -32.18 64.87 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 121.148 -0.97 . . . . 75.030000000000001 111.291 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.62 87.87 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 118.63 -0.7 . . . . 60.420000000000002 112.715 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.526 ' SG ' HD11 ' A' ' 23' ' ' LEU . 10.4 t -60.94 -46.43 90.73 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.619 1.1 . . . . 72.019999999999996 108.275 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.98 -42.27 93.83 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.228 -1.545 . . . . 74.019999999999996 112.54 -171.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -77.05 -37.85 53.84 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.793 -1.192 . . . . 33.329999999999998 113.999 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -58.91 -39.33 81.2 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 127.164 2.186 . . . . 75.319999999999993 110.385 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 ' SG ' ' A' ' 19' ' ' CYS . 16.6 mt -86.32 -10.97 53.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.346 -0.843 . . . . 61.020000000000003 109.961 -175.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.2 47.09 14.86 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 126.547 1.939 . . . . 54.210000000000001 112.769 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.91 160.39 38.97 Favored Pre-proline 0 CA--C 1.511 -0.534 0 C-N-CA 125.061 1.344 . . . . 74.099999999999994 108.204 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 29' ' ' VAL . 73.2 Cg_endo -74.1 173.77 13.55 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 122.086 1.858 . . . . 71.409999999999997 113.871 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -58.62 -40.06 82.24 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 129.646 3.179 . . . . 61.32 112.653 171.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.6 -31.43 64.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 128.499 2.719 . . . . 35.329999999999998 113.641 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 47' ' ' GLU . 5.1 m -101.49 -26.13 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 120.833 -1.167 . . . . 73.420000000000002 112.084 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -66.26 -31.6 72.51 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.121 -1.612 . . . . 73.019999999999996 111.926 167.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.534 ' HA ' ' CD2' ' A' ' 34' ' ' PHE . 2.2 pp0? -72.7 -19.58 61.38 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 113.646 0.98 . . . . 75.540000000000006 113.646 178.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.09 -39.0 90.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.456 -0.777 . . . . 63.009999999999998 113.071 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' A' ' 52' ' ' ILE . 17.9 t80 -60.71 -43.89 97.24 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 114.06 1.133 . . . . 72.219999999999999 114.06 175.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 31' ' ' GLN . 45.5 p90 -72.29 -35.6 68.73 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.677 1.732 . . . . 74.400000000000006 115.677 176.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.03 -24.64 67.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.737 1.615 . . . . 71.400000000000006 113.52 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.42 -39.2 69.94 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 128.493 2.717 . . . . 71.219999999999999 111.654 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -79.02 -11.66 60.01 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.701 0.8 . . . . 73.439999999999998 111.073 -173.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -67.94 125.18 25.49 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 121.244 -0.91 . . . . 73.540000000000006 109.331 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.61 126.83 30.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.602 -1.311 . . . . 75.319999999999993 114.288 -167.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.69 -13.04 67.74 Favored Glycine 0 C--N 1.353 1.507 0 C-N-CA 124.77 1.176 . . . . 74.140000000000001 113.906 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -68.21 135.09 51.47 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.317 1.558 . . . . 73.519999999999996 113.252 -170.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -88.43 77.84 8.02 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.787 -1.196 . . . . 73.140000000000001 113.598 -165.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mm -91.47 117.22 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.97 0.891 . . . . 44.240000000000002 108.648 171.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -129.45 5.87 5.22 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 124.57 1.148 . . . . 74.510000000000005 110.088 -175.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -90.94 131.96 36.24 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.031 0.932 . . . . 74.129999999999995 111.696 -161.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -59.44 -33.23 71.01 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.636 1.974 . . . . 75.349999999999994 113.705 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CD ' HG11 ' A' ' 29' ' ' VAL . 8.0 mt-10 -63.5 -29.81 71.03 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 116.508 2.04 . . . . 71.409999999999997 116.508 169.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.63 85.51 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 119.009 0.822 . . . . 73.430000000000007 111.392 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.28 94.94 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.325 -1.484 . . . . 54.149999999999999 113.462 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -63.63 -41.24 98.29 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.389 1.076 . . . . 73.409999999999997 110.92 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' HD23 ' A' ' 55' ' ' LEU . 6.7 p -69.94 -40.46 78.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 121.275 -0.89 . . . . 71.420000000000002 111.425 172.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG12 ' CD2' ' A' ' 33' ' ' PHE . 50.6 mt -59.9 -45.93 94.51 Favored 'Isoleucine or valine' 0 C--N 1.341 0.225 0 O-C-N 119.374 -2.079 . . . . 61.340000000000003 113.007 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 4.4 pp -67.39 -28.91 68.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 114.587 1.328 . . . . 74.430000000000007 114.587 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.41 -41.39 89.34 Favored 'General case' 0 N--CA 1.428 -1.529 0 C-N-CA 126.507 1.923 . . . . 74.430000000000007 114.171 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.6 mm? -61.0 -37.7 83.44 Favored 'General case' 0 C--N 1.367 1.333 0 O-C-N 118.917 -2.365 . . . . 75.310000000000002 112.192 173.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.51 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -55.26 -35.04 64.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.154 1.781 . . . . 53.450000000000003 115.368 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -82.74 -19.08 38.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.584 -0.698 . . . . 75.230000000000004 112.583 173.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -111.14 37.44 2.84 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.075 1.75 . . . . 71.439999999999998 112.783 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 68' ' ' LEU . 90.9 mt -84.42 -18.71 35.14 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 119.897 -1.752 . . . . 71.439999999999998 111.118 -177.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.18 -34.48 75.12 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.115 2.566 . . . . 70.530000000000001 109.651 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -28.06 69.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 128.55 2.74 . . . . 74.120000000000005 111.791 179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD13 ' A' ' 68' ' ' LEU . 68.9 mt -69.43 159.28 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 126.814 2.046 . . . . 73.010000000000005 112.098 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.07 131.13 43.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.806 -1.184 . . . . 65.510000000000005 111.793 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.29 -26.36 67.73 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 114.265 1.209 . . . . 65.450000000000003 114.265 -174.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.32 -34.62 66.72 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.172 1.389 . . . . 53.43 113.493 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 26.5 ptm -81.22 -12.43 59.15 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.73 -1.231 . . . . 52.409999999999997 112.254 177.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 60.28 32.0 20.62 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 128.041 2.536 . . . . 71.239999999999995 116.187 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -81.8 122.33 27.55 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 120.246 -1.534 . . . . 74.120000000000005 110.821 176.262 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -141.16 149.41 41.45 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.974 -1.491 . . . . 70.319999999999993 106.974 165.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.541 ' CE1' HG22 ' A' ' 143' ' ' THR . 6.7 t60 -65.49 130.87 44.84 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.597 1.159 . . . . 73.439999999999998 111.313 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.49 -11.71 70.58 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 124.12 0.867 . . . . 71.109999999999999 115.051 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.71 26.87 8.58 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.685 1.243 . . . . 74.040000000000006 110.55 -172.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.98 83.71 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 114.42 1.267 . . . . 73.209999999999994 114.42 -173.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.8 mtp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 119.644 1.111 . . . . 75.310000000000002 112.326 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.44 -44.99 70.17 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 113.281 0.845 . . . . 74.549999999999997 113.281 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.57 -47.83 84.47 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 126.672 1.989 . . . . 72.230000000000004 113.102 175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.38 95.2 Favored 'General case' 0 N--CA 1.437 -1.105 0 O-C-N 121.131 -0.981 . . . . 75.209999999999994 113.087 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.2 mtm -63.7 -36.33 83.5 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 114.037 1.125 . . . . 72.239999999999995 114.037 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.18 -27.65 68.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.673 -1.267 . . . . 43.210000000000001 112.504 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -94.18 13.61 22.72 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.659 1.583 . . . . 65.200000000000003 114.573 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.9 0.45 63.95 Favored Glycine 0 C--N 1.351 1.4 0 O-C-N 120.976 -1.078 . . . . 34.109999999999999 114.365 167.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.93 143.02 57.07 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 118.439 1.12 . . . . 73.140000000000001 111.365 163.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -81.85 170.55 15.53 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.621 -1.925 . . . . 71.219999999999999 108.164 167.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.62 -34.87 79.28 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.609 -1.307 . . . . 72.120000000000005 112.574 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.8 87.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.437 1.895 . . . . 62.539999999999999 112.542 173.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.1 mtt -67.96 -39.54 83.36 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.524 1.13 . . . . 64.040000000000006 112.282 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.4 86.61 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.694 0.798 . . . . 54.149999999999999 112.902 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -69.61 -29.04 66.46 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.825 -1.172 . . . . 71.019999999999996 111.742 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.78 -43.03 98.61 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 115.038 1.496 . . . . 71.329999999999998 115.038 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 ' OE1' ' A' ' 138' ' ' GLU . 64.0 mt -63.43 -41.87 98.68 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 121.442 1.928 . . . . 62.530000000000001 112.343 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.89 -39.46 94.24 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.951 -1.093 . . . . 74.120000000000005 111.611 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.662 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 31.7 t70 -67.0 -41.23 87.07 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 115.085 1.513 . . . . 73.040000000000006 115.085 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.78 -44.8 91.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.454 1.101 . . . . 70.150000000000006 109.144 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -58.29 -50.64 72.9 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 123.396 0.678 . . . . 75.340000000000003 111.164 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.7 p80 -75.38 -27.98 59.33 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 117.715 -1.594 . . . . 73.409999999999997 109.38 -169.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.9 t -65.51 -43.77 89.04 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.754 -1.566 . . . . 73.040000000000006 111.298 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.481 ' HA ' HG22 ' A' ' 100' ' ' VAL . 14.6 m -66.47 -32.61 74.09 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.505 1.298 . . . . 33.340000000000003 114.505 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.61 -24.71 66.87 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.727 1.211 . . . . 75.420000000000002 112.414 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -75.23 -40.17 59.27 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.212 1.805 . . . . 62.149999999999999 110.019 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 97' ' ' CYS . 26.1 m -96.24 -29.04 3.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.441 0.696 . . . . 75.019999999999996 111.378 -164.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.86 155.06 7.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-O 122.586 1.184 . . . . 72.510000000000005 113.583 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.9 m -66.75 123.52 20.34 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.827 -1.17 . . . . 73.129999999999995 111.682 164.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 53.9 mt -104.41 132.14 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 0 C-N-CA 128.536 2.734 . . . . 64.450000000000003 103.729 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 t -112.64 128.15 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 N-CA-C 106.265 -1.754 . . . . 75.230000000000004 106.265 177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.6 91.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 114.37 1.248 . . . . 64.109999999999999 114.37 171.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.75 -39.89 95.38 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.052 1.741 . . . . 43.439999999999998 113.567 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -130.13 98.6 20.91 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-O 117.619 -1.181 . . . . 72.219999999999999 109.212 -160.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.51 -13.9 38.5 Favored 'Trans proline' 0 C--N 1.326 -0.606 0 CA-C-N 123.908 2.432 . . . . 72.239999999999995 112.777 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.5 m -70.21 -44.81 67.87 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.999 1.319 . . . . 53.039999999999999 110.924 -174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.31 95.06 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.963 -1.086 . . . . 70.129999999999995 111.925 171.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.5 m -56.62 -46.55 80.87 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 118.267 0.485 . . . . 73.219999999999999 111.687 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -65.79 -48.42 71.83 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 120.61 -1.307 . . . . 64.319999999999993 113.805 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -45.18 79.2 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 125.223 1.409 . . . . 74.120000000000005 112.293 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -62.62 -41.38 98.98 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.481 0.712 . . . . 63.030000000000001 109.843 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.05 -46.18 88.7 Favored 'General case' 0 CA--C 1.495 -1.165 0 O-C-N 121.278 -0.889 . . . . 61.509999999999998 112.544 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.85 99.66 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 124.576 1.15 . . . . 73.129999999999995 110.926 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -73.05 -28.94 62.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.294 -0.412 . . . . 73.109999999999999 110.832 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.2 t -69.79 -46.77 65.02 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 120.602 -1.311 . . . . 51.240000000000002 113.556 167.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 139' ' ' LEU . 73.9 t80 -55.11 -47.63 74.72 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 115.073 1.509 . . . . 73.230000000000004 115.073 174.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.425 ' HA ' HG12 ' A' ' 123' ' ' ILE . 27.0 ttpp -62.78 -32.0 73.08 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-O 122.214 1.006 . . . . 73.150000000000006 111.075 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.03 99.84 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 122.688 1.232 . . . . 45.229999999999997 112.516 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -67.64 -46.83 71.32 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.164 1.786 . . . . 62.5 113.596 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.851 ' HA ' HD12 ' A' ' 126' ' ' LEU . 18.7 pt -67.29 -23.35 30.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 O-C-N 119.117 -2.24 . . . . 65.400000000000006 114.305 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -61.5 -42.33 98.64 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 124.717 1.207 . . . . 64.019999999999996 111.563 169.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -77.82 -23.01 49.16 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 113.286 0.847 . . . . 74.230000000000004 113.286 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' A' ' 123' ' ' ILE . 41.3 mt -66.64 153.97 41.75 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 127.544 2.338 . . . . 74.209999999999994 115.32 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.29 -0.12 48.23 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.121 1.368 . . . . 74.519999999999996 111.874 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 16.3 p-90 -132.64 155.64 48.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 106.81 -1.552 . . . . 74.230000000000004 106.81 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -114.82 119.09 39.95 Favored Pre-proline 0 N--CA 1.443 -0.78 0 CA-C-O 118.455 -0.783 . . . . 73.340000000000003 111.202 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.1 152.76 67.68 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.52 2.146 . . . . 74.239999999999995 109.028 157.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.3 p -84.82 168.73 14.84 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 106.507 -1.664 . . . . 61.219999999999999 106.507 172.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -32.76 72.8 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.299 -1.5 . . . . 64.450000000000003 112.542 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -60.18 -39.93 88.2 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 123.582 0.753 . . . . 74.299999999999997 112.091 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.89 -45.27 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 C-N-CA 126.619 1.967 . . . . 52.329999999999998 112.152 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.55 82.99 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.329 0.862 . . . . 42.399999999999999 113.329 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.2 -30.01 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 C-N-CA 118.751 -1.18 . . . . 75.209999999999994 108.103 175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.75 99.81 Favored Glycine 0 C--N 1.356 1.654 0 C-N-CA 120.62 -0.8 . . . . 74.310000000000002 114.161 -172.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.462 ' OE1' HD12 ' A' ' 90' ' ' LEU . 19.2 mt-10 -64.53 -37.03 86.14 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 118.989 1.395 . . . . 75.420000000000002 113.629 174.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 119' ' ' PHE . 51.7 mt -63.83 -51.88 62.7 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 124.519 1.127 . . . . 62.409999999999997 112.688 173.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 56' ' ' ALA . 24.7 mt -68.27 -41.51 80.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.316 -1.311 . . . . 64.109999999999999 111.437 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.84 -38.33 87.81 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 119.883 -1.761 . . . . 54.100000000000001 114.339 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.53 28.13 3.93 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.805 -1.184 . . . . 73.439999999999998 112.014 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 70' ' ' HIS . 13.4 t . . . . . 0 C--O 1.264 1.841 0 O-C-N 119.508 -1.995 . . . . 65.319999999999993 113.792 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.518 2.95 0 N-CA-C 115.525 1.676 . . . . 71.439999999999998 115.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -62.68 -42.03 99.41 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.729 -1.232 . . . . 71.329999999999998 113.079 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.68 3.64 43.89 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 114.453 1.279 . . . . 63.299999999999997 114.453 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -102.26 -49.99 10.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 C-N-CA 124.294 1.038 . . . . 72.109999999999999 108.442 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.34 -31.79 72.3 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.531 1.308 . . . . 74.349999999999994 114.531 -153.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -146.04 152.64 39.67 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 105.547 -2.019 . . . . 70.040000000000006 105.547 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -61.3 -35.15 76.55 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.275 1.213 . . . . 53.130000000000003 114.275 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 tpt -133.07 132.98 42.39 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 106.065 -1.828 . . . . 55.439999999999998 106.065 162.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.2 m -115.61 122.48 45.75 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.214 -1.402 . . . . 74.219999999999999 107.214 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -123.82 123.74 67.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 107.828 -1.175 . . . . 63.420000000000002 107.828 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -65.89 -37.94 87.46 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.124 1.37 . . . . 72.310000000000002 113.507 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.66 -38.39 78.06 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 127.631 2.372 . . . . 70.299999999999997 112.693 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.14 -19.72 64.84 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 118.002 2.593 . . . . 61.119999999999997 118.002 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -56.61 -45.18 99.96 Favored Pre-proline 0 C--N 1.35 0.621 0 CA-C-O 116.072 -1.918 . . . . 74.409999999999997 115.692 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.03 -27.87 42.04 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 CA-C-N 125.713 3.076 . . . . 74.109999999999999 114.303 169.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -67.25 -42.83 83.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 121.465 1.939 . . . . 64.209999999999994 113.342 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.55 -31.79 67.39 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 121.162 -0.961 . . . . 61.240000000000002 112.191 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.39 93.56 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.075 -1.016 . . . . 65.420000000000002 112.682 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.48 -0.66 18.23 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.91 1.284 . . . . 50.329999999999998 113.709 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.9 -49.04 7.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.638 -1.914 . . . . 71.510000000000005 110.123 164.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.41 -37.85 36.2 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.256 -1.527 . . . . 71.109999999999999 114.321 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.7 -37.95 80.27 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 128.237 2.615 . . . . 73.329999999999998 110.265 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.68 -7.8 53.81 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 114.09 -1.414 . . . . 72.540000000000006 109.233 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 56.5 45.38 22.55 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 127.623 2.369 . . . . 73.430000000000007 113.547 -174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.92 158.77 41.48 Favored Pre-proline 0 C--N 1.349 0.576 0 C-N-CA 124.215 1.006 . . . . 52.100000000000001 109.004 -174.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HG2' HG13 ' A' ' 29' ' ' VAL . 74.1 Cg_endo -73.68 167.13 28.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.73 2.287 . . . . 71.120000000000005 113.836 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.98 -35.58 75.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.693 2.797 . . . . 60.399999999999999 109.126 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.22 -30.52 66.56 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 127.652 2.381 . . . . 74.109999999999999 114.38 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 26' ' ' PRO . 5.1 m -99.58 -26.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 O-C-N 120.481 -1.387 . . . . 63.200000000000003 111.686 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -65.1 -29.53 70.4 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 118.474 -2.641 . . . . 61.340000000000003 112.173 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.55 -16.82 59.52 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 121.267 -0.896 . . . . 71.049999999999997 112.719 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 p30 -67.54 -29.15 68.47 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.0 -1.063 . . . . 65.219999999999999 111.427 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.36 -42.39 98.63 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.136 1.775 . . . . 75.420000000000002 114.612 166.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -65.07 -43.2 93.0 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 120.231 -1.543 . . . . 64.010000000000005 113.166 173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -66.13 -25.02 66.78 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.297 1.839 . . . . 61.140000000000001 114.419 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.07 -42.09 79.97 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 126.776 2.031 . . . . 74.239999999999995 112.345 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -72.03 -18.37 61.96 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 124.684 1.193 . . . . 70.019999999999996 112.917 -176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -63.58 135.77 57.05 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.181 1.392 . . . . 73.409999999999997 110.428 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -65.51 117.02 7.4 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 120.384 -1.447 . . . . 73.310000000000002 114.343 -160.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.22 85.62 Favored Glycine 0 C--N 1.357 1.703 0 C-N-CA 125.023 1.297 . . . . 61.310000000000002 114.97 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.22 135.25 50.29 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.134 1.467 . . . . 74.219999999999999 113.443 -166.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -88.16 81.31 7.4 Favored 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 120.678 -1.264 . . . . 74.0 113.878 -165.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 mm -94.25 119.35 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.833 0.825 . . . . 71.129999999999995 109.26 173.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.4 p -123.59 -4.82 8.19 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 124.959 1.304 . . . . 74.450000000000003 111.622 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -83.79 134.61 34.72 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.167 0.987 . . . . 74.129999999999995 112.439 -162.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.02 -31.99 70.47 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 125.618 1.567 . . . . 70.329999999999998 113.756 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.4 mt-10 -61.9 -30.47 70.91 Favored 'General case' 0 CA--C 1.488 -1.429 0 N-CA-C 114.559 1.318 . . . . 63.520000000000003 114.559 171.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 118.107 0.412 . . . . 75.049999999999997 111.326 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.43 -39.72 97.15 Favored Glycine 0 CA--C 1.487 -1.668 0 O-C-N 120.533 -1.354 . . . . 73.230000000000004 112.783 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.5 m -63.77 -40.42 96.65 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 123.88 0.872 . . . . 74.239999999999995 111.256 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.14 -42.88 85.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.128 -0.983 . . . . 62.530000000000001 111.712 171.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.71 -45.69 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 O-C-N 120.633 -1.292 . . . . 53.049999999999997 112.27 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 54' ' ' CYS . 2.6 pp -67.65 -28.11 67.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 114.661 1.356 . . . . 54.409999999999997 114.661 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' HD12 ' A' ' 53' ' ' LEU . 50.5 t -62.58 -42.88 99.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.84 1.656 . . . . 74.109999999999999 112.187 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.72 -38.67 85.87 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 121.301 1.864 . . . . 73.120000000000005 113.739 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.37 -36.23 68.59 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 126.311 1.844 . . . . 73.540000000000006 115.076 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.89 -16.0 52.07 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 113.849 1.055 . . . . 72.019999999999996 113.849 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -116.14 45.49 1.75 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.414 -1.429 . . . . 61.140000000000001 112.167 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.66 -13.13 32.32 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 124.078 1.894 . . . . 75.420000000000002 110.263 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -63.27 -34.05 76.83 Favored 'General case' 0 CA--C 1.505 -0.754 0 C-N-CA 129.287 3.035 . . . . 71.209999999999994 110.473 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.18 -29.83 68.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 128.595 2.758 . . . . 73.430000000000007 110.89 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 161.05 31.21 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.413 2.285 . . . . 64.219999999999999 110.636 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.06 138.09 45.69 Favored 'General case' 0 N--CA 1.442 -0.848 0 O-C-N 120.378 -1.451 . . . . 71.129999999999995 112.778 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.47 -28.21 69.66 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.801 -1.187 . . . . 65.450000000000003 113.442 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -57.24 -37.44 72.29 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.095 1.758 . . . . 72.420000000000002 113.513 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.4 ptm -76.69 -14.77 59.93 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.857 -1.152 . . . . 70.209999999999994 112.317 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.4 m120 69.1 24.24 6.2 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 130.426 3.49 . . . . 75.209999999999994 117.002 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -79.01 123.78 27.63 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 119.562 -1.961 . . . . 74.239999999999995 112.238 179.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -141.01 158.61 43.69 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 121.344 -0.848 . . . . 75.430000000000007 109.258 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -67.11 132.33 47.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.802 0.841 . . . . 75.299999999999997 109.491 -170.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.8 -13.49 42.57 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 121.1 -1.0 . . . . 74.510000000000005 114.273 173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -90.47 15.35 10.89 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 125.795 1.638 . . . . 71.510000000000005 111.065 -171.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.8 76.15 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 127.43 2.292 . . . . 72.129999999999995 113.473 -169.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 67.3 mtt -59.9 -41.67 92.13 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.615 -1.303 . . . . 74.239999999999995 112.579 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.67 -42.45 24.73 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 123.863 1.792 . . . . 72.409999999999997 115.179 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.473 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 26.9 t80 -59.04 -44.83 91.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 111.841 -2.436 . . . . 73.109999999999999 113.014 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -59.18 -40.32 85.28 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.751 -1.218 . . . . 53.439999999999998 113.138 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.9 mtm -62.93 -36.65 84.13 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.708 1.203 . . . . 73.019999999999996 113.432 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -60.87 -27.57 68.22 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 120.875 -1.141 . . . . 74.409999999999997 112.361 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 42.8 m170 -93.81 11.85 27.85 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.081 1.352 . . . . 74.120000000000005 114.236 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.44 2.59 63.53 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 120.727 -1.233 . . . . 14.220000000000001 114.638 169.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.92 144.5 56.2 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 118.646 1.223 . . . . 52.109999999999999 111.204 162.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -82.86 172.05 13.25 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.768 -1.833 . . . . 74.030000000000001 108.581 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -64.91 -31.81 73.22 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.452 -1.405 . . . . 75.310000000000002 112.95 -171.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.24 71.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.388 1.475 . . . . 40.210000000000001 112.408 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -64.05 -40.36 96.12 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.949 2.1 . . . . 70.010000000000005 113.102 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.59 88.86 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 124.828 1.251 . . . . 63.229999999999997 112.984 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -77.52 -27.82 51.87 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.683 0.793 . . . . 72.239999999999995 112.235 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -60.03 -42.26 94.01 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 114.764 1.394 . . . . 75.349999999999994 114.764 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 135' ' ' ALA . 59.4 mt -62.57 -41.64 99.06 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 120.929 1.695 . . . . 65.329999999999998 112.491 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.69 -39.52 93.81 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 120.99 -1.069 . . . . 72.450000000000003 111.684 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.658 ' HA ' ' CD2' ' A' ' 95' ' ' HIS . 33.4 t70 -66.24 -40.98 90.62 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.325 1.45 . . . . 55.299999999999997 114.858 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.94 -44.26 90.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 124.401 1.08 . . . . 72.409999999999997 109.843 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -58.14 -50.41 73.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 123.484 0.714 . . . . 71.129999999999995 111.13 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.658 ' CD2' ' HA ' ' A' ' 92' ' ' ASP . 12.2 p80 -73.53 -28.96 62.16 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 123.087 1.422 . . . . 75.430000000000007 109.585 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 t -65.53 -41.32 93.23 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 113.325 -1.761 . . . . 52.32 112.295 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.48 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.6 m -68.6 -35.65 77.64 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.543 1.312 . . . . 74.450000000000003 114.543 173.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.34 -29.42 68.88 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.79 1.236 . . . . 71.340000000000003 113.049 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -85.94 -19.48 30.4 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 122.773 0.429 . . . . 70.420000000000002 112.023 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.5 m -101.09 -31.2 3.19 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 O-C-N 121.402 -0.811 . . . . 71.310000000000002 111.314 -175.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.7 pt -70.36 156.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.857 1.429 . . . . 63.530000000000001 114.857 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.5 m -68.35 126.68 30.37 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.956 -1.09 . . . . 54.310000000000002 112.315 164.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.426 HG12 HG23 ' A' ' 111' ' ' THR . 68.8 mt -112.11 132.76 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 129.131 2.972 . . . . 72.349999999999994 103.709 177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.9 t -114.19 128.34 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 105.81 -1.922 . . . . 61.43 105.81 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.43 90.02 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.44 1.274 . . . . 74.230000000000004 114.44 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.46 -38.39 90.87 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.462 1.505 . . . . 63.32 114.203 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -127.58 95.88 34.29 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-O 117.772 -1.109 . . . . 73.030000000000001 108.658 -162.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.43 -13.84 38.51 Favored 'Trans proline' 0 C--N 1.327 -0.569 0 CA-C-N 123.772 2.383 . . . . 61.140000000000001 112.831 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.92 -44.18 70.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.004 1.322 . . . . 75.439999999999998 110.843 -175.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -44.79 96.19 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 121.023 -1.048 . . . . 73.040000000000006 111.325 173.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 103' ' ' ILE . 66.9 m -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 111.711 0.263 . . . . 74.239999999999995 111.711 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 13.7 tpt -65.92 -48.38 71.6 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.718 -1.239 . . . . 63.32 113.58 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -45.18 82.15 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.134 1.374 . . . . 64.340000000000003 112.333 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.67 -41.61 99.18 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 123.884 0.874 . . . . 75.140000000000001 109.801 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.31 -46.48 86.51 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.288 -0.882 . . . . 61.549999999999997 112.323 175.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.18 98.0 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.726 1.21 . . . . 74.109999999999999 111.112 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.2 ptm -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.1 -0.476 . . . . 74.239999999999995 111.051 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 47.9 t -69.31 -46.62 66.67 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 120.028 1.285 . . . . 72.0 113.468 167.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD1' HD11 ' A' ' 139' ' ' LEU . 69.3 t80 -55.19 -48.37 73.91 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 115.129 1.529 . . . . 72.239999999999995 115.129 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -63.85 -29.14 70.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-O 121.732 0.777 . . . . 63.149999999999999 111.916 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 118' ' ' CYS . . . -62.27 -44.36 96.71 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 122.544 1.164 . . . . 65.030000000000001 112.044 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.29 -46.32 73.94 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 125.645 1.578 . . . . 71.329999999999998 114.172 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' A' ' 126' ' ' LEU . 39.2 pt -67.26 -21.03 27.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 O-C-N 118.718 -2.489 . . . . 71.319999999999993 115.472 172.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -63.94 -39.78 94.93 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 121.174 -0.954 . . . . 74.209999999999994 111.601 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -77.45 -25.07 50.24 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.12 0.785 . . . . 70.010000000000005 113.12 -173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.8 mt -65.98 151.54 46.58 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 127.362 2.265 . . . . 75.319999999999993 115.282 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -82.69 0.08 45.0 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.744 -1.571 . . . . 71.409999999999997 112.789 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -132.63 154.87 49.65 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 105.791 -1.929 . . . . 74.129999999999995 105.791 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -115.66 119.13 38.18 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-O 118.448 -0.787 . . . . 75.310000000000002 111.147 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.55 153.57 65.2 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.358 2.039 . . . . 70.340000000000003 110.048 158.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.5 p -84.4 169.64 14.38 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 106.927 -1.508 . . . . 72.140000000000001 106.927 171.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -35.63 77.57 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.349 -1.47 . . . . 75.109999999999999 111.809 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -62.57 -26.06 68.39 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 124.367 1.067 . . . . 73.030000000000001 113.475 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.81 -46.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 126.58 1.952 . . . . 71.230000000000004 110.958 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.402 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.48 -46.54 85.68 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.249 -1.532 . . . . 54.439999999999998 114.039 178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.17 -29.28 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.054 0 O-C-N 120.722 -1.236 . . . . 64.400000000000006 108.24 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.02 -44.19 96.42 Favored Glycine 0 C--N 1.359 1.842 0 CA-C-O 119.779 -0.456 . . . . 74.530000000000001 113.237 -174.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.436 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -66.93 -37.78 84.96 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 118.691 1.245 . . . . 71.420000000000002 113.447 177.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 119' ' ' PHE . 53.5 mt -63.53 -51.34 65.9 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 124.628 1.171 . . . . 72.129999999999995 112.827 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 56' ' ' ALA . 68.2 mt -68.38 -38.43 81.35 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.457 -1.247 . . . . 75.030000000000001 111.754 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.451 -1.406 . . . . 71.439999999999998 114.521 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -96.67 33.36 1.86 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.2 -0.937 . . . . 72.540000000000006 111.74 -175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.261 1.676 0 O-C-N 119.93 -1.731 . . . . 61.229999999999997 114.472 178.704 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.519 2.996 0 N-CA-C 115.295 1.591 . . . . 74.230000000000004 115.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -66.08 -45.24 81.97 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.73 1.212 . . . . 74.5 112.073 -177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -77.93 -2.55 37.38 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.545 1.538 . . . . 74.140000000000001 114.985 -174.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.24 -48.57 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 114.421 -1.263 . . . . 74.319999999999993 109.855 166.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -72.87 -42.35 63.75 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.747 -1.115 . . . . 73.030000000000001 111.754 -151.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -131.08 139.48 49.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 103.665 -2.717 . . . . 74.040000000000006 103.665 167.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.1 133.29 50.42 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.914 0.886 . . . . 74.239999999999995 112.148 -173.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.3 mtt -134.36 150.95 50.96 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.899 -0.778 . . . . 65.109999999999999 108.899 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -143.74 153.34 42.32 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 104.467 -2.42 . . . . 71.420000000000002 104.467 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 tp -144.72 142.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 108.231 -1.026 . . . . 45.109999999999999 108.231 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -87.06 -179.23 6.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.849 1.26 . . . . 61.229999999999997 111.553 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -79.92 53.1 1.61 Allowed 'General case' 0 C--N 1.352 0.705 0 O-C-N 119.931 -1.73 . . . . 74.209999999999994 113.556 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.53 -15.73 55.97 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 127.73 2.412 . . . . 74.030000000000001 114.525 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -58.38 -45.69 99.68 Favored Pre-proline 0 C--N 1.348 0.509 0 CA-C-O 116.366 -1.778 . . . . 74.400000000000006 113.649 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.49 -25.53 35.14 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 CA-C-N 125.088 2.853 . . . . 73.400000000000006 114.472 169.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -75.6 -42.61 51.42 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 119.602 1.092 . . . . 71.349999999999994 111.225 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.9 -32.05 65.08 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.319 -0.863 . . . . 72.049999999999997 111.722 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.75 96.4 Favored 'General case' 0 CA--C 1.503 -0.843 0 O-C-N 121.478 -0.764 . . . . 72.310000000000002 112.618 169.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' SG ' HD11 ' A' ' 23' ' ' LEU . 8.8 t -61.06 -46.03 92.32 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 108.282 -1.007 . . . . 52.109999999999999 108.282 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -59.15 -43.3 92.07 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.02 -1.675 . . . . 65.230000000000004 112.566 -172.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.63 -38.66 54.33 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 114.356 1.243 . . . . 61.130000000000003 114.356 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.63 -39.23 83.62 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 126.085 1.754 . . . . 75.120000000000005 110.653 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD11 ' SG ' ' A' ' 19' ' ' CYS . 15.6 mt -84.52 -11.97 55.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.215 -0.902 . . . . 64.049999999999997 110.111 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.6 47.4 13.29 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.852 2.061 . . . . 70.040000000000006 112.998 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.26 157.56 50.83 Favored Pre-proline 0 C--N 1.348 0.502 0 C-N-CA 124.698 1.199 . . . . 72.400000000000006 108.427 -175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HG2' HG13 ' A' ' 29' ' ' VAL . 71.7 Cg_endo -74.91 165.65 30.93 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.206 1.937 . . . . 50.32 113.138 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.22 -25.68 68.18 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 127.584 2.354 . . . . 71.400000000000006 110.257 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.86 69.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.378 1.871 . . . . 73.120000000000005 114.179 174.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG13 ' HG2' ' A' ' 26' ' ' PRO . 6.0 m -101.34 -24.92 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 120.763 -1.211 . . . . 74.409999999999997 111.233 -176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.85 -29.88 69.91 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 118.569 -2.582 . . . . 74.420000000000002 111.112 171.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -77.13 -16.64 59.09 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 121.319 -0.863 . . . . 71.129999999999995 112.163 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -67.55 -28.74 68.05 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.864 -1.148 . . . . 74.030000000000001 111.444 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.811 2.045 . . . . 75.400000000000006 114.367 166.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.54 -42.91 98.38 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 120.234 -1.541 . . . . 72.450000000000003 112.785 172.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -65.52 -29.47 70.11 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 126.549 1.939 . . . . 71.140000000000001 114.144 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.83 -40.3 72.63 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 127.593 2.357 . . . . 72.439999999999998 112.667 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -78.71 -8.82 59.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 121.531 -0.731 . . . . 72.409999999999997 112.751 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -63.72 130.79 45.66 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.971 -1.08 . . . . 64.109999999999999 110.011 165.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -65.73 118.49 9.67 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.503 -1.373 . . . . 73.519999999999996 112.535 -162.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 1.44 85.94 Favored Glycine 0 C--N 1.353 1.521 0 C-N-CA 124.299 0.952 . . . . 22.329999999999998 115.467 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -68.13 136.03 53.06 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.303 1.551 . . . . 64.510000000000005 112.555 -171.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -86.6 80.26 8.64 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.694 -1.254 . . . . 72.129999999999995 113.352 -163.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mm -99.33 116.25 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 107.519 -1.289 . . . . 63.210000000000001 107.519 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -125.83 7.65 7.44 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.488 1.115 . . . . 62.039999999999999 110.402 -172.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -88.09 132.5 34.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.152 0.981 . . . . 74.239999999999995 111.682 -164.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -59.31 -32.56 70.17 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 126.259 1.824 . . . . 74.519999999999996 113.57 -175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' CD ' HG11 ' A' ' 29' ' ' VAL . 14.3 mt-10 -62.44 -31.77 72.53 Favored 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 115.637 1.717 . . . . 71.099999999999994 115.637 170.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.98 -43.63 91.43 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 121.373 0.606 . . . . 44.130000000000003 110.911 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -39.93 97.6 Favored Glycine 0 CA--C 1.487 -1.684 0 O-C-N 120.773 -1.204 . . . . 64.340000000000003 112.678 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.67 -41.33 98.18 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.706 0.802 . . . . 74.040000000000006 111.19 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 p -68.88 -41.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 121.081 -1.012 . . . . 72.239999999999995 111.933 172.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.92 -46.02 97.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 O-C-N 119.858 -1.776 . . . . 61.119999999999997 112.294 -175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 54' ' ' CYS . 1.8 pp -67.57 -29.09 68.37 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.441 1.645 . . . . 74.140000000000001 115.441 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.522 ' N ' HD12 ' A' ' 53' ' ' LEU . 43.2 t -62.98 -41.99 99.71 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 127.661 2.384 . . . . 73.299999999999997 112.904 176.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.8 mm? -60.19 -35.62 75.78 Favored 'General case' 0 C--N 1.366 1.322 0 CA-C-N 120.05 1.295 . . . . 70.219999999999999 113.852 174.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' HD22 ' A' ' 140' ' ' LEU . . . -56.5 -38.33 71.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.988 1.477 . . . . 63.530000000000001 114.988 -176.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.95 -40.78 75.23 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-O 122.454 1.121 . . . . 71.439999999999998 112.521 169.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -89.24 42.68 1.1 Allowed 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.155 1.782 . . . . 74.409999999999997 113.807 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.54 -16.55 27.0 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 123.736 1.731 . . . . 73.040000000000006 109.767 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -62.13 -34.6 76.66 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 128.105 2.562 . . . . 73.310000000000002 110.115 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.58 -28.86 68.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.53 2.732 . . . . 64.25 111.901 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 68' ' ' LEU . 77.7 mt -69.88 157.6 37.11 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 126.599 1.959 . . . . 63.240000000000002 112.472 -173.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -71.4 131.2 43.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 121.031 -1.043 . . . . 71.400000000000006 111.552 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -60.81 -25.98 66.97 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.23 1.412 . . . . 74.5 113.974 -175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -55.5 -34.95 65.06 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 125.309 1.444 . . . . 64.519999999999996 113.43 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.5 ptp -76.09 -21.9 56.2 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.746 -1.221 . . . . 72.540000000000006 112.401 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 63.3 37.55 10.93 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.594 3.157 . . . . 72.319999999999993 117.921 -173.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HG ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -86.79 125.18 33.77 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.098 -1.626 . . . . 72.430000000000007 110.704 173.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -137.13 165.45 26.05 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 118.106 -1.437 . . . . 62.130000000000003 107.422 159.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -67.13 131.63 46.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.979 -1.701 . . . . 71.310000000000002 113.632 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.3 -12.0 70.73 Favored Glycine 0 C--N 1.348 1.22 0 C-N-CA 125.403 1.478 . . . . 74.239999999999995 116.718 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 19.53 20.24 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 120.841 2.321 . . . . 74.409999999999997 112.916 -160.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.87 66.96 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 127.486 2.314 . . . . 53.530000000000001 113.803 -168.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.9 mtt -60.33 -38.76 84.76 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.994 1.27 . . . . 75.219999999999999 112.93 -175.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.71 -44.71 32.32 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 113.234 0.827 . . . . 73.430000000000007 113.234 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE1' ' CE1' ' A' ' 80' ' ' HIS . 34.0 t80 -60.43 -44.09 96.13 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.662 2.385 . . . . 74.109999999999999 114.291 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' ' CD ' ' A' ' 138' ' ' GLU . . . -57.82 -41.22 81.78 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 124.352 1.061 . . . . 35.409999999999997 113.1 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.4 -35.78 81.54 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 114.234 1.198 . . . . 71.420000000000002 114.234 173.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.94 -28.45 68.97 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.842 -1.161 . . . . 70.439999999999998 112.208 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.577 ' CE1' ' CE1' ' A' ' 76' ' ' PHE . 37.7 m170 -94.84 12.66 27.3 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 125.636 1.574 . . . . 72.530000000000001 114.171 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.61 0.64 64.47 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 120.948 -1.095 . . . . 63.109999999999999 114.337 168.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 143.39 55.85 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.513 1.157 . . . . 74.299999999999997 110.812 162.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -83.03 173.44 11.76 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.549 -1.969 . . . . 71.400000000000006 108.301 169.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.34 -32.23 73.75 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 120.248 -1.533 . . . . 71.420000000000002 112.864 -172.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.13 75.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.783 1.633 . . . . 63.43 112.194 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -64.23 -40.73 96.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.994 1.718 . . . . 73.439999999999998 112.974 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.36 89.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.292 1.037 . . . . 74.120000000000005 112.699 176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -74.11 -28.7 61.48 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.629 0.772 . . . . 71.340000000000003 111.819 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.8 -42.94 98.62 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 115.139 1.533 . . . . 44.329999999999998 115.139 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 135' ' ' ALA . 61.5 mt -63.13 -41.41 99.31 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 121.33 1.877 . . . . 74.530000000000001 112.275 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.09 -40.1 95.49 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.915 -1.116 . . . . 64.200000000000003 111.923 172.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.02 -42.6 94.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 125.294 1.438 . . . . 74.109999999999999 112.78 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.5 -45.03 94.2 Favored 'Isoleucine or valine' 0 C--N 1.361 1.096 0 C-N-CA 124.525 1.13 . . . . 74.409999999999997 109.974 176.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -59.38 -55.39 35.35 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 121.865 -0.522 . . . . 72.209999999999994 111.638 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -70.93 -25.34 62.71 Favored 'General case' 0 N--CA 1.439 -1.023 0 O-C-N 120.677 -1.264 . . . . 64.219999999999999 112.054 -174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.6 t -65.76 -42.21 91.16 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 122.846 1.307 . . . . 73.0 112.666 170.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.471 ' HA ' HG22 ' A' ' 100' ' ' VAL . 20.9 m -68.05 -34.7 76.94 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.702 -1.249 . . . . 61.539999999999999 114.105 174.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.37 -29.07 68.69 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 125.092 1.357 . . . . 75.109999999999999 113.003 -176.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -19.29 29.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 112.198 0.444 . . . . 75.120000000000005 112.198 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 97' ' ' CYS . 31.8 m -100.54 -30.29 3.24 Favored 'Isoleucine or valine' 0 C--N 1.362 1.134 0 O-C-N 121.4 -0.813 . . . . 41.140000000000001 111.29 -175.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.09 155.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 N-CA-C 114.876 1.436 . . . . 70.140000000000001 114.876 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -66.76 127.02 30.85 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 121.049 -1.032 . . . . 61.43 112.428 164.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -112.13 133.03 59.14 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.61 0 C-N-CA 129.445 3.098 . . . . 73.219999999999999 103.222 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -112.34 129.54 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 N-CA-C 105.478 -2.045 . . . . 63.200000000000003 105.478 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.27 98.95 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 113.46 0.911 . . . . 74.409999999999997 113.46 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -77.22 -24.02 51.33 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 116.058 1.873 . . . . 71.349999999999994 116.058 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -133.91 97.78 15.08 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-O 117.869 -1.063 . . . . 62.32 109.385 -168.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -68.77 -13.59 37.29 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 CA-C-N 123.741 2.372 . . . . 63.439999999999998 112.704 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 79.2 m -70.4 -45.21 66.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 124.82 1.248 . . . . 64.420000000000002 111.188 -175.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -44.83 96.53 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.405 1.082 . . . . 74.010000000000005 111.938 172.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.8 m -55.03 -47.51 74.63 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 123.823 0.849 . . . . 73.239999999999995 111.178 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -46.45 62.46 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.36 -1.463 . . . . 73.409999999999997 113.862 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -43.81 92.2 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.021 -1.675 . . . . 74.209999999999994 112.607 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.3 -41.61 98.65 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 123.725 0.81 . . . . 64.519999999999996 109.849 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.75 -47.03 85.3 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 121.345 -0.847 . . . . 71.120000000000005 112.422 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.05 98.42 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.342 1.457 . . . . 51.219999999999999 110.432 -174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.2 ptp -69.92 -31.28 68.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 119.384 -0.341 . . . . 62.549999999999997 110.59 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 46.8 t -70.11 -46.44 64.8 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 120.797 -1.189 . . . . 61.130000000000003 113.556 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 139' ' ' LEU . 74.7 t80 -55.65 -47.77 76.1 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 114.751 1.389 . . . . 70.230000000000004 114.751 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' A' ' 123' ' ' ILE . 58.6 tptt -61.56 -33.17 73.4 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.804 1.241 . . . . 71.340000000000003 112.142 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.98 99.73 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 122.495 1.141 . . . . 64.219999999999999 112.501 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -67.28 -47.13 71.56 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.032 1.333 . . . . 72.239999999999995 114.239 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 126' ' ' LEU . 17.4 pt -67.61 -22.41 28.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 O-C-N 118.989 -2.32 . . . . 70.209999999999994 114.359 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -62.12 -42.88 99.67 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.918 1.287 . . . . 70.140000000000001 111.627 168.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -78.22 -23.46 47.43 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 113.483 0.92 . . . . 71.519999999999996 113.483 -171.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 123' ' ' ILE . 40.0 mt -65.95 153.19 42.75 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.326 2.25 . . . . 64.420000000000002 115.138 -177.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.13 -0.06 50.5 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.026 1.33 . . . . 61.219999999999999 112.066 -176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -131.2 154.29 48.57 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 106.198 -1.779 . . . . 65.239999999999995 106.198 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -116.31 117.49 38.62 Favored Pre-proline 0 N--CA 1.445 -0.698 0 CA-C-O 118.525 -0.75 . . . . 70.519999999999996 111.213 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.61 148.03 65.13 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.26 1.973 . . . . 62.409999999999997 109.804 158.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -81.28 167.84 19.1 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.754 0.788 . . . . 63.509999999999998 109.112 164.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.57 -34.24 75.25 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.56 -1.337 . . . . 54.210000000000001 111.382 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -62.14 -26.49 68.35 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 123.887 0.875 . . . . 74.340000000000003 113.129 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -45.65 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 126.65 1.98 . . . . 55.009999999999998 111.588 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.418 ' HA ' HD13 ' A' ' 90' ' ' LEU . . . -63.25 -47.32 82.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.49 -1.381 . . . . 63.109999999999999 114.078 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.1 -28.47 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 120.655 -1.278 . . . . 71.340000000000003 108.343 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.0 96.42 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 119.413 -0.659 . . . . 75.230000000000004 113.257 -176.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.412 ' CD ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -68.23 -35.19 77.56 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.161 1.481 . . . . 75.299999999999997 113.039 177.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 119' ' ' PHE . 46.6 mt -61.76 -55.97 24.48 Favored 'General case' 0 CA--C 1.478 -1.806 0 O-C-N 121.462 -0.774 . . . . 74.5 112.686 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 56' ' ' ALA . 76.2 mt -66.98 -37.13 83.69 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.578 -0.737 . . . . 72.540000000000006 112.737 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.04 94.81 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.848 -1.158 . . . . 64.340000000000003 114.012 173.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -69.63 -37.17 76.7 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 121.422 -0.799 . . . . 72.219999999999999 111.294 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--O 1.259 1.597 0 N-CA-C 115.467 1.655 . . . . 74.049999999999997 115.467 -176.853 . . . . . . . . 0 0 . 1 stop_ save_