data_2lta_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lta _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.0 ttpt . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 107.523 -1.288 . . . . 73.42 107.523 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 29' ' ' GLU . 31.0 pt -130.43 148.26 33.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 108.698 -0.853 . . . . 73.31 108.698 169.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.44 HG23 HD13 ' A' ' 93' ' ' ILE . 40.4 mm -112.19 141.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.373 -1.343 . . . . 72.31 107.373 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.513 HG13 HD11 ' A' ' 69' ' ' ILE . 93.8 t -115.5 114.18 45.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.468 -1.308 . . . . 74.33 107.468 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.491 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 46.2 mt -109.07 126.22 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 N-CA-C 108.458 -0.942 . . . . 70.21 108.458 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -100.8 103.31 14.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.889 -1.523 . . . . 73.35 106.889 -173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -72.95 131.06 41.71 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.726 -0.842 . . . . 64.23 108.726 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -138.37 79.69 1.75 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.673 -0.862 . . . . 74.45 108.673 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 76.3 -62.39 0.42 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.045 1.738 . . . . 71.55 112.274 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.62 159.45 24.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.631 0.772 . . . . 71.52 111.36 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -100.27 -11.93 19.94 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.825 0.85 . . . . 74.12 113.177 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -58.56 -27.57 64.71 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.961 0.726 . . . . 72.02 112.961 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.9 -46.94 73.33 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.35 0.66 . . . . 74.35 110.226 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' HD23 ' A' ' 49' ' ' LEU . 3.3 pm0 -86.16 -20.7 28.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.965 0.906 . . . . 74.45 112.863 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 11.6 pt-20 -73.86 -35.6 64.76 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.73 0.696 . . . . 75.32 109.342 172.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 94' ' ' LEU . 63.7 mt -63.46 -33.99 76.78 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.525 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -53.06 -32.67 48.25 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.03 0.932 . . . . 74.22 112.739 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -39.69 92.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.524 0.73 . . . . 75.54 110.853 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.8 -35.99 72.79 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.758 0.823 . . . . 73.52 110.485 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.523 HG12 HD13 ' A' ' 93' ' ' ILE . 1.8 mp -63.2 -55.15 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.574 0.75 . . . . 73.22 111.203 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HB3' HG22 ' A' ' 30' ' ' VAL . 14.6 ptpt -66.87 -23.56 66.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 111.93 0.345 . . . . 74.52 111.93 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.24 -27.52 68.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.907 0.883 . . . . 61.54 111.104 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.19 -5.53 36.35 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.566 0.747 . . . . 74.53 112.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 27.1 6.92 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.969 0.348 . . . . 71.22 113.969 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -128.71 176.29 7.92 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.938 0.895 . . . . 73.5 109.948 172.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB3' HG23 ' A' ' 5' ' ' ILE . 9.2 tp10 -99.07 157.89 16.03 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.771 0.428 . . . . 74.43 111.537 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG22 ' HB3' ' A' ' 24' ' ' LYS . 42.5 t -123.43 151.62 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.401 1.08 . . . . 71.42 109.718 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 95.0 m-85 -129.84 132.82 46.6 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.015 -1.476 . . . . 70.45 107.015 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.573 ' HB ' HG22 ' A' ' 56' ' ' VAL . 20.5 mm -104.86 128.84 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.878 -0.786 . . . . 75.2 108.878 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD12 HG22 ' A' ' 65' ' ' ILE . 59.0 mt -103.88 108.44 19.76 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.387 -0.968 . . . . 72.35 108.387 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.547 HD13 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.09 130.02 34.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 109.32 -0.622 . . . . 72.41 109.32 -174.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -131.29 123.88 29.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.871 0.868 . . . . 74.33 108.742 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 25.1 t70 -135.64 161.95 34.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.251 1.02 . . . . 75.12 109.501 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.61 -37.28 84.54 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.827 0.851 . . . . 72.02 111.437 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -115.9 114.99 25.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.243 1.017 . . . . 73.12 109.283 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.83 -15.66 55.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.253 1.205 . . . . 75.32 114.253 -174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -45.43 16.16 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.283 -0.636 . . . . 75.4 109.283 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -71.67 -26.55 62.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.044 0.938 . . . . 75.52 110.276 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 60.5 tp -61.56 -50.63 71.88 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.909 1.284 . . . . 63.43 110.681 169.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.71 -39.15 93.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.097 -0.956 . . . . 72.13 112.131 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 12.0 pt-20 -67.3 -39.92 85.99 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.88 -0.415 . . . . 70.54 109.88 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.547 ' HG2' HD13 ' A' ' 34' ' ' LEU . 8.3 tppt? -58.3 -41.66 84.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.184 0.994 . . . . 74.4 111.097 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.556 HG21 ' HB ' ' A' ' 56' ' ' VAL . 92.4 mt -52.34 -50.52 37.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 O-C-N 124.654 1.221 . . . . 72.4 109.527 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -69.22 -31.48 70.09 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.9 0.88 . . . . 75.03 111.83 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.9 mmmt -66.07 -45.17 82.24 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.28 0.562 . . . . 71.02 110.132 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 56' ' ' VAL . 97.1 mt -75.75 -34.74 60.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.959 -1.019 . . . . 75.54 111.055 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.7 mtpt -67.73 -31.59 71.62 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.989 0.359 . . . . 75.14 110.542 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 t -61.01 -43.22 99.21 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.454 0.701 . . . . 72.42 110.588 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.1 -22.29 63.05 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.097 0.559 . . . . 71.43 111.748 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.86 30.21 3.3 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 122.867 0.27 . . . . 74.31 113.313 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -112.94 114.51 27.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.921 . . . . 74.42 108.777 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.49 97.01 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.105 -0.702 . . . . 72.11 109.105 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 32' ' ' ILE . 25.3 t -95.46 135.1 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.046 -0.979 . . . . 74.53 109.802 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.92 145.6 44.55 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 107.372 -1.344 . . . . 71.22 107.372 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -94.01 125.21 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.631 -1.248 . . . . 70.33 107.631 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 33' ' ' LEU . 14.9 m -121.05 177.04 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.785 0.834 . . . . 72.42 109.621 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -83.79 -78.69 0.22 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.181 -0.674 . . . . 65.44 109.181 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.71 -163.5 1.73 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.6 -0.889 . . . . 73.41 108.6 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 36.7 t70 -67.1 -25.84 66.41 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.506 0.722 . . . . 71.41 112.853 -164.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.01 -51.57 67.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.696 0.799 . . . . 74.34 110.642 171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.92 -28.81 55.42 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.03 -0.986 . . . . 64.5 111.161 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 9' ' ' ILE . 95.9 mt -62.15 -46.74 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.866 0.866 . . . . 75.32 110.23 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.4 -42.01 90.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.617 0.767 . . . . 74.31 111.778 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -70.17 -34.52 73.09 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.468 -0.787 . . . . 75.43 110.701 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.493 ' O ' HG12 ' A' ' 72' ' ' ILE . 57.2 t90 -66.02 -43.71 86.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.894 0.878 . . . . 74.51 109.957 -177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.513 HD11 HG13 ' A' ' 7' ' ' VAL . 1.7 mp -66.08 -43.96 92.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.27 0.628 . . . . 75.13 109.877 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.35 -37.21 69.71 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.852 0.861 . . . . 75.33 111.163 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -46.97 79.09 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.879 1.272 . . . . 74.52 111.15 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 68' ' ' TRP . 37.7 mm -65.81 -35.91 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.302 0.641 . . . . 74.41 111.127 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 69' ' ' ILE . 54.4 mtpt -64.0 -35.8 81.91 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.883 0.873 . . . . 74.05 111.039 176.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' HZ2' ' HB2' ' A' ' 74' ' ' LYS . 4.2 ttmp? -77.2 -35.43 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.096 -0.956 . . . . 72.42 110.356 -174.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -72.2 -41.76 66.57 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.614 0.765 . . . . 62.14 110.5 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -124.98 83.8 59.73 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 124.273 1.029 . . . . 73.13 109.148 -170.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -86.93 28.6 0.53 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.201 2.6 . . . . 74.24 112.43 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.1 -15.71 14.8 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 73.13 111.356 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 HD23 HG22 ' A' ' 5' ' ' ILE . 1.4 pp -138.7 155.59 48.12 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.459 0.703 . . . . 75.13 112.321 -163.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 46.3 mt-10 -74.48 137.93 42.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.58 -0.896 . . . . 73.42 108.58 166.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 t -116.46 103.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 106.949 -1.501 . . . . 72.24 106.949 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.8 tpp85 -97.65 137.81 36.0 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.767 0.827 . . . . 73.44 109.646 -169.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -97.97 125.06 42.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.89 0.476 . . . . 74.42 110.435 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.645 HG23 HD12 ' A' ' 93' ' ' ILE . 58.6 t -123.76 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.682 1.193 . . . . 72.11 109.282 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 43.9 p -88.54 -27.33 21.48 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.946 -0.471 . . . . 70.14 111.404 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -113.8 155.0 26.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.852 0.861 . . . . 74.21 110.557 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.01 -34.21 74.47 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.534 1.134 . . . . 73.52 111.486 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.78 -41.42 64.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.971 0.909 . . . . 74.53 111.196 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' HB2' HG13 ' A' ' 84' ' ' VAL . 62.0 mt-30 -74.18 -30.33 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.446 -1.252 . . . . 73.13 110.644 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.621 0.768 . . . . 73.15 111.528 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.33 -22.69 26.57 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.579 0.751 . . . . 73.25 112.421 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.65 -47.41 54.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.043 0.537 . . . . 73.04 109.844 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.645 HD12 HG23 ' A' ' 84' ' ' VAL . 11.8 pt -60.46 -27.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 112.756 0.65 . . . . 70.2 112.756 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.623 HD11 HD23 ' A' ' 19' ' ' LEU . 97.3 mt -52.99 -49.1 66.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.542 0.337 . . . . 74.0 110.421 169.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -74.53 -26.78 60.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.579 0.752 . . . . 74.13 111.931 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.04 -42.43 94.32 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.284 1.034 . . . . 65.02 110.498 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 28' ' ' LEU . 54.3 mt -79.62 -26.89 41.05 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 113.892 -1.504 . . . . 73.13 111.652 -176.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.272 0.558 . . . . 74.42 109.602 174.442 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 6.1 ttpm? . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 110.162 -0.31 . . . . 74.23 110.162 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 79' ' ' LEU . 48.2 pt -122.36 151.36 26.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 108.027 -1.101 . . . . 74.31 108.027 166.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 93' ' ' ILE . 50.2 mm -116.32 123.71 71.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.18 -1.044 . . . . 73.32 108.18 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.523 HG12 HD11 ' A' ' 69' ' ' ILE . 59.9 t -101.09 113.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.118 -1.067 . . . . 74.41 108.118 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 58.5 mt -108.8 123.59 64.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 N-CA-C 108.797 -0.816 . . . . 72.44 108.797 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.535 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.8 mp -98.51 95.21 4.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.982 -1.488 . . . . 71.45 106.982 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.526 ' HB2' HD23 ' A' ' 34' ' ' LEU . 41.2 m -88.19 105.01 17.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.879 -0.6 . . . . 60.33 109.583 -170.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -111.61 99.94 8.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.796 0.838 . . . . 75.41 109.359 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 73.75 -61.07 0.51 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.591 1.556 . . . . 61.32 112.663 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.51 117.35 4.78 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 74.42 111.609 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 t -72.01 -14.28 61.84 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.075 0.95 . . . . 75.23 111.665 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 m -54.26 -37.45 64.7 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.065 0.946 . . . . 74.43 111.886 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.05 -28.53 65.53 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.803 0.441 . . . . 73.14 110.855 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -78.8 -40.43 33.03 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.869 0.868 . . . . 73.33 111.073 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.22 -34.7 55.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.762 0.425 . . . . 73.24 111.237 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 94' ' ' LEU . 52.1 mt -64.09 -39.06 93.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.384 0.673 . . . . 74.22 109.855 174.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' HB2' HG13 ' A' ' 30' ' ' VAL . . . -52.29 -38.01 57.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.479 1.112 . . . . 70.04 113.022 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -61.36 -41.17 96.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.619 0.768 . . . . 75.14 110.682 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -73.83 -30.51 62.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.415 0.686 . . . . 74.24 112.009 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG22 HD21 ' A' ' 97' ' ' LEU . 1.9 mp -63.52 -54.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 123.211 0.319 . . . . 73.13 110.43 171.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.2 ptpt -67.39 -20.33 65.53 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.328 0.492 . . . . 74.52 112.328 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.71 -20.0 65.38 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.424 1.089 . . . . 75.45 111.797 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -75.84 -16.65 60.04 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.11 0.564 . . . . 74.55 112.2 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.55 20.09 2.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 114.623 0.609 . . . . 74.31 114.623 171.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' H ' HD21 ' A' ' 28' ' ' LEU . 1.6 pt? -126.98 173.56 9.55 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.949 0.9 . . . . 74.52 110.044 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -92.61 150.41 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.685 0.394 . . . . 74.44 110.526 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 ' HB3' ' A' ' 24' ' ' LYS . 73.1 t -118.8 130.56 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.917 0.887 . . . . 75.12 109.593 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 7' ' ' VAL . 2.1 m-85 -104.38 144.39 31.71 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.725 -1.583 . . . . 72.23 106.725 171.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.516 ' HB ' HG23 ' A' ' 56' ' ' VAL . 24.5 mm -119.75 136.53 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.445 -0.946 . . . . 74.42 108.445 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' HB2' HG13 ' A' ' 9' ' ' ILE . 53.6 mt -107.71 103.07 12.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.833 -1.173 . . . . 72.25 107.833 165.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -84.69 128.93 34.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 106.906 -1.516 . . . . 73.33 106.906 -175.064 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -125.94 120.07 29.42 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.299 -0.63 . . . . 75.45 109.299 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.556 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 23.7 t70 -135.56 150.08 49.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.64 1.176 . . . . 74.44 108.066 175.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -75.3 -9.41 58.53 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.897 0.479 . . . . 64.32 112.291 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.47 108.94 14.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.821 -1.177 . . . . 63.22 107.821 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.0 pt-20 -62.81 -14.15 41.94 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.111 1.152 . . . . 75.42 114.111 -173.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -84.47 -47.89 10.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.727 0.411 . . . . 74.21 110.273 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.5 -35.91 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.719 0.807 . . . . 73.11 109.809 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 45.3 tp -56.17 -56.42 21.09 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.352 1.461 . . . . 55.21 110.866 170.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HA ' HD11 ' A' ' 46' ' ' ILE . 4.0 tp10 -60.56 -35.38 75.91 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.151 0.907 . . . . 74.25 110.692 -172.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 64.9 mm-40 -68.64 -46.93 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.462 0.705 . . . . 73.02 110.937 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -57.26 -39.95 76.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.193 0.997 . . . . 74.33 110.307 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 43' ' ' GLU . 97.2 mt -56.96 -54.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 113.737 -1.574 . . . . 75.53 110.328 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.3 mm-40 -61.21 -34.11 74.57 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.819 0.699 . . . . 74.22 110.974 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 28.1 mmtp -70.0 -44.84 68.53 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.385 0.428 . . . . 74.44 110.777 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.538 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.8 mt -67.23 -33.25 74.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.524 0.515 . . . . 72.25 111.569 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 38.4 mtpt -70.8 -32.96 70.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.084 0.402 . . . . 75.24 110.773 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.9 t -69.01 -25.43 64.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.566 0.746 . . . . 72.0 110.717 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -81.79 -14.29 56.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.725 0.81 . . . . 75.13 111.329 171.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.07 2.35 33.89 Favored Glycine 0 N--CA 1.475 1.236 0 N-CA-C 114.297 0.479 . . . . 75.11 114.297 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -79.6 133.25 36.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 117.329 0.565 . . . . 71.15 109.706 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -81.94 89.09 6.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.617 0.723 . . . . 74.02 109.236 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -94.52 147.25 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 115.528 -0.76 . . . . 62.33 110.53 -174.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.49 148.79 52.34 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 123.967 0.907 . . . . 74.03 108.646 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -88.24 111.36 21.58 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.439 1.096 . . . . 74.31 108.181 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.53 155.45 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 N-CA-C 108.844 -0.799 . . . . 73.34 108.844 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.48 -46.17 9.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.143 0.577 . . . . 75.34 111.507 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.89 167.31 20.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.781 0.432 . . . . 52.5 110.875 -167.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 7.8 p-10 -69.84 -19.21 63.46 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.767 0.827 . . . . 74.44 112.437 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.61 -47.68 77.7 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.519 -0.549 . . . . 71.42 109.519 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.29 -38.54 91.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.503 0.721 . . . . 74.54 110.141 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 82.7 mt -62.43 -42.97 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.733 1.213 . . . . 54.4 112.09 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.18 -43.93 83.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.804 0.442 . . . . 72.23 110.876 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -29.24 61.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.922 -1.036 . . . . 73.2 110.556 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' HG12 ' A' ' 72' ' ' ILE . 38.1 t90 -67.0 -46.13 75.47 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.052 0.941 . . . . 74.32 109.405 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -74.32 -32.95 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.625 -0.509 . . . . 74.55 109.625 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 36.8 t70 -56.63 -43.43 80.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.675 0.79 . . . . 73.24 110.851 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -76.69 -36.83 57.0 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.652 -0.69 . . . . 75.53 111.082 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -60.11 -38.72 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-N 118.761 0.709 . . . . 73.32 110.99 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 73' ' ' LYS . 10.0 mtmp? -67.22 -34.25 77.08 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.539 0.735 . . . . 64.41 111.065 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -82.1 -36.95 27.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 73.34 110.31 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.57 -36.64 37.89 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.806 1.242 . . . . 71.12 109.831 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -122.35 85.94 47.8 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.338 1.055 . . . . 74.15 109.198 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 -16.6 29.22 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.786 2.324 . . . . 75.23 112.327 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.01 -7.01 59.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.005 0.922 . . . . 74.44 112.987 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG12 ' A' ' 5' ' ' ILE . 1.9 pp -138.31 125.97 22.19 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.849 0.46 . . . . 72.11 111.108 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.97 129.48 40.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.474 0.709 . . . . 74.0 109.13 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 t -112.34 126.92 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.407 0.683 . . . . 73.23 109.251 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -115.62 138.28 51.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.911 0.884 . . . . 74.1 109.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' HG12 ' A' ' 69' ' ' ILE . 30.5 mtmm -96.17 126.09 41.14 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.427 -0.583 . . . . 73.11 109.427 172.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.629 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 71.3 t -117.17 92.13 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.421 1.088 . . . . 75.45 109.534 175.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 p -86.75 -25.05 24.89 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 122.266 -0.271 . . . . 73.42 110.858 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.81 160.08 20.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.888 0.875 . . . . 74.23 111.979 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -66.0 -40.72 91.39 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.594 1.158 . . . . 71.12 111.165 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.36 -28.94 70.04 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.419 0.287 . . . . 71.21 110.949 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.17 -33.16 67.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.282 0.633 . . . . 75.11 110.981 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.33 63.56 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.134 0.574 . . . . 72.01 112.128 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -86.8 -25.97 24.33 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.61 0.596 . . . . 74.13 112.61 167.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -49.43 66.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.829 -0.804 . . . . 75.52 108.829 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.616 HD12 HG21 ' A' ' 84' ' ' VAL . 14.7 pt -54.6 -31.75 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 113.377 0.88 . . . . 70.25 113.377 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 19' ' ' LEU . 85.7 mt -50.64 -50.09 55.32 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.176 0.444 . . . . 72.02 111.186 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 -27.59 33.97 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 110.585 -0.154 . . . . 73.43 110.585 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.606 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 28.4 t70 -70.03 -29.63 66.73 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.408 0.683 . . . . 74.03 111.241 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 23' ' ' ILE . 6.9 mp -66.18 -28.33 68.68 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.712 0.805 . . . . 71.01 110.623 172.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 114.999 -1.0 . . . . 73.32 109.779 -176.843 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 23.3 ttmm . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 108.375 -0.972 . . . . 72.43 108.375 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.8 pt -119.67 142.65 34.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 N-CA-C 108.123 -1.066 . . . . 75.11 108.123 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG13 HG23 ' A' ' 23' ' ' ILE . 45.9 mm -117.68 130.76 72.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.704 -0.85 . . . . 75.11 108.704 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.98 104.54 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.875 -1.157 . . . . 74.21 107.875 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.05 125.74 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.822 0.849 . . . . 73.34 109.355 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.56 98.7 7.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.797 -1.557 . . . . 73.41 106.797 -175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.484 ' HB3' HD23 ' A' ' 34' ' ' LEU . 32.9 t -95.19 105.1 17.01 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 108.913 -0.773 . . . . 75.5 108.913 -177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -91.27 72.73 6.2 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.971 -1.013 . . . . 75.13 109.735 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.56 35.84 22.7 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-N 115.138 -0.937 . . . . 75.2 111.397 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HB3' HD11 ' A' ' 16' ' ' LEU . 12.7 t70 -127.37 144.64 51.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.358 -0.839 . . . . 74.12 111.133 -177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -88.42 -34.48 17.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.099 0.96 . . . . 75.1 112.583 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.436 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m -52.92 -43.59 66.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.404 0.682 . . . . 75.23 112.296 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 13' ' ' ASP . 5.8 mp -64.86 -28.99 69.93 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.176 0.59 . . . . 75.3 111.422 -176.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.1 -39.39 49.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.165 0.986 . . . . 64.3 109.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.62 -46.87 87.95 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 115.0 -1.0 . . . . 74.33 109.816 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 15' ' ' THR . 63.9 mt -64.04 -44.37 92.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.54 1.136 . . . . 74.34 110.646 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.74 55.38 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.528 1.131 . . . . 72.35 112.863 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HD2' ' A' ' 24' ' ' LYS . 10.9 tpt180 -62.53 -31.59 72.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.228 1.011 . . . . 72.32 111.856 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.76 -39.48 57.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.555 0.742 . . . . 74.2 110.412 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.523 HG23 HG13 ' A' ' 6' ' ' ILE . 3.1 mp -68.26 -46.71 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.899 0.48 . . . . 72.22 110.874 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD2' ' HD2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -68.37 -21.87 64.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.302 0.482 . . . . 74.13 112.302 -177.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.04 -13.11 61.94 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.947 0.779 . . . . 45.14 111.772 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.682 ' HG3' HD22 ' A' ' 97' ' ' LEU . 44.3 mm-40 -74.13 -4.04 33.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.631 0.772 . . . . 73.25 111.446 172.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 37.49 14.08 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.592 -1.003 . . . . 71.34 110.592 -170.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.631 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 16.8 mt -107.36 144.38 34.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.424 0.689 . . . . 74.22 109.298 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.68 108.31 17.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.689 0.796 . . . . 74.41 108.891 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.8 t -102.13 131.0 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.472 0.709 . . . . 65.4 109.727 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.39 133.55 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.831 1.253 . . . . 75.33 107.743 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.5 mm -114.49 119.12 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.469 -0.938 . . . . 74.41 108.469 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD13 HG13 ' A' ' 59' ' ' VAL . 24.3 mt -92.84 98.63 11.51 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.024 -1.102 . . . . 74.22 108.024 173.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD23 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -90.05 129.65 36.33 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.717 -1.216 . . . . 73.15 107.717 -174.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -127.48 124.66 38.86 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.824 -0.806 . . . . 74.22 108.824 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 29.9 t70 -133.35 161.75 33.67 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.361 1.064 . . . . 70.0 108.159 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.89 -24.51 63.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.8 0.84 . . . . 74.24 111.226 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -125.69 115.77 20.62 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.097 0.959 . . . . 75.32 109.934 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.75 -22.91 39.0 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.473 1.286 . . . . 75.21 114.473 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 7.5 tmtt? -72.48 -57.74 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.26 -1.015 . . . . 74.52 108.26 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.25 -38.05 82.27 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.507 0.723 . . . . 72.42 110.889 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 31.5 tp -53.9 -48.97 69.6 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.253 1.421 . . . . 74.22 111.527 174.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 46' ' ' ILE . 24.1 tt0 -74.3 -24.89 59.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.762 -0.653 . . . . 74.41 110.93 -174.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 49.2 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.236 -0.653 . . . . 74.32 109.236 173.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 13.3 tptm -60.48 -40.79 92.55 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.784 -1.098 . . . . 64.44 111.039 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.511 HG22 ' HB ' ' A' ' 56' ' ' VAL . 69.4 mt -53.01 -49.74 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.386 1.074 . . . . 75.32 110.239 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.054 0.541 . . . . 73.45 111.964 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.68 -42.11 92.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.699 0.799 . . . . 74.41 111.406 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.568 ' HB2' HG21 ' A' ' 56' ' ' VAL . 72.6 mt -73.59 -35.56 65.44 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.449 -0.796 . . . . 74.32 111.649 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.05 -23.7 65.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.831 0.453 . . . . 74.41 111.935 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -61.86 -29.07 69.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.056 0.543 . . . . 73.32 111.262 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -94.81 18.41 11.81 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.804 0.841 . . . . 73.55 111.158 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.77 73.39 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 119.265 -0.742 . . . . 62.42 114.796 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -67.15 127.92 34.43 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 117.695 0.748 . . . . 73.13 109.696 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.33 91.1 7.25 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.257 -1.016 . . . . 72.52 108.257 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.7 t -93.65 139.41 18.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.12 -0.945 . . . . 74.32 110.193 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.03 146.95 50.17 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.809 0.843 . . . . 74.43 109.249 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HG3' HD22 ' A' ' 42' ' ' LEU . 39.9 ttmt -87.14 120.9 28.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.703 -1.221 . . . . 75.02 107.703 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG13 HD13 ' A' ' 33' ' ' LEU . 10.4 m -119.96 149.54 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.926 0.89 . . . . 74.54 109.625 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.42 -58.75 3.09 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.765 0.666 . . . . 73.43 110.916 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -165.88 -167.36 1.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.556 -0.905 . . . . 65.32 108.556 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.507 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 1.4 m-20 -64.0 -24.9 67.89 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 123.93 0.892 . . . . 70.02 112.053 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.22 -56.71 16.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.301 1.041 . . . . 73.12 109.819 169.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.01 -30.08 64.86 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.678 -1.146 . . . . 74.44 110.799 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.507 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 69.7 mt -68.78 -53.67 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.77 1.228 . . . . 74.3 111.449 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.12 -35.51 73.58 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.994 0.518 . . . . 73.53 110.806 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.2 -24.63 54.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.109 -0.951 . . . . 75.43 110.901 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.539 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 23.6 t90 -72.24 -40.37 67.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.056 0.542 . . . . 75.42 110.274 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 83' ' ' LYS . 2.0 mp -68.99 -36.63 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.927 -0.768 . . . . 73.32 108.927 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.86 -50.14 74.33 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.725 0.81 . . . . 74.43 111.341 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 17.4 ptpt -65.99 -34.02 77.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.237 0.336 . . . . 74.52 110.685 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.6 mm -69.06 -40.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.931 0.892 . . . . 71.25 111.866 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -67.83 -27.08 66.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.979 0.419 . . . . 75.32 110.171 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -82.68 -22.84 34.42 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.163 0.985 . . . . 74.23 110.74 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 20.8 mm-40 -78.28 -49.61 13.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.1 -0.704 . . . . 70.11 109.1 171.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.513 ' HD2' HD22 ' A' ' 79' ' ' LEU . 39.0 mtt180 -134.39 96.58 15.32 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.058 0.943 . . . . 75.42 108.938 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -88.36 12.2 2.88 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.954 2.436 . . . . 73.44 112.235 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -104.47 7.76 35.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.196 0.998 . . . . 75.24 111.576 -172.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.513 HD22 ' HD2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -134.67 163.99 28.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.202 0.601 . . . . 75.51 112.111 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 6.9 mm-40 -72.99 130.4 40.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.76 -1.109 . . . . 74.21 109.096 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -125.57 107.09 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.064 -1.087 . . . . 75.23 108.064 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HG2' HG22 ' A' ' 93' ' ' ILE . 23.1 tpp180 -109.37 105.82 15.35 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.247 -0.649 . . . . 74.53 109.247 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.488 ' HB2' HG12 ' A' ' 69' ' ' ILE . 40.5 ttpt -72.63 120.25 17.98 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.542 -0.91 . . . . 72.02 108.542 169.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' A' ' 90' ' ' ALA . 72.8 t -116.49 92.39 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.509 1.124 . . . . 73.34 108.646 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -70.97 -43.89 67.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.602 0.761 . . . . 74.21 111.406 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.27 152.12 33.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 73.35 110.378 -174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.46 -34.14 68.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.793 1.237 . . . . 73.14 113.084 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.04 -37.16 68.86 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.502 1.121 . . . . 73.23 110.717 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HB2' HG11 ' A' ' 84' ' ' VAL . 16.3 mt-30 -73.92 -33.91 64.16 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.561 -1.2 . . . . 71.31 110.366 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 84' ' ' VAL . . . -70.5 -26.07 63.43 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.149 0.5 . . . . 63.12 111.487 175.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -79.07 -33.13 44.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.768 0.827 . . . . 70.14 111.193 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -78.32 -36.89 45.83 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.251 0.621 . . . . 74.33 110.884 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.53 ' O ' HD13 ' A' ' 97' ' ' LEU . 21.6 pt -65.06 -25.73 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 113.366 0.876 . . . . 71.15 113.366 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.15 -37.5 2.08 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.334 0.588 . . . . 75.44 111.258 168.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.46 -41.08 14.7 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.653 1.181 . . . . 75.41 111.846 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.9 t70 -50.19 -37.85 37.1 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.3 1.04 . . . . 72.51 112.946 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 26' ' ' GLU . 6.1 mp -62.99 -30.28 71.47 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 125.206 1.402 . . . . 75.11 111.024 175.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.591 1.156 . . . . 72.41 112.095 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 80' ' ' GLU . 11.8 tppt? . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 108.705 -0.85 . . . . 72.33 108.705 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.66 145.91 34.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 107.163 -1.421 . . . . 74.1 107.163 159.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.491 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.3 mm -114.42 138.26 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 108.334 -0.987 . . . . 72.53 108.334 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG13 HD12 ' A' ' 69' ' ' ILE . 40.2 t -116.67 111.89 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.275 -1.009 . . . . 74.53 108.275 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt -109.29 126.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 123.174 0.59 . . . . 75.22 109.947 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -94.7 91.91 3.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 N-CA-C 106.359 -1.719 . . . . 74.32 106.359 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -81.06 102.06 9.98 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.914 -1.143 . . . . 62.45 107.914 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -107.61 83.95 1.88 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.239 -0.891 . . . . 74.51 109.936 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 78.69 -53.08 0.47 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.179 1.392 . . . . 74.12 112.149 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.08 149.09 43.42 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 71.12 111.329 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -101.14 -14.45 17.75 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.046 0.758 . . . . 65.33 113.046 -169.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -24.88 67.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.68 0.392 . . . . 70.42 111.603 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.89 -31.72 72.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.99 0.516 . . . . 74.0 110.103 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.98 -32.19 30.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.709 1.203 . . . . 74.11 110.161 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.26 -49.24 72.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.654 1.182 . . . . 75.05 109.851 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.57 -36.39 78.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.999 -1.0 . . . . 72.53 110.535 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -54.37 -36.94 64.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.389 1.076 . . . . 70.23 112.811 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -73.97 -32.48 63.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.384 0.674 . . . . 73.42 110.76 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -73.96 -31.53 63.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.421 0.688 . . . . 55.41 110.816 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 20' ' ' ALA . 93.9 mt -66.24 -60.13 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.815 0.846 . . . . 73.04 110.519 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HB3' HG21 ' A' ' 30' ' ' VAL . 11.0 ptpt -63.41 -17.78 63.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.421 0.897 . . . . 74.13 113.421 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.17 -20.6 42.27 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.178 0.991 . . . . 72.34 112.802 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.97 -2.71 28.39 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.44 0.696 . . . . 63.04 112.082 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.25 35.19 5.09 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 123.023 0.344 . . . . 71.52 112.836 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.45 164.52 20.96 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.58 0.752 . . . . 74.0 109.883 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -90.58 146.4 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.742 0.417 . . . . 72.22 110.524 173.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.491 HG22 ' HB ' ' A' ' 6' ' ' ILE . 74.0 t -122.07 128.1 75.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 123.69 0.796 . . . . 72.4 108.999 170.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.03 113.6 27.25 Favored 'General case' 0 C--N 1.337 0.054 0 N-CA-C 107.623 -1.251 . . . . 71.35 107.623 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' HB ' HG23 ' A' ' 56' ' ' VAL . 29.7 mm -89.33 117.6 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.793 -0.817 . . . . 71.21 108.793 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD11 HG13 ' A' ' 59' ' ' VAL . 25.8 mt -87.83 105.58 17.51 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.221 -1.029 . . . . 73.23 108.221 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 121.11 32.86 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.059 -1.089 . . . . 71.44 108.059 -177.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.4 ptmm? -126.9 118.71 25.1 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.733 -1.21 . . . . 75.35 107.733 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 14.0 t70 -134.23 167.63 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.052 -0.976 . . . . 71.51 108.793 -174.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -70.35 -35.49 73.6 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.865 0.466 . . . . 72.21 110.773 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -117.99 179.2 4.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.466 0.706 . . . . 72.31 112.759 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.56 -58.97 2.04 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.96 0.904 . . . . 73.05 111.344 -174.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 22.7 ttmm -73.5 -30.13 62.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.866 0.467 . . . . 72.52 111.675 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.37 -44.42 87.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.982 -0.747 . . . . 74.41 108.982 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 5.4 tt -61.71 -44.58 96.65 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.495 1.118 . . . . 75.12 112.896 168.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 7.3 tt0 -50.46 -53.06 32.56 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.344 1.458 . . . . 61.11 112.327 -174.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.63 -34.66 67.48 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 115.777 -0.647 . . . . 75.43 110.348 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -46.41 85.2 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.011 0.924 . . . . 74.53 111.328 174.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' A' ' 56' ' ' VAL . 13.8 mt -50.5 -48.81 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.154 0.908 . . . . 73.3 110.203 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -74.57 -31.08 61.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.295 -0.866 . . . . 73.12 112.177 -173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.62 -36.24 82.12 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.174 0.511 . . . . 74.11 110.792 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.609 ' HB2' HG21 ' A' ' 56' ' ' VAL . 95.2 mt -77.42 -43.03 33.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.356 -0.838 . . . . 70.41 111.39 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -66.62 -24.72 66.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 111.77 0.285 . . . . 73.25 111.77 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -59.95 -30.88 69.38 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.756 0.823 . . . . 60.52 111.712 169.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 HE21 ' HA ' ' A' ' 49' ' ' LEU . 43.1 mt-30 -86.08 5.34 34.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.824 0.85 . . . . 72.25 111.275 176.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.13 2.73 56.89 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 119.521 -0.599 . . . . 75.11 114.105 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -77.32 167.02 22.41 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 117.629 0.714 . . . . 74.22 111.825 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -117.44 110.52 18.11 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.776 -1.194 . . . . 73.35 107.776 165.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 49' ' ' LEU . 24.3 t -111.62 127.27 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.351 0.66 . . . . 65.45 109.545 -173.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 25.8 mmm180 -120.22 144.87 47.5 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.003 0.921 . . . . 74.4 109.825 -173.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -83.36 123.12 29.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.379 -0.971 . . . . 75.15 108.379 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG13 HD11 ' A' ' 33' ' ' LEU . 18.7 m -122.54 157.23 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.204 0.602 . . . . 72.35 109.916 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -79.03 -73.51 0.33 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.703 -0.681 . . . . 71.23 109.681 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -154.81 -163.89 1.68 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 108.397 -0.964 . . . . 65.44 108.397 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.892 0.877 . . . . 75.41 112.186 -169.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -55.77 -51.87 65.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.891 0.877 . . . . 74.14 110.627 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.77 -31.1 63.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.96 0.904 . . . . 71.34 110.608 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.55 HD11 ' HD2' ' A' ' 35' ' ' LYS . 85.4 mt -65.0 -55.4 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.223 1.009 . . . . 73.01 111.284 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.91 -35.83 81.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.624 0.37 . . . . 63.21 111.075 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -71.43 -32.58 68.54 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.821 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.412 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.7 t90 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.399 0.679 . . . . 75.32 109.665 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.697 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -75.23 -33.4 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 122.994 0.517 . . . . 73.12 109.936 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 21.3 t70 -62.67 -37.55 86.86 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.211 -0.904 . . . . 73.23 111.354 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.76 -37.69 67.59 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.697 -0.668 . . . . 75.03 111.073 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -63.51 -39.47 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-N 118.411 0.551 . . . . 74.42 111.275 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 53.6 mtmt -62.82 -37.06 85.24 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.77 -0.65 . . . . 74.4 110.676 176.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -76.73 -44.85 31.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 74.13 110.975 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.66 -47.02 79.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.97 0.908 . . . . 72.04 110.137 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -125.03 90.13 51.52 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 114.866 -1.061 . . . . 74.34 110.09 -170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.56 -7.85 17.94 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 74.34 112.978 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -82.11 -8.9 59.67 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.786 0.661 . . . . 74.33 112.786 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.64 160.36 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.063 0.545 . . . . 75.22 111.779 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 60.9 mm-40 -93.18 139.25 30.8 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.096 0.958 . . . . 74.13 108.516 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -120.7 119.34 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.57 -0.53 . . . . 72.43 109.57 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 93' ' ' ILE . 16.9 tpp180 -111.92 133.95 53.79 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.646 0.779 . . . . 73.11 109.904 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.697 ' HG2' HG12 ' A' ' 69' ' ' ILE . 24.0 mtmm -94.0 113.24 25.19 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.717 -0.846 . . . . 73.12 108.717 170.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 HG13 ' HB1' ' A' ' 90' ' ' ALA . 87.8 t -110.7 91.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.984 -0.747 . . . . 63.31 108.984 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.414 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 44.9 p -87.63 -21.85 25.07 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.787 0.327 . . . . 74.12 110.751 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.4 147.87 38.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.842 0.857 . . . . 71.14 110.831 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -51.91 -42.02 62.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.289 1.036 . . . . 73.12 110.818 167.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.38 -40.22 74.25 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.349 1.06 . . . . 62.3 112.081 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.12 -35.25 76.2 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.094 -0.503 . . . . 74.15 111.122 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' HG13 ' A' ' 84' ' ' VAL . . . -67.65 -31.25 71.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.181 0.592 . . . . 73.42 111.497 174.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -74.91 -33.77 62.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.698 0.799 . . . . 74.51 110.743 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -75.06 -41.63 58.59 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.785 -0.643 . . . . 71.52 110.853 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 82' ' ' ARG . 19.9 pt -69.64 -22.54 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.343 0.868 . . . . 55.43 113.343 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -51.96 -27.97 15.05 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.506 0.323 . . . . 71.4 111.016 166.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -84.95 -53.13 5.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.927 0.891 . . . . 72.04 111.065 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.509 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.2 t70 -44.9 -43.98 9.31 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 125.107 1.363 . . . . 70.41 113.9 -175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.13 -39.69 87.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.086 0.954 . . . . 72.1 111.497 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp . . . . . 0 N--CA 1.481 1.113 0 CA-C-N 115.136 -0.938 . . . . 74.34 110.165 -176.253 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' HG3' ' A' ' 80' ' ' GLU . 18.4 ttpt . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 108.555 -0.906 . . . . 65.12 108.555 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 79' ' ' LEU . 24.2 pt -115.39 152.27 17.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.843 0 N-CA-C 108.945 -0.761 . . . . 74.01 108.945 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm -114.05 143.37 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.613 -0.721 . . . . 74.32 109.564 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.639 HG11 HD11 ' A' ' 69' ' ' ILE . 72.8 t -119.21 115.15 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 107.795 -1.187 . . . . 75.02 107.795 171.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.597 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 49.2 mt -105.4 124.16 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.657 -0.498 . . . . 75.31 109.657 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -95.71 98.46 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 105.642 -1.984 . . . . 70.5 105.642 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -114.35 132.28 56.25 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.577 0.704 . . . . 74.42 111.038 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.516 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 79.3 p -132.73 123.7 26.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.208 -1.36 . . . . 71.33 109.801 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.78 -69.79 0.16 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.984 1.313 . . . . 75.53 113.462 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.02 138.66 46.1 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.73 1.212 . . . . 63.32 112.247 -171.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -74.57 -26.81 60.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.1 0.96 . . . . 74.1 113.198 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 m -56.12 -40.36 73.64 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.304 0.502 . . . . 63.21 112.354 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.2 -32.53 66.86 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.266 0.555 . . . . 72.21 110.144 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' HD23 ' A' ' 49' ' ' LEU . 48.1 mt-10 -67.56 -49.43 63.24 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.824 1.25 . . . . 72.43 111.061 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.14 -25.77 52.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.243 0.617 . . . . 74.1 112.206 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.6 -33.45 72.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.924 0.489 . . . . 75.43 110.495 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 8' ' ' ILE . . . -53.57 -32.37 50.57 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.002 0.921 . . . . 74.44 112.299 176.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -69.96 -30.83 68.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.57 0.748 . . . . 72.33 111.224 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -69.97 -45.27 67.72 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 122.953 0.501 . . . . 73.33 110.137 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.59 -52.08 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.251 0.62 . . . . 75.21 111.518 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 14.3 ptmm? -56.83 -21.68 30.83 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.7 0.8 . . . . 73.32 112.607 -172.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.17 -29.7 61.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.567 1.147 . . . . 74.35 111.743 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.84 -18.99 65.0 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.585 0.754 . . . . 75.41 112.101 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.83 41.8 1.78 Allowed Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.618 0.628 . . . . 74.4 112.651 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 5' ' ' ILE . 1.4 pt? -126.87 151.75 47.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.587 0.355 . . . . 70.32 110.933 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.27 122.42 21.95 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 124.255 0.972 . . . . 71.33 108.546 167.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' A' ' 20' ' ' ALA . 59.3 t -102.06 129.1 53.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.391 -0.966 . . . . 73.4 108.391 176.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 57.8 m-85 -104.2 132.9 49.97 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.383 -1.34 . . . . 73.42 107.383 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' HB ' HG12 ' A' ' 56' ' ' VAL . 28.3 mm -114.69 120.47 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.421 -0.955 . . . . 72.41 108.421 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 59' ' ' VAL . 34.3 mt -95.71 101.98 13.73 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.013 -1.106 . . . . 74.32 108.013 170.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.88 140.97 28.96 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 107.897 -1.149 . . . . 72.01 107.897 -175.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 11' ' ' SER . 17.4 ptpt -141.09 120.98 13.55 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.77 -0.826 . . . . 75.5 108.77 173.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -129.4 155.39 45.76 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.656 -0.868 . . . . 74.42 108.656 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -54.27 -37.19 64.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 73.41 110.685 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.73 130.61 56.43 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 108.759 -0.83 . . . . 71.12 108.759 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.504 ' HG3' HD22 ' A' ' 42' ' ' LEU . 21.4 tt0 -61.7 -13.71 25.3 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.126 1.158 . . . . 73.34 114.126 -177.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.04 -59.87 2.52 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.993 0.36 . . . . 75.25 111.193 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -68.75 -24.74 64.49 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.276 0.63 . . . . 73.0 110.535 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 39' ' ' GLU . 30.5 tp -54.79 -58.34 7.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.665 -1.152 . . . . 73.0 110.782 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 37.5 tt0 -69.9 -28.26 65.47 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.466 0.479 . . . . 75.4 111.279 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -60.83 -49.76 76.17 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.393 0.615 . . . . 70.04 109.512 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -59.43 -42.89 92.9 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.088 -1.415 . . . . 75.0 110.45 -178.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HA ' HG11 ' A' ' 56' ' ' VAL . 84.0 mt -57.83 -50.76 76.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.661 -1.154 . . . . 74.22 110.925 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.4 mm-40 -66.89 -37.53 84.56 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.13 0.269 . . . . 74.13 111.307 -176.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -65.24 -34.61 78.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.346 0.658 . . . . 74.31 112.183 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HB2' HG22 ' A' ' 56' ' ' VAL . 96.1 mt -81.16 -32.86 33.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.822 0.449 . . . . 74.53 111.137 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -69.44 -28.08 65.81 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 122.159 -0.338 . . . . 74.31 110.411 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.4 t -63.62 -31.22 72.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.865 0.866 . . . . 74.34 111.035 170.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' NE2' HD21 ' A' ' 49' ' ' LEU . 47.6 mt-30 -88.9 14.44 10.41 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.64 0.776 . . . . 75.53 111.488 175.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.55 51.0 13.12 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 123.404 0.44 . . . . 50.31 113.26 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 51.1 m-85 -127.35 142.34 51.47 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.818 0.847 . . . . 74.31 109.109 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.59 83.17 8.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.993 -0.743 . . . . 65.42 108.993 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 49' ' ' LEU . 14.0 t -92.49 136.77 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 114.818 -1.083 . . . . 75.44 110.039 -174.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 19.1 mmt180 -138.57 152.34 48.1 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.371 1.068 . . . . 75.23 110.804 -172.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HG3' HD21 ' A' ' 42' ' ' LEU . 40.1 ttmt -94.83 128.19 41.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.14 -1.391 . . . . 72.34 109.122 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 33' ' ' LEU . 6.9 m -116.79 150.99 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 121.447 0.642 . . . . 75.14 110.795 178.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -77.27 -46.74 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.667 -1.151 . . . . 74.44 110.648 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -172.02 -174.96 1.38 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.748 0.819 . . . . 73.2 109.519 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.51 -35.58 80.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.025 0.75 . . . . 60.11 113.025 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -58.82 -44.31 90.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.698 0.624 . . . . 74.13 109.405 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.06 -33.58 75.83 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.207 -0.906 . . . . 73.34 111.292 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.5 -50.55 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.888 0.875 . . . . 73.23 111.324 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.13 -37.42 80.02 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.818 0.281 . . . . 75.51 111.607 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.25 -31.19 68.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.477 0.711 . . . . 75.1 111.008 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.477 ' O ' HG12 ' A' ' 72' ' ' ILE . 25.9 t90 -68.77 -49.22 60.46 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 75.42 110.274 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.639 HD11 HG11 ' A' ' 7' ' ' VAL . 2.1 mp -72.63 -31.4 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.912 0.485 . . . . 74.32 110.477 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.94 -47.12 52.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.485 1.114 . . . . 71.34 111.59 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -78.18 -30.79 49.24 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.415 -0.811 . . . . 72.34 111.728 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.9 mm -62.18 -42.52 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.177 0.591 . . . . 74.51 110.728 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -67.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.131 -0.941 . . . . 72.42 111.104 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -78.19 -43.22 29.17 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.77 0.828 . . . . 72.34 110.577 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.27 -40.85 94.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.105 0.962 . . . . 62.14 110.434 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HD3' HD21 ' A' ' 79' ' ' LEU . 52.1 mtt180 -123.97 82.78 55.68 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.87 0.868 . . . . 72.23 109.634 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.57 -14.71 11.4 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.936 2.424 . . . . 74.53 113.714 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.86 -5.6 56.68 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.684 0.394 . . . . 75.44 111.934 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG12 ' A' ' 5' ' ' ILE . 3.5 pp -123.53 150.81 43.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.808 -0.812 . . . . 71.42 108.808 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.485 ' HG3' ' HD3' ' A' ' 4' ' ' LYS . 9.4 pt-20 -99.25 155.88 17.27 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.986 0.515 . . . . 75.14 111.363 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.99 136.82 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 71.44 109.779 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -127.43 119.14 25.47 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.328 0.651 . . . . 71.23 109.945 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.5 mtmt -75.37 135.98 40.81 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.127 0.571 . . . . 74.13 110.625 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.597 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 57.1 t -120.92 95.98 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 124.165 0.986 . . . . 71.33 110.989 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.5 p -81.47 -30.95 33.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.136 0.574 . . . . 75.13 111.425 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 18.6 m-20 -116.15 157.41 24.84 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.382 0.673 . . . . 65.23 111.703 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.56 -45.75 57.26 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.289 1.036 . . . . 71.21 111.088 167.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.52 -20.83 61.99 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.512 -0.767 . . . . 74.41 112.129 -176.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.9 mm100 -70.72 -40.92 72.5 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.315 -0.624 . . . . 75.31 109.315 169.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 84' ' ' VAL . . . -68.84 -27.11 65.54 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.413 0.685 . . . . 72.32 112.14 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -78.47 -33.79 48.08 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.618 0.767 . . . . 73.42 110.303 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.29 -47.39 57.13 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.467 0.307 . . . . 74.3 110.243 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 27.4 pt -59.72 -31.85 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.025 0.75 . . . . 74.5 113.025 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.89 -43.32 49.34 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.016 0.526 . . . . 74.14 110.632 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.18 -32.41 26.61 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.96 1.304 . . . . 60.3 110.49 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.611 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 38.8 t70 -73.56 -27.88 61.56 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.654 0.782 . . . . 74.43 111.596 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.75 -18.02 61.54 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 120.914 0.388 . . . . 75.34 110.372 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 123.733 0.813 . . . . 75.01 110.388 178.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? . . . . . 0 C--O 1.236 0.385 0 N-CA-C 108.761 -0.829 . . . . 73.31 108.761 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.448 HD11 HG23 ' A' ' 81' ' ' VAL . 43.7 pt -128.2 157.45 40.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 N-CA-C 108.377 -0.972 . . . . 74.33 108.377 166.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -123.59 138.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.967 -0.753 . . . . 73.23 108.967 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.649 HG23 ' HB2' ' A' ' 31' ' ' TYR . 72.6 t -117.27 113.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 107.186 -1.413 . . . . 70.01 107.186 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 84' ' ' VAL . 35.3 mt -106.79 130.43 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 109.189 -0.671 . . . . 75.4 109.189 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -93.29 86.36 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 107.051 -1.463 . . . . 75.32 107.051 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -88.35 105.88 17.87 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.788 -0.642 . . . . 75.23 109.448 -173.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -133.42 121.38 22.18 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.325 -0.852 . . . . 74.13 109.224 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.98 -68.2 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.78 1.232 . . . . 74.14 112.394 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.73 154.54 38.35 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.312 1.045 . . . . 54.31 111.946 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -106.0 -16.63 14.57 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.262 1.025 . . . . 74.22 112.708 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -54.07 -35.76 62.41 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.25 0.477 . . . . 73.44 111.704 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.19 -39.92 96.02 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.7 0.8 . . . . 75.24 111.171 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.42 -43.54 85.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.033 1.333 . . . . 75.33 111.178 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.41 -42.46 78.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.05 -0.977 . . . . 63.13 111.528 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.91 -40.27 94.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.353 0.661 . . . . 74.0 110.403 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' A' ' 8' ' ' ILE . . . -53.03 -32.41 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.322 1.049 . . . . 64.42 112.619 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 tpt85 -64.79 -28.53 69.63 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 115.155 -0.929 . . . . 75.4 111.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 9.9 mptt -84.65 -32.8 23.45 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.635 0.774 . . . . 72.24 110.158 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.78 -42.83 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.008 0.523 . . . . 75.32 110.432 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -68.04 -25.46 65.38 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.891 0.377 . . . . 74.21 110.763 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.78 -9.99 59.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.947 . . . . 75.23 111.333 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 52.8 mm-40 -74.45 -15.32 60.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.0 0.52 . . . . 75.45 111.302 172.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.38 37.79 4.45 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.075 -0.81 . . . . 72.14 111.075 -173.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 97' ' ' LEU . 10.4 mt -114.58 147.3 39.69 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.375 -0.602 . . . . 75.14 109.375 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -87.86 111.94 21.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.129 -1.063 . . . . 75.35 108.129 168.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.09 131.66 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.818 -0.438 . . . . 74.15 109.818 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' HB2' HG23 ' A' ' 7' ' ' VAL . 40.6 m-85 -108.41 144.1 36.44 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 106.972 -1.492 . . . . 74.41 106.972 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' HG23 ' A' ' 56' ' ' VAL . 25.9 mm -123.93 125.46 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.448 -0.945 . . . . 72.22 108.448 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD13 HG23 ' A' ' 65' ' ' ILE . 38.9 mt -101.89 120.05 39.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.582 0.706 . . . . 72.15 111.106 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 45' ' ' LYS . 1.4 mm? -105.15 122.94 46.95 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.484 -1.234 . . . . 63.14 111.163 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.58 120.26 8.6 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.987 -1.116 . . . . 74.13 107.987 157.427 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -132.61 171.79 13.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.88 1.272 . . . . 75.44 109.558 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -46.18 -47.89 17.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.429 1.491 . . . . 75.03 112.224 175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.21 119.3 28.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.381 -0.827 . . . . 72.11 110.104 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.7 -15.03 62.2 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.525 0.935 . . . . 75.21 113.525 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.58 -49.63 15.87 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.98 0.419 . . . . 74.01 110.083 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -63.52 -29.92 71.12 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.537 -0.756 . . . . 64.51 110.265 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' HG ' HD12 ' A' ' 34' ' ' LEU . 5.4 tt -61.39 -44.85 96.43 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.221 -1.354 . . . . 75.41 110.707 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.2 -35.8 81.52 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.418 0.449 . . . . 74.13 110.603 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.66 -41.67 78.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.77 -0.65 . . . . 75.24 109.964 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -59.76 -38.81 82.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.086 0.954 . . . . 74.14 110.97 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' HB ' ' A' ' 56' ' ' VAL . 54.1 mt -55.12 -51.26 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 124.089 0.868 . . . . 75.32 109.101 173.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -64.17 -36.43 84.03 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.944 0.498 . . . . 71.42 111.856 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.2 0.6 . . . . 73.13 110.907 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' HG21 ' A' ' 56' ' ' VAL . 90.0 mt -73.41 -36.48 66.01 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.206 -0.906 . . . . 73.41 111.428 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 37.1 mtpt -70.47 -28.26 64.86 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.208 -0.307 . . . . 71.3 110.798 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 t -65.03 -32.5 74.26 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.63 -0.713 . . . . 74.51 111.583 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -77.6 -20.56 53.77 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.913 0.485 . . . . 72.31 111.14 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.93 37.03 1.59 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 123.418 0.449 . . . . 72.23 113.272 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.09 149.46 32.09 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.07 0.548 . . . . 73.42 110.402 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.58 87.45 5.94 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.48 -0.933 . . . . 72.41 108.48 173.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' A' ' 49' ' ' LEU . 20.2 t -93.89 133.05 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 114.94 -1.027 . . . . 71.01 110.071 -172.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -134.58 147.08 50.17 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.963 0.905 . . . . 73.35 110.21 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -88.99 130.39 35.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.299 1.039 . . . . 75.23 109.746 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.43 169.12 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 124.538 1.135 . . . . 73.45 109.585 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -94.23 -61.71 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.514 0.326 . . . . 75.24 111.623 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -137.28 -175.34 4.02 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.521 0.729 . . . . 65.05 110.494 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.425 ' HA ' HD11 ' A' ' 65' ' ' ILE . 6.5 p-10 -66.44 -37.53 85.38 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.89 0.876 . . . . 72.02 111.817 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.27 -36.78 76.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.974 0.416 . . . . 75.31 111.455 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.08 -38.98 79.32 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.27 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.547 HG23 HD13 ' A' ' 33' ' ' LEU . 96.2 mt -60.57 -49.91 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 72.35 110.568 174.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.94 -50.11 71.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.443 1.097 . . . . 72.14 111.485 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.86 -21.32 60.14 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.221 -0.9 . . . . 75.3 111.803 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -68.76 -36.45 78.36 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.734 0.413 . . . . 71.14 110.333 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.65 -36.6 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 122.987 0.515 . . . . 72.32 109.756 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.63 -44.68 93.19 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.419 -0.809 . . . . 72.23 111.562 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 20.8 ptmt -71.11 -25.54 62.64 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.586 -0.245 . . . . 73.13 110.984 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.49 -35.61 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.002 0.521 . . . . 73.55 110.279 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -65.48 -24.19 67.09 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.859 0.464 . . . . 74.12 111.205 174.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -82.87 -41.38 19.05 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.843 0.457 . . . . 74.12 110.687 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.2 mm-40 -66.05 -50.03 65.61 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.308 0.575 . . . . 74.01 111.164 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 87.86 36.28 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 114.858 -1.065 . . . . 73.35 108.439 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.25 -37.02 33.36 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.436 . . . . 74.34 113.696 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.53 -9.85 57.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.708 1.003 . . . . 75.12 113.708 -168.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.59 149.17 30.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.507 0.323 . . . . 71.43 110.289 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -102.06 137.76 39.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.699 0.4 . . . . 64.51 110.834 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 HD11 ' A' ' 5' ' ' ILE . 2.8 t -113.06 126.31 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.436 0.694 . . . . 74.23 109.669 -169.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -110.04 141.45 42.85 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.507 0.723 . . . . 74.21 110.497 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -98.68 114.72 27.34 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.209 -1.034 . . . . 74.45 108.209 169.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 89' ' ' GLN . 78.7 t -115.35 90.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.465 -0.939 . . . . 63.54 108.465 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.689 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 81.4 p -82.24 -21.49 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.558 -0.746 . . . . 75.12 111.943 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.06 160.23 39.56 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.579 0.752 . . . . 64.25 111.133 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -35.02 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 113.868 -1.515 . . . . 74.22 113.12 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.17 -34.81 79.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.41 0.684 . . . . 71.05 111.485 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' HB2' HG13 ' A' ' 84' ' ' VAL . 48.7 mt-30 -69.1 -36.75 77.89 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.431 0.457 . . . . 73.33 110.598 173.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.77 72.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.085 0.554 . . . . 61.11 111.665 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.96 -39.97 65.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.263 0.625 . . . . 75.32 110.09 175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -64.11 -47.32 80.47 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.588 -0.733 . . . . 73.13 110.913 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 pt -64.24 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.597 0.591 . . . . 75.23 112.597 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.47 -37.0 62.25 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.714 0.406 . . . . 74.31 111.353 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -84.89 -50.72 7.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.328 0.651 . . . . 72.41 110.978 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t70 -42.03 -44.67 3.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.674 1.59 . . . . 73.42 113.78 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 28' ' ' LEU . 11.1 mp -68.91 -23.61 64.2 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.62 0.768 . . . . 71.02 111.927 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 123.635 0.774 . . . . 74.53 109.594 177.768 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HE3' HD13 ' A' ' 28' ' ' LEU . 38.4 ttpt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 108.917 -0.771 . . . . 64.32 108.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 29' ' ' GLU . 30.5 pt -125.87 147.86 30.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.371 0.605 . . . . 72.14 109.91 174.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.577 ' HB ' HG23 ' A' ' 30' ' ' VAL . 47.5 mm -117.72 120.42 64.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.633 -0.877 . . . . 74.13 108.633 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 31' ' ' TYR . 40.2 t -105.16 114.93 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.454 -0.943 . . . . 75.53 108.454 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -104.24 130.83 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.485 -0.561 . . . . 72.21 109.485 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.66 86.05 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 105.553 -2.017 . . . . 74.34 105.553 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.509 ' HB3' HD23 ' A' ' 34' ' ' LEU . 33.1 t -77.68 104.73 8.39 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.452 -0.573 . . . . 75.43 109.452 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 p -80.86 -153.9 0.1 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.485 1.114 . . . . 72.13 111.266 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.79 -29.65 68.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.43 1.092 . . . . 75.13 112.671 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.98 150.41 25.66 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.373 0.606 . . . . 64.44 112.059 -171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -90.21 -14.18 33.99 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.439 -1.255 . . . . 75.14 111.234 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.3 m -53.81 -35.41 61.38 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 123.378 0.671 . . . . 73.13 111.732 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.6 -30.21 64.17 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.379 0.272 . . . . 65.33 110.366 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.55 -46.61 58.99 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.303 1.041 . . . . 75.53 111.016 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.96 -39.92 79.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.617 0.367 . . . . 72.42 111.169 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' ILE . 79.1 mt -68.02 -36.02 79.27 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.418 -0.355 . . . . 75.44 110.492 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.44 64.54 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 74.24 112.914 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -69.57 -33.58 72.93 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.156 -0.929 . . . . 72.45 110.984 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -80.71 -23.28 39.63 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.609 -0.723 . . . . 73.54 110.959 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.512 HD12 HD11 ' A' ' 93' ' ' ILE . 75.4 mt -65.98 -56.68 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 122.848 0.459 . . . . 63.34 110.245 172.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 30' ' ' VAL . 12.9 ptpt -63.19 -20.32 65.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.717 0.636 . . . . 64.43 112.717 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.37 -25.79 60.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.435 1.094 . . . . 75.45 112.059 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.43 -6.76 42.75 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.938 0.895 . . . . 74.3 112.725 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.34 33.59 4.49 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 123.084 0.373 . . . . 64.45 113.271 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD13 ' HE3' ' A' ' 4' ' ' LYS . 1.6 pt? -128.91 176.52 7.8 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.123 0.969 . . . . 74.44 109.154 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' ILE . 16.9 tp10 -98.33 150.8 21.19 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.678 0.391 . . . . 75.05 110.487 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' HB ' ' A' ' 6' ' ' ILE . 54.5 t -126.24 127.14 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.849 0.86 . . . . 74.34 109.672 174.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.527 ' HB2' HG21 ' A' ' 7' ' ' VAL . 1.4 m-85 -102.28 151.88 21.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.052 -1.462 . . . . 75.43 107.052 172.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' HB ' HG23 ' A' ' 56' ' ' VAL . 26.8 mm -125.81 127.73 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.929 -0.767 . . . . 74.13 108.929 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 65' ' ' ILE . 36.8 mt -98.76 108.16 20.78 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.147 -0.686 . . . . 75.44 109.147 166.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -88.14 127.79 35.43 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.446 -1.252 . . . . 73.31 109.485 -175.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -126.16 120.33 29.82 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.793 -0.818 . . . . 70.23 108.793 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 12.4 t70 -133.14 147.52 52.09 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.658 -1.608 . . . . 74.02 106.658 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.22 -16.0 63.8 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.666 0.604 . . . . 74.35 111.752 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -119.58 108.8 14.93 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 107.41 -1.33 . . . . 65.1 107.41 171.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -12.83 19.56 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.814 1.042 . . . . 74.43 113.814 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -78.94 -49.42 12.82 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.361 -0.607 . . . . 74.3 109.361 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.95 -32.27 73.67 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.273 -0.876 . . . . 74.11 109.797 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 6.6 tt -54.71 -52.45 62.42 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.98 1.312 . . . . 74.12 109.44 170.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.37 -25.68 63.37 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.242 -0.89 . . . . 73.34 112.279 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.3 mt-10 -66.2 -48.88 69.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.482 -0.562 . . . . 75.11 109.482 170.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.98 -32.5 72.96 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.295 0.997 . . . . 74.31 111.384 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' A' ' 56' ' ' VAL . 56.2 mt -55.92 -53.71 35.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 123.461 0.704 . . . . 74.4 109.605 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.27 -34.57 78.43 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.645 -0.707 . . . . 75.44 111.98 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 11.4 mmpt? -64.67 -46.0 84.31 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.389 0.614 . . . . 74.3 110.635 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 56' ' ' VAL . 98.9 mt -72.59 -38.63 67.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.896 -1.047 . . . . 71.1 111.249 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.0 mtpt -66.81 -27.55 67.66 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.003 -0.435 . . . . 75.31 111.768 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 m -58.62 -34.76 71.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.838 0.455 . . . . 75.01 111.974 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.07 -12.69 60.01 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.277 0.631 . . . . 73.42 111.381 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.79 55.7 1.06 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 112.081 -0.408 . . . . 74.21 112.081 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.04 161.42 24.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.777 0.831 . . . . 74.22 109.479 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -102.31 96.12 6.74 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.37 -0.974 . . . . 75.33 108.37 167.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 49' ' ' LEU . 15.3 t -102.91 139.48 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.532 0.733 . . . . 73.13 109.441 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -135.36 146.5 48.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.778 0.831 . . . . 71.5 110.046 -173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -91.58 131.53 36.93 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.013 0.925 . . . . 74.42 109.427 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.68 152.31 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.151 0.981 . . . . 75.35 109.034 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -24.69 38.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.574 0.35 . . . . 73.35 111.481 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -167.49 165.8 14.56 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.022 0.529 . . . . 75.34 111.321 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 24.4 t70 -66.44 -35.45 80.33 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.53 1.132 . . . . 74.2 111.91 177.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.69 -39.15 73.31 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.861 -0.609 . . . . 64.23 110.903 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.47 -35.65 75.81 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.342 -0.845 . . . . 75.3 110.403 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 33' ' ' LEU . 32.7 mt -54.13 -50.14 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 124.266 0.979 . . . . 72.55 111.733 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.19 -39.34 92.39 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.246 0.218 . . . . 74.02 111.277 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -33.67 74.29 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 123.561 0.538 . . . . 75.4 110.605 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -64.44 -40.17 95.24 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.79 1.236 . . . . 72.11 109.882 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.594 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -40.13 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.516 0.727 . . . . 74.13 110.072 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 18.3 t70 -57.62 -43.87 85.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.107 0.963 . . . . 75.23 111.223 -173.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 8.2 ptpp? -68.56 -42.38 78.43 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.233 -0.894 . . . . 64.14 111.459 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.67 -33.81 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 123.122 0.569 . . . . 72.25 111.359 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 58.5 mtmt -60.52 -33.54 72.79 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.536 0.334 . . . . 71.33 110.881 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.85 -45.92 16.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.112 0.965 . . . . 73.1 110.364 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 37.3 mm-40 -56.71 -55.37 35.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.248 1.019 . . . . 63.45 110.062 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -121.53 81.18 39.31 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 114.588 -1.187 . . . . 71.43 107.895 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.53 -5.85 17.47 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.682 2.255 . . . . 74.11 112.194 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.81 -20.42 63.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.235 1.014 . . . . 71.55 111.936 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -126.3 150.71 48.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.622 0.769 . . . . 62.3 111.364 -174.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 25.5 mm-40 -84.55 149.78 25.67 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.822 -0.807 . . . . 72.11 108.822 172.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.26 106.32 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 108.046 -1.094 . . . . 73.02 108.046 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -103.8 134.56 46.89 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.364 0.666 . . . . 75.23 109.573 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HG2' HG12 ' A' ' 69' ' ' ILE . 27.2 mtmm -94.09 111.09 22.77 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.41 -0.589 . . . . 75.11 109.41 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 90' ' ' ALA . 59.0 t -98.29 91.21 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.326 -0.99 . . . . 73.52 108.326 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.6 p -84.68 -16.95 40.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.842 -1.072 . . . . 73.12 111.42 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.45 152.22 51.66 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.108 0.963 . . . . 74.24 109.351 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -30.16 59.99 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.174 0.59 . . . . 73.41 110.959 169.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.92 -42.42 93.91 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.163 1.385 . . . . 73.23 111.424 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HB2' HG12 ' A' ' 84' ' ' VAL . 20.5 mm-40 -60.91 -40.94 95.03 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.972 0.795 . . . . 74.43 110.711 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.27 -39.21 89.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.456 0.702 . . . . 72.31 111.956 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -70.1 -34.26 72.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.631 0.772 . . . . 74.23 110.595 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.78 -50.99 37.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.576 -0.738 . . . . 73.13 110.076 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.512 HD11 HD12 ' A' ' 23' ' ' ILE . 24.6 pt -64.45 -28.65 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.017 0.376 . . . . 74.33 112.017 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 33.3 mt -54.62 -54.55 40.06 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.927 0.331 . . . . 74.33 111.202 171.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.37 -27.26 60.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.282 0.364 . . . . 73.33 110.991 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 19.4 t70 -64.76 -45.23 87.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.956 0.902 . . . . 74.25 110.757 -176.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 93' ' ' ILE . 11.1 mp -67.18 -21.78 65.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.944 -0.571 . . . . 71.13 110.944 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.3 mmmt . . . . . 0 N--CA 1.483 1.217 0 C-N-CA 122.828 0.451 . . . . 64.14 110.415 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.2 ttpp . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 108.201 -1.037 . . . . 74.32 108.201 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 81' ' ' VAL . 40.6 pt -119.27 149.3 21.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-O 121.636 0.732 . . . . 75.42 110.385 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -119.92 111.61 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 108.246 -1.02 . . . . 72.54 108.246 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.754 HG11 HD12 ' A' ' 69' ' ' ILE . 71.2 t -87.64 118.53 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.832 0.853 . . . . 73.03 109.407 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 56.1 mt -111.72 126.86 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.261 0.624 . . . . 73.23 109.393 -177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.623 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -96.95 93.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 105.823 -1.917 . . . . 71.44 105.823 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.504 ' HB2' HD21 ' A' ' 34' ' ' LEU . 42.5 m -101.43 121.97 42.9 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.568 -0.901 . . . . 71.12 108.568 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 p -138.69 113.53 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.904 -1.044 . . . . 74.15 109.326 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 75.49 -61.22 0.48 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.633 1.573 . . . . 74.15 112.508 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.26 136.98 52.69 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.98 0.912 . . . . 75.12 111.355 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -90.49 -21.34 21.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.539 0.736 . . . . 73.4 112.4 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.457 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.5 m -56.94 -36.1 69.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.743 0.417 . . . . 75.54 111.728 -175.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.76 -30.81 71.12 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.011 0.524 . . . . 71.41 110.902 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.27 -36.34 66.33 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.581 1.152 . . . . 70.01 110.329 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.17 -36.47 64.07 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.617 -0.72 . . . . 65.1 110.652 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 94' ' ' LEU . 93.9 mt -74.11 -27.31 60.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.577 0.751 . . . . 71.14 110.062 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.82 76.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.116 0.967 . . . . 73.43 111.521 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -62.29 -43.19 99.39 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.011 -0.995 . . . . 75.43 111.0 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 11.4 mmpt? -63.28 -35.17 79.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.85 0.46 . . . . 74.44 111.255 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.608 HG23 HD12 ' A' ' 28' ' ' LEU . 80.2 mt -73.88 -32.75 35.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.893 0.877 . . . . 72.55 111.923 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE3' ' CE1' ' A' ' 54' ' ' PHE . 16.5 ptpt -75.42 -22.16 57.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.447 -0.783 . . . . 73.23 110.604 174.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.67 -10.27 59.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.314 0.645 . . . . 74.15 111.599 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -77.49 -1.93 32.92 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.335 0.654 . . . . 74.05 110.911 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 29.4 29.69 Favored Glycine 0 C--N 1.353 1.476 0 C-N-CA 122.944 0.307 . . . . 73.14 112.777 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 23' ' ' ILE . 4.5 pp -128.57 166.94 17.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.807 0.443 . . . . 74.23 111.547 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.06 130.36 34.52 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.947 0.899 . . . . 60.1 109.963 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -109.09 131.25 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.758 0.823 . . . . 73.51 110.06 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -104.93 140.71 37.76 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 107.409 -1.33 . . . . 55.21 107.409 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.7 mm -123.61 120.91 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 108.605 -0.887 . . . . 73.55 108.605 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 65' ' ' ILE . 33.1 mt -102.58 106.6 17.31 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.314 -0.995 . . . . 72.14 108.314 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' A' ' 10' ' ' SER . 0.2 OUTLIER -97.54 132.99 42.71 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -139.07 129.58 25.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.164 0.586 . . . . 75.45 109.944 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.541 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 36.3 t70 -133.28 168.95 17.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.432 1.093 . . . . 75.32 109.906 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -55.38 -37.1 67.12 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.783 1.233 . . . . 74.42 112.192 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' OD1' ' HG2' ' A' ' 40' ' ' LYS . 14.0 t70 -133.58 129.92 37.67 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.99 0.516 . . . . 74.42 110.492 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -62.72 -28.87 70.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.881 1.808 . . . . 72.33 115.881 -173.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HG2' ' OD1' ' A' ' 38' ' ' ASP . 5.4 ptpp? -81.68 -34.8 30.49 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.751 1.159 . . . . 73.44 109.984 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -65.8 -38.31 88.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.921 0.889 . . . . 74.25 110.373 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 13.5 tp -55.84 -45.03 78.52 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.662 1.585 . . . . 74.32 111.997 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.39 -18.3 63.04 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.68 0.612 . . . . 73.15 111.724 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -68.32 -51.81 40.5 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.373 -0.602 . . . . 72.21 109.373 173.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.92 -42.14 88.96 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.555 -1.202 . . . . 74.41 110.899 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 ' HA ' HG12 ' A' ' 56' ' ' VAL . 67.2 mt -55.63 -50.48 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.297 1.039 . . . . 72.34 111.277 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -70.07 -28.78 65.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.747 0.419 . . . . 74.5 112.003 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.3 -38.0 84.29 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.815 0.446 . . . . 74.33 111.433 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HB2' HG22 ' A' ' 56' ' ' VAL . 92.1 mt -80.58 -31.38 36.82 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.869 -0.605 . . . . 74.02 111.452 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -65.69 -35.06 79.68 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.068 0.547 . . . . 73.55 111.047 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -29.86 70.26 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.692 0.797 . . . . 75.21 111.388 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.514 ' NE2' HD22 ' A' ' 49' ' ' LEU . 49.1 mt-30 -85.71 3.33 41.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.828 0.851 . . . . 73.21 111.902 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.32 41.23 9.38 Favored Glycine 0 C--N 1.346 1.102 0 C-N-CA 122.74 0.21 . . . . 74.52 113.46 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE1' ' HE3' ' A' ' 24' ' ' LYS . 96.3 m-85 -114.54 141.79 47.26 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.46 0.704 . . . . 71.33 109.654 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.39 81.91 4.7 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 108.937 -0.764 . . . . 74.44 108.937 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 49' ' ' LEU . 4.4 t -100.43 135.62 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.132 0.573 . . . . 73.4 110.307 -171.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' HG3' ' CZ2' ' A' ' 68' ' ' TRP . 3.5 mmp_? -133.66 161.22 35.24 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.561 0.744 . . . . 75.42 112.099 -167.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.55 117.1 29.6 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 113.967 -1.47 . . . . 75.25 107.949 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.62 162.96 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.38 0.672 . . . . 71.02 109.767 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -86.62 -65.91 0.96 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.238 0.615 . . . . 74.52 109.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.71 -170.16 3.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.29 -1.323 . . . . 74.12 108.157 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 35.5 t70 -70.07 -18.36 63.27 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.367 0.667 . . . . 74.14 111.961 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.76 -45.93 48.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.82 0.448 . . . . 74.43 110.219 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.72 -34.7 78.93 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.422 0.63 . . . . 74.35 110.556 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 87.3 mt -66.74 -37.56 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 114.037 -1.438 . . . . 51.14 110.147 175.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.79 -46.86 87.89 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.699 0.8 . . . . 63.35 111.398 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.53 -32.11 72.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.991 0.516 . . . . 75.43 110.224 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.543 ' CZ2' ' HG3' ' A' ' 57' ' ' ARG . 8.1 t90 -67.94 -42.89 80.29 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.396 -0.82 . . . . 74.2 110.774 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.754 HD12 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -75.95 -32.87 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.923 0.489 . . . . 70.14 110.175 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.97 -53.75 53.09 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.693 0.797 . . . . 64.24 111.246 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.69 -37.69 85.08 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.554 0.534 . . . . 73.13 111.497 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.56 -45.32 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.69 0.796 . . . . 72.33 110.607 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HE3' HG23 ' A' ' 81' ' ' VAL . 5.7 mmpt? -65.08 -34.15 77.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.031 0.532 . . . . 75.11 112.133 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -76.28 -42.28 46.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.517 0.727 . . . . 75.13 111.521 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -80.48 -46.62 15.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.869 0.867 . . . . 74.34 111.22 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -124.28 92.26 48.41 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.541 0.737 . . . . 72.5 109.857 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.83 -168.15 0.59 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.707 2.271 . . . . 55.4 110.503 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 73.06 -24.1 0.2 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.28 1.432 . . . . 75.33 113.051 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -105.64 131.44 53.01 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.125 -1.065 . . . . 73.41 108.125 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -85.59 144.62 27.78 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.074 -0.343 . . . . 72.53 110.074 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG21 HD11 ' A' ' 5' ' ' ILE . 42.6 t -117.17 124.88 73.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 124.108 0.963 . . . . 71.25 108.988 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -120.85 112.52 18.91 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.985 0.914 . . . . 74.45 108.793 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.4 mtmt -75.63 124.96 28.11 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.981 0.801 . . . . 75.33 109.737 171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.489 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 89.2 t -114.04 88.49 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 65.24 108.001 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.623 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.2 p -79.92 -36.23 36.68 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 120.621 0.248 . . . . 75.13 110.751 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -116.66 153.25 32.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.376 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -55.71 -38.64 69.99 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.868 1.267 . . . . 71.23 112.163 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.59 -37.44 58.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.332 1.053 . . . . 74.34 112.342 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' HB2' HG11 ' A' ' 84' ' ' VAL . 66.4 mt-30 -71.59 -40.52 69.81 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.309 -0.86 . . . . 71.22 110.646 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' ' 84' ' ' VAL . . . -62.6 -37.24 85.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.645 0.778 . . . . 62.12 111.269 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.12 -35.6 56.18 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.604 0.761 . . . . 75.13 110.983 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -71.25 -43.91 66.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.557 0.343 . . . . 74.21 111.1 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 26.7 pt -65.05 -25.88 38.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 112.43 0.53 . . . . 74.14 112.43 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.65 HD13 HD21 ' A' ' 19' ' ' LEU . 96.9 mt -56.0 -39.09 71.37 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.051 0.387 . . . . 71.53 111.302 170.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.47 -37.49 56.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.417 1.087 . . . . 65.23 110.797 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.574 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 27.8 t70 -68.26 -37.66 80.97 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.267 1.027 . . . . 74.21 111.961 -172.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 93' ' ' ILE . 8.5 mp -75.76 -19.47 59.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.788 0.835 . . . . 75.42 110.533 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.691 . . . . 75.21 109.169 170.343 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 17.3 ttmm . . . . . 0 C--O 1.244 0.814 0 N-CA-C 107.98 -1.119 . . . . 72.32 107.98 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.515 HG21 ' HB3' ' A' ' 29' ' ' GLU . 23.5 pt -110.89 139.25 35.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-O 121.577 0.703 . . . . 74.4 109.181 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mm -113.49 130.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.124 -1.065 . . . . 75.14 108.124 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.59 110.13 31.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 108.421 -0.955 . . . . 73.12 108.421 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 68.4 mt -103.69 124.23 57.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 C-N-CA 124.622 1.169 . . . . 72.24 109.494 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.9 mp -93.12 101.05 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.669 -1.604 . . . . 72.24 106.669 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.444 ' HB3' HD21 ' A' ' 34' ' ' LEU . 36.3 t -98.02 104.07 16.07 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.224 -1.028 . . . . 65.41 108.224 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -89.62 73.35 7.72 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.761 -0.829 . . . . 65.5 108.761 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.85 22.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.198 1.799 . . . . 64.22 114.049 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.06 -178.87 7.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.996 0.918 . . . . 74.43 110.962 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -109.07 -48.29 3.29 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 124.282 1.033 . . . . 73.01 110.722 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -56.09 -42.74 77.2 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.966 1.098 . . . . 74.13 113.966 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.55 -20.72 58.46 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 122.123 -0.361 . . . . 73.51 110.593 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.05 -53.01 16.21 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 120.889 0.376 . . . . 72.41 110.287 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.28 -36.38 82.81 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.072 -0.513 . . . . 74.24 110.906 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.94 -36.52 83.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.192 0.597 . . . . 71.54 110.715 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.63 -35.39 65.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.088 0.955 . . . . 71.23 112.492 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -66.16 -41.61 90.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.532 0.733 . . . . 71.14 111.121 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -36.0 72.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.526 0.73 . . . . 75.05 111.147 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 93' ' ' ILE . 87.3 mt -65.37 -47.34 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.984 0.914 . . . . 75.22 110.933 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -71.85 -21.31 61.69 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.666 0.247 . . . . 75.32 111.666 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.84 -14.64 62.92 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.9 0.88 . . . . 74.2 111.413 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.728 ' HG3' HD22 ' A' ' 97' ' ' LEU . 8.5 mm-40 -85.24 5.87 28.44 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.642 0.777 . . . . 72.04 110.837 174.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.9 5.17 64.55 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.324 0.488 . . . . 40.13 112.559 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 HD21 ' A' ' 97' ' ' LEU . 16.2 mt -78.4 143.66 36.6 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.931 0.493 . . . . 74.52 110.635 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HB3' HG21 ' A' ' 5' ' ' ILE . 43.5 tt0 -89.2 118.12 28.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.288 -1.004 . . . . 74.31 108.288 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -116.96 125.75 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.055 0.542 . . . . 73.14 110.85 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -105.6 132.87 51.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.225 1.41 . . . . 71.4 107.283 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.522 ' HB ' HG21 ' A' ' 56' ' ' VAL . 19.1 mm -109.32 124.65 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.934 -0.765 . . . . 72.23 108.934 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 HD11 HG11 ' A' ' 59' ' ' VAL . 50.0 mt -96.46 110.87 23.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.012 -0.736 . . . . 74.21 109.012 171.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -100.79 128.15 46.95 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.815 -1.084 . . . . 75.54 108.821 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 137.11 38.41 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.679 -0.86 . . . . 74.41 108.679 166.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 17.4 t70 -131.3 171.47 13.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.874 1.27 . . . . 64.12 108.035 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.94 -17.77 56.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.428 0.291 . . . . 73.54 111.008 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -143.49 140.08 30.14 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.792 0.806 . . . . 73.01 111.244 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.55 -28.95 69.7 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 113.74 -1.573 . . . . 65.51 113.751 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -78.71 -38.41 39.11 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.215 0.461 . . . . 75.53 111.925 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -72.69 -34.94 67.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.101 -0.703 . . . . 75.35 109.101 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 22.5 tp -56.65 -54.8 41.91 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.674 -1.148 . . . . 75.12 111.788 174.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.41 -31.61 70.54 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.855 0.862 . . . . 64.3 111.023 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.1 mm-40 -60.63 -62.37 1.91 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.837 -0.431 . . . . 75.21 109.837 173.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -55.09 -38.86 68.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.612 1.165 . . . . 63.21 112.097 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.6 mt -56.96 -57.22 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.863 0.727 . . . . 74.15 110.049 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -67.16 -28.2 67.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.342 -0.845 . . . . 73.2 112.297 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 66.4 mmtt -66.21 -52.66 45.78 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.17 -0.678 . . . . 75.11 109.17 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HB2' HG22 ' A' ' 56' ' ' VAL . 80.6 mt -66.53 -29.65 69.79 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.153 -0.93 . . . . 74.13 111.844 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 45.6 mtpt -73.0 -35.22 66.8 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.17 0.441 . . . . 74.24 111.115 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -63.27 -33.7 76.07 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.27 0.628 . . . . 74.22 110.633 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.42 -21.26 62.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.64 0.776 . . . . 73.45 111.437 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.6 20.98 6.66 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 113.949 0.34 . . . . 54.32 113.949 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 88.1 m-85 -103.33 137.88 40.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.576 0.75 . . . . 75.32 109.438 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.35 89.31 6.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.112 -0.699 . . . . 74.04 109.112 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG22 ' HB2' ' A' ' 49' ' ' LEU . 14.8 t -99.72 132.53 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.533 -0.758 . . . . 65.24 109.771 -175.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.05 153.16 48.05 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 123.415 0.686 . . . . 75.34 110.795 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HG3' HD22 ' A' ' 42' ' ' LEU . 63.6 tttm -89.94 127.41 36.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.998 -1.455 . . . . 74.55 109.587 -173.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 33' ' ' LEU . 6.5 m -114.94 151.18 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.834 0.854 . . . . 73.24 110.401 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -66.41 -74.8 0.1 Allowed 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.799 0.687 . . . . 74.01 109.809 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.36 -178.15 4.13 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.953 0.901 . . . . 70.54 109.357 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HA ' HD13 ' A' ' 65' ' ' ILE . 14.9 m-20 -66.2 -34.08 77.21 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.802 -0.444 . . . . 74.23 109.802 167.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.4 -48.11 13.57 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 114.68 -1.145 . . . . 70.53 111.269 163.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 33.4 t70 -81.95 -19.9 39.69 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.913 0.485 . . . . 63.11 110.724 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 62' ' ' ASP . 60.6 mt -64.25 -55.48 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.338 0.655 . . . . 75.22 110.375 172.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.52 -34.05 77.32 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.097 0.475 . . . . 75.42 110.349 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 64' ' ' ASP . 33.2 ttpt -71.12 -29.19 64.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.325 1.05 . . . . 65.2 110.718 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.468 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.6 t90 -68.36 -42.4 79.27 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 123.288 0.635 . . . . 74.13 109.816 174.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.547 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -72.37 -30.78 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 108.99 -0.744 . . . . 73.11 108.99 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.05 -50.54 70.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.932 0.893 . . . . 65.34 111.081 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.15 -35.36 71.65 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.345 0.403 . . . . 74.34 110.93 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -63.33 -43.36 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 122.735 0.414 . . . . 75.24 111.267 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.08 -33.95 76.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.44 0.696 . . . . 74.4 110.676 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -72.69 -36.35 67.85 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.231 1.012 . . . . 75.21 110.785 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.27 -34.5 36.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.108 0.963 . . . . 73.24 110.267 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -128.94 71.45 81.78 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 124.161 0.984 . . . . 75.0 109.613 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.27 4.59 6.96 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.466 2.111 . . . . 70.32 112.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.75 -11.99 46.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.912 0.885 . . . . 74.24 111.707 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.34 176.04 6.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.368 0.667 . . . . 74.23 110.885 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 4.3 pt-20 -120.58 127.1 51.82 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.041 0.936 . . . . 73.41 109.467 -173.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.05 136.24 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.5 1.12 . . . . 63.13 109.662 -173.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.2 tpt180 -118.48 136.92 53.53 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.642 0.777 . . . . 73.14 109.881 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HG2' HG12 ' A' ' 69' ' ' ILE . 29.9 mtmm -92.55 116.77 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 72.55 108.916 171.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 65.1 t -105.8 90.85 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 123.914 0.886 . . . . 72.01 108.763 175.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.411 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 40.3 p -92.67 -20.68 20.58 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.795 0.438 . . . . 75.42 110.821 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -117.25 151.73 36.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.517 1.127 . . . . 75.34 108.992 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -32.47 71.42 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.889 0.476 . . . . 73.2 109.934 166.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.69 -50.94 41.7 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 124.827 1.251 . . . . 74.2 109.977 171.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.49 -43.16 93.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.303 1.002 . . . . 75.33 111.291 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB3' HG11 ' A' ' 84' ' ' VAL . . . -66.9 -32.67 74.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.294 0.638 . . . . 74.01 111.894 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -78.9 -35.37 43.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.54 0.736 . . . . 74.21 110.802 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -69.27 -45.18 70.3 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.516 0.727 . . . . 73.11 111.295 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 23' ' ' ILE . 37.5 pt -61.86 -33.68 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.832 0.707 . . . . 74.12 112.051 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.69 -40.26 68.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.015 0.371 . . . . 73.43 110.434 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.58 -34.91 58.43 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 75.04 111.072 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 80.5 m-20 -68.81 -22.34 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.56 0.744 . . . . 70.51 110.682 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.728 HD22 ' HG3' ' A' ' 26' ' ' GLU . 1.7 mp -72.1 -42.49 66.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.407 1.083 . . . . 74.34 109.953 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp . . . . . 0 N--CA 1.477 0.875 0 CA-C-N 115.777 -0.647 . . . . 65.22 110.837 -173.271 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 79.4 tttt . . . . . 0 C--O 1.241 0.651 0 N-CA-C 106.468 -1.679 . . . . 74.01 106.468 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 49.5 pt -129.4 147.04 33.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.996 0.903 . . . . 73.31 111.708 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.32 122.89 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 113.933 -1.485 . . . . 75.3 107.218 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.497 HG13 HD11 ' A' ' 69' ' ' ILE . 76.3 t -109.11 112.23 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 108.181 -1.044 . . . . 75.4 108.181 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.51 HD13 ' HB1' ' A' ' 20' ' ' ALA . 35.4 mt -106.55 122.19 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.551 0.74 . . . . 75.1 109.864 -173.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.404 HG13 HD13 ' A' ' 65' ' ' ILE . 3.1 mp -89.13 99.45 9.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 105.89 -1.892 . . . . 74.15 105.89 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -90.59 111.02 22.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.121 0.486 . . . . 61.21 110.266 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 m -123.31 113.29 18.67 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.679 -1.23 . . . . 71.51 107.679 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.65 -78.28 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.114 1.366 . . . . 72.13 112.225 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.78 134.42 49.72 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 61.54 112.886 -165.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -85.16 -22.93 28.6 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.82 1.248 . . . . 75.0 112.751 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -63.76 -25.63 68.27 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.657 0.614 . . . . 74.35 112.657 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.1 -42.28 94.36 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.244 0.545 . . . . 75.44 110.026 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.96 -29.42 58.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.644 1.178 . . . . 73.32 110.705 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -66.67 -46.53 75.38 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.879 -0.6 . . . . 73.41 109.514 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 HD11 ' A' ' 94' ' ' LEU . 95.7 mt -64.68 -32.9 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.181 0.992 . . . . 74.33 110.685 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -59.94 -33.24 71.63 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.186 0.994 . . . . 72.35 111.735 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -72.16 -25.2 61.6 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.245 -0.888 . . . . 75.34 110.958 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 12.8 mptt -79.6 -38.15 34.6 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.464 0.306 . . . . 73.2 110.412 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 20' ' ' ALA . 97.5 mt -58.61 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.001 0.92 . . . . 75.15 110.571 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -56.98 -24.32 52.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 113.068 0.766 . . . . 74.24 113.068 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.67 -19.58 65.81 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.117 0.967 . . . . 73.45 111.979 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' HG3' HD23 ' A' ' 97' ' ' LEU . 25.7 mm-40 -77.78 -4.44 46.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.502 0.721 . . . . 54.22 112.035 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.43 32.99 9.7 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.182 0.301 . . . . 75.51 113.569 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.5 pt? -127.28 147.96 50.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.853 0.861 . . . . 64.0 109.165 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' ILE . 29.8 tt0 -76.17 142.51 41.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.244 0.618 . . . . 71.13 110.392 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 20' ' ' ALA . 58.0 t -121.94 127.97 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.939 0.496 . . . . 73.21 109.892 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.449 ' HE2' HG22 ' A' ' 5' ' ' ILE . 80.2 m-85 -104.04 141.45 36.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.02 -1.104 . . . . 74.21 108.02 175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 HG23 HD21 ' A' ' 34' ' ' LEU . 13.6 mm -122.62 111.68 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 108.081 -1.081 . . . . 74.35 108.081 175.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 mt -90.8 109.09 20.29 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.421 0.688 . . . . 75.32 109.168 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 HG12 ' A' ' 56' ' ' VAL . 4.5 mm? -85.95 122.31 29.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.172 0.589 . . . . 73.42 110.089 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -149.17 115.65 5.86 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.919 0.888 . . . . 71.24 108.897 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -135.63 171.9 13.79 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.66 0.784 . . . . 72.34 109.245 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -64.0 -29.74 70.87 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.012 0.525 . . . . 75.31 110.66 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.93 117.92 26.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.081 0.953 . . . . 62.41 110.099 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.39 -19.33 62.28 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.667 1.187 . . . . 64.21 113.811 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.09 -59.27 4.31 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.261 0.482 . . . . 72.11 111.092 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.3 ttt-85 -76.11 -21.57 56.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.404 0.681 . . . . 73.31 110.592 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.82 -38.12 81.11 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.479 0.712 . . . . 75.53 110.755 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 30.0 tt0 -77.96 -30.72 50.5 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.63 -0.714 . . . . 74.0 112.322 -174.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -66.19 -33.57 76.05 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.782 -0.451 . . . . 74.12 109.782 177.165 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.54 -32.0 73.08 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 115.49 -0.777 . . . . 74.34 110.826 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 43' ' ' GLU . 58.1 mt -59.2 -40.84 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.368 0.667 . . . . 75.34 109.804 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -67.24 -43.24 82.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.809 -0.632 . . . . 75.41 110.232 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -57.38 -41.95 81.18 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.917 0.887 . . . . 70.51 111.709 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 ' NE2' ' A' ' 52' ' ' GLN . 85.0 mt -77.08 -33.41 57.05 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.44 -0.8 . . . . 75.45 112.292 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.89 -33.86 75.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.239 0.216 . . . . 71.54 110.656 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -61.29 -34.33 75.03 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.899 0.48 . . . . 73.23 111.502 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' NE2' HD22 ' A' ' 49' ' ' LEU . 47.7 mt-30 -83.74 -4.62 58.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.293 0.637 . . . . 72.44 111.945 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.27 46.31 8.23 Favored Glycine 0 C--N 1.347 1.159 0 O-C-N 122.959 0.162 . . . . 64.12 113.133 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -104.43 143.16 33.38 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.124 0.57 . . . . 74.32 110.19 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 91.03 6.28 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.173 -1.417 . . . . 74.44 107.173 172.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG12 HD23 ' A' ' 34' ' ' LEU . 49.3 t -93.88 132.84 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.762 -1.108 . . . . 72.32 110.583 -171.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 129.65 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.706 -0.849 . . . . 72.42 108.706 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.94 131.03 34.75 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.328 -0.99 . . . . 73.44 108.328 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG23 HD11 ' A' ' 65' ' ' ILE . 19.0 m -121.14 169.35 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.393 0.677 . . . . 73.12 109.932 -176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.2 mmpt? -93.85 -69.34 0.75 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 122.924 0.489 . . . . 74.32 110.004 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.29 176.04 8.86 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.152 0.581 . . . . 71.02 110.837 -169.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.79 -33.64 72.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.073 0.949 . . . . 70.21 112.067 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.43 -36.97 62.11 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.858 0.463 . . . . 72.22 111.244 165.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.19 -32.13 55.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.247 0.619 . . . . 73.54 111.469 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.496 HD11 HG23 ' A' ' 59' ' ' VAL . 8.9 mm -63.59 -54.08 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 123.692 0.797 . . . . 74.54 110.453 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.99 -38.99 80.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.46 1.104 . . . . 75.32 110.905 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -67.1 -39.34 86.69 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.47 -1.241 . . . . 71.44 110.446 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -61.87 -44.46 96.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.19 0.996 . . . . 74.02 111.124 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.497 HD11 HG13 ' A' ' 7' ' ' VAL . 1.8 mp -74.54 -37.28 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 115.9 -0.591 . . . . 73.44 109.863 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.54 -45.44 91.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.526 0.731 . . . . 73.24 110.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -74.81 -26.6 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.98 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.42 -35.17 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 C-N-CA 122.803 0.441 . . . . 73.34 111.235 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.09 -26.79 68.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.574 0.35 . . . . 75.33 110.953 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -81.6 -37.5 27.54 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.707 0.803 . . . . 73.14 110.195 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 17.8 mm-40 -64.34 -51.83 61.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.298 0.57 . . . . 64.23 110.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -137.42 88.65 16.69 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.308 1.043 . . . . 75.32 108.573 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.63 -7.81 19.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.657 2.238 . . . . 64.01 113.695 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.95 -28.07 69.27 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.597 0.962 . . . . 73.21 113.597 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -113.4 155.19 25.69 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.493 0.923 . . . . 75.22 113.493 -164.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.552 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 52.1 mt-10 -80.0 147.21 31.64 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.396 -1.275 . . . . 73.21 108.495 168.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.91 122.86 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.202 -0.666 . . . . 74.32 109.202 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -113.01 136.73 52.37 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.791 -0.818 . . . . 70.04 108.791 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' HG2' HG12 ' A' ' 69' ' ' ILE . 34.5 mtmm -99.4 117.36 33.66 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.158 -1.053 . . . . 74.2 108.158 171.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.536 HG13 ' HB1' ' A' ' 90' ' ' ALA . 99.1 t -109.56 92.38 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.028 -0.73 . . . . 74.02 109.028 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.4 p -87.64 -16.17 35.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.655 -0.702 . . . . 74.34 111.344 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -137.73 149.55 46.57 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.656 0.782 . . . . 74.41 110.302 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.61 -36.95 57.36 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.073 1.349 . . . . 75.1 112.484 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 14.7 t70 -49.56 -46.21 48.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.547 1.139 . . . . 73.2 112.032 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.25 -34.24 74.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.108 0.563 . . . . 71.21 111.212 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' A' ' 84' ' ' VAL . . . -66.91 -35.61 80.39 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.58 0.55 . . . . 73.22 111.005 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.22 -38.32 75.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.813 0.845 . . . . 74.22 111.047 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 16.5 mm100 -77.36 -35.21 54.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.819 0.448 . . . . 74.22 111.472 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 14.2 pt -72.36 -23.37 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 112.184 0.438 . . . . 75.34 112.184 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -53.92 -31.12 49.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 120.633 0.254 . . . . 73.44 110.342 166.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.85 -54.38 6.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.442 0.697 . . . . 75.42 110.292 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t70 -43.32 -43.36 4.95 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.991 1.316 . . . . 64.54 114.148 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD23 ' HG3' ' A' ' 26' ' ' GLU . 6.5 mp -66.77 -26.63 67.06 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.68 0.792 . . . . 74.22 111.646 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.486 1.334 0 C-N-CA 124.438 1.095 . . . . 63.43 111.195 178.03 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.558 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 109.83 -0.433 . . . . 73.55 109.83 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 79' ' ' LEU . 38.6 pt -122.71 141.37 43.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 108.913 -0.773 . . . . 75.45 108.913 168.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -113.44 126.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.213 -1.032 . . . . 73.42 108.213 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 69' ' ' ILE . 61.7 t -111.42 107.59 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.977 -0.749 . . . . 73.23 108.977 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 20' ' ' ALA . 19.4 mt -100.69 118.66 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.524 0.73 . . . . 73.52 109.588 -174.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.79 101.26 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 107.437 -1.32 . . . . 74.44 107.437 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.509 ' HB3' HD23 ' A' ' 34' ' ' LEU . 48.0 t -100.08 148.14 24.88 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.351 0.66 . . . . 74.51 111.075 -177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 p -144.49 81.66 1.67 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.498 -1.228 . . . . 63.45 109.183 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t70 76.94 -38.13 0.3 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.106 1.362 . . . . 73.03 113.352 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.67 142.73 58.33 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.097 0.559 . . . . 74.23 112.067 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -100.47 -20.79 15.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.77 0.828 . . . . 74.11 112.443 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -58.31 -47.23 84.37 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.68 0.622 . . . . 75.42 112.68 -173.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -76.32 -21.13 56.57 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 111.965 0.357 . . . . 73.32 111.965 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.32 -40.37 70.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.118 0.567 . . . . 73.33 110.365 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.92 -34.28 51.38 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.433 -0.349 . . . . 62.44 110.978 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.72 -35.41 72.64 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.832 0.453 . . . . 75.2 110.077 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 8' ' ' ILE . . . -55.5 -34.79 64.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.441 1.096 . . . . 64.25 112.606 177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -67.7 -36.22 80.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.948 0.899 . . . . 75.41 110.692 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -71.52 -42.01 68.51 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.469 0.708 . . . . 72.52 109.426 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 28' ' ' LEU . 96.4 mt -62.07 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.855 1.262 . . . . 74.43 111.732 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.8 ptpt -76.86 -16.83 59.3 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.737 0.643 . . . . 71.31 112.737 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.33 -12.0 12.14 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.45 0.7 . . . . 73.41 111.967 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HG3' HD21 ' A' ' 97' ' ' LEU . 33.4 mm-40 -73.94 -8.94 57.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.34 1.056 . . . . 74.41 112.64 171.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.21 29.81 13.92 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.053 0.221 . . . . 71.31 112.712 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.622 HD12 HG21 ' A' ' 23' ' ' ILE . 4.5 pp -122.0 158.9 28.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.78 0.832 . . . . 74.23 109.593 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -87.18 143.25 27.38 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.079 0.4 . . . . 74.54 110.824 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 24' ' ' LYS . 71.3 t -120.64 129.84 75.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 123.682 0.793 . . . . 73.04 109.42 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 97.3 m-85 -110.66 117.47 33.59 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.893 1.277 . . . . 73.12 107.985 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.426 ' HB ' HG22 ' A' ' 56' ' ' VAL . 8.5 mm -95.1 122.87 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 108.901 -0.777 . . . . 75.42 108.901 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 59' ' ' VAL . 54.3 mt -97.98 104.57 16.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.131 -0.692 . . . . 75.13 109.131 173.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 10' ' ' SER . 0.7 OUTLIER -89.78 128.22 36.1 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.641 -0.874 . . . . 74.44 108.641 -178.157 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -146.6 122.64 10.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.469 -0.937 . . . . 73.35 108.469 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.76 171.48 13.83 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.572 1.149 . . . . 74.34 108.278 -177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -70.44 -30.51 67.38 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.016 0.527 . . . . 71.54 110.875 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -115.72 113.08 22.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.86 0.864 . . . . 71.04 109.832 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.49 -15.83 63.88 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.326 1.232 . . . . 75.1 114.326 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.89 -59.42 2.72 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.883 0.765 . . . . 75.21 110.234 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -69.13 -22.98 63.92 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.741 0.651 . . . . 74.04 110.169 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.05 -51.49 66.5 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.15 1.38 . . . . 75.13 111.219 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 11.4 mm-40 -63.0 -37.13 85.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.981 0.512 . . . . 71.11 111.478 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.71 -38.12 86.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.495 0.718 . . . . 72.42 110.758 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.8 -41.09 97.3 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.814 1.245 . . . . 74.44 109.923 177.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.84 -46.82 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.678 -1.601 . . . . 74.11 110.854 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.2 mm-40 -64.59 -37.83 88.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 123.468 0.48 . . . . 74.31 111.22 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -64.28 -46.02 85.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.897 0.748 . . . . 75.23 111.202 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 56' ' ' VAL . 97.6 mt -69.3 -31.72 70.39 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 123.841 0.713 . . . . 75.11 112.008 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.59 -35.19 70.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.643 0.377 . . . . 73.52 110.17 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 t -67.49 -31.78 72.14 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.528 0.731 . . . . 71.21 111.311 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.447 HE21 ' HE2' ' A' ' 54' ' ' PHE . 29.0 mt-30 -69.53 -19.39 63.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.191 0.596 . . . . 75.42 111.316 171.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.47 49.71 2.51 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.731 -0.548 . . . . 64.1 111.731 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HE2' HE21 ' A' ' 52' ' ' GLN . 98.2 m-85 -125.48 136.0 52.9 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.807 -1.183 . . . . 73.14 107.807 171.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.56 102.15 9.59 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.835 -0.802 . . . . 75.14 108.835 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 49' ' ' LEU . 27.3 t -113.33 132.54 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.023 -0.989 . . . . 72.5 109.732 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -127.38 143.47 51.21 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.062 -1.088 . . . . 74.33 108.062 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -85.87 132.52 34.08 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.643 -1.243 . . . . 75.41 107.643 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG12 HD11 ' A' ' 33' ' ' LEU . 3.5 m -114.51 152.5 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.335 0.654 . . . . 71.22 110.066 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -73.14 -43.98 60.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.74 -1.118 . . . . 65.43 110.851 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -173.61 -175.66 1.15 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.325 1.05 . . . . 71.15 110.372 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -68.1 -43.22 78.97 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.255 0.835 . . . . 73.53 113.255 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 7.5 m-20 -50.86 -38.08 47.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.556 0.342 . . . . 62.34 110.493 171.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.62 -40.23 76.7 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.594 0.757 . . . . 72.34 109.719 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 33' ' ' LEU . 90.7 mt -62.25 -51.57 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 124.082 0.953 . . . . 74.4 112.141 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.58 -55.27 35.97 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.374 0.67 . . . . 72.43 111.456 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -66.15 -21.24 66.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.285 -0.87 . . . . 74.33 112.795 175.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.404 ' HE3' HD13 ' A' ' 69' ' ' ILE . 54.4 t90 -64.35 -36.72 85.05 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.34 0.591 . . . . 74.24 110.097 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -76.14 -41.88 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 115.353 -0.84 . . . . 73.53 109.958 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 37.9 t70 -61.92 -37.82 86.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.055 0.942 . . . . 65.33 112.037 -172.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 15.1 ptmm? -67.89 -39.1 83.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 123.564 0.54 . . . . 72.12 111.289 178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.55 -33.79 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 122.491 0.316 . . . . 65.34 110.621 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 10.5 mtmp? -63.85 -31.63 72.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.549 0.34 . . . . 72.44 111.169 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -73.78 -39.09 64.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.024 0.53 . . . . 65.51 110.151 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 7.3 mm-40 -71.34 -35.37 71.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.705 0.402 . . . . 62.4 111.338 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -141.02 91.71 8.84 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.665 0.786 . . . . 74.32 110.311 -174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 -15.63 21.06 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.774 2.316 . . . . 75.02 113.048 170.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.1 -29.56 68.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.713 0.805 . . . . 74.11 112.519 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 2.6 pp -110.43 163.1 14.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.488 1.115 . . . . 72.21 110.355 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.558 ' HG2' ' HB3' ' A' ' 4' ' ' LYS . 2.0 pm0 -101.29 164.32 11.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.749 -0.463 . . . . 74.02 109.749 167.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -134.64 130.07 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.496 0.718 . . . . 65.51 109.153 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HG2' HG22 ' A' ' 93' ' ' ILE . 12.5 tpt180 -126.05 125.29 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.196 0.598 . . . . 75.24 110.149 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -91.17 117.36 29.55 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.085 0.554 . . . . 75.12 109.546 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG13 ' HB2' ' A' ' 90' ' ' ALA . 50.1 t -99.2 94.89 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.363 1.065 . . . . 74.23 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -85.98 -8.89 57.66 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.799 -1.092 . . . . 72.43 112.338 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -155.79 158.26 37.84 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.304 1.042 . . . . 74.0 108.454 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 12.6 pt-20 -55.52 -28.81 56.92 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.566 0.747 . . . . 72.14 112.227 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.99 -44.61 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.381 1.073 . . . . 74.53 111.282 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' HB2' HG11 ' A' ' 84' ' ' VAL . 15.7 mm100 -62.31 -37.17 84.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.857 0.723 . . . . 72.31 110.925 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.481 ' HB2' HG13 ' A' ' 84' ' ' VAL . . . -66.88 -33.29 75.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.19 0.596 . . . . 75.35 111.236 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -77.68 -32.67 53.22 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.251 0.621 . . . . 75.04 111.339 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.03 -44.88 83.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.199 0.6 . . . . 65.45 110.005 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 26.3 pt -73.38 -22.67 19.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 112.825 0.676 . . . . 73.12 112.825 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 90' ' ' ALA . 95.6 mt -54.58 -30.27 53.84 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.654 0.661 . . . . 75.23 110.484 167.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.08 -50.42 8.52 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.669 0.787 . . . . 73.34 110.164 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 61.0 m-20 -54.14 -29.17 44.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 113.666 0.987 . . . . 65.55 113.666 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.579 HD21 ' HG3' ' A' ' 26' ' ' GLU . 3.9 mp -75.73 -20.88 58.01 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.775 0.83 . . . . 74.32 110.356 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-N 115.064 -0.971 . . . . 74.34 109.371 173.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 108.87 -0.789 . . . . 75.01 108.87 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.31 158.53 4.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 108.591 -0.892 . . . . 73.23 108.591 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -117.48 136.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 107.692 -1.225 . . . . 72.2 107.692 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 69' ' ' ILE . 97.3 t -113.04 114.73 47.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.142 -1.429 . . . . 74.14 107.142 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 67.4 mt -110.77 123.21 66.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.267 -1.012 . . . . 74.42 108.267 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.645 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -95.9 96.15 5.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 105.251 -2.129 . . . . 74.1 105.251 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.4 t -79.46 98.68 6.89 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.014 -1.476 . . . . 75.34 107.014 -173.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 t -100.37 86.74 3.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.25 -0.886 . . . . 71.13 110.194 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 77.09 -59.39 0.48 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.524 1.529 . . . . 61.14 112.757 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.92 153.73 41.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.308 1.043 . . . . 74.55 111.808 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -84.66 -23.26 29.53 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.979 0.733 . . . . 74.02 112.979 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 m -50.59 -40.67 53.09 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.055 0.761 . . . . 74.35 113.055 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.38 -29.9 66.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.968 0.507 . . . . 73.3 110.677 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.4 -41.43 76.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.165 0.986 . . . . 75.14 110.208 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -69.12 -48.83 61.43 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.974 0.909 . . . . 74.43 111.483 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.709 HD23 HD11 ' A' ' 94' ' ' LEU . 94.9 mt -66.12 -37.97 87.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.565 0.746 . . . . 74.35 111.048 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -35.79 30.55 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.6 1.16 . . . . 72.44 113.564 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -73.85 -30.89 62.92 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.366 -0.833 . . . . 73.21 111.134 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.69 -43.48 89.11 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.474 0.71 . . . . 75.41 110.068 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.61 -52.27 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.779 0.675 . . . . 75.33 112.154 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HB3' HG21 ' A' ' 30' ' ' VAL . 16.6 ptpt -67.19 -19.07 65.51 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.416 0.895 . . . . 74.51 113.416 -173.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.15 -23.79 62.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.539 0.736 . . . . 70.2 111.464 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.54 -1.06 17.09 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.943 0.897 . . . . 63.35 112.295 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 32.12 5.97 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 123.155 0.407 . . . . 72.32 113.933 171.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 174.18 9.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.374 0.67 . . . . 72.33 110.59 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -98.36 147.55 24.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.398 0.679 . . . . 74.01 109.772 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 24' ' ' LYS . 89.5 t -119.44 131.9 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.625 0.77 . . . . 72.31 109.236 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 83.5 m-85 -108.95 115.19 29.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.344 -0.984 . . . . 73.21 108.344 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.432 ' HB ' HG22 ' A' ' 56' ' ' VAL . 34.6 mm -91.33 131.33 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.493 -0.558 . . . . 73.21 109.493 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 9' ' ' ILE . 74.3 mt -103.86 106.75 17.35 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.315 -0.994 . . . . 74.41 108.315 167.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.563 HD12 ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -78.39 127.79 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.729 -0.668 . . . . 73.34 109.28 -173.208 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -133.43 120.5 20.99 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 106.765 -1.568 . . . . 75.53 106.765 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -132.78 170.0 15.9 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.703 -0.851 . . . . 74.41 108.703 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -70.41 -37.44 74.44 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.656 -0.868 . . . . 74.02 108.656 174.472 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.67 123.76 50.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.782 0.833 . . . . 75.35 108.977 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.1 -18.8 65.58 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.139 0.427 . . . . 74.53 111.224 173.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -54.86 -59.17 5.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.864 1.266 . . . . 74.14 109.922 167.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -74.08 -24.42 59.49 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.852 -1.067 . . . . 74.3 111.667 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 34' ' ' LEU . 8.1 tt -60.54 -53.72 54.1 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 72.53 109.699 174.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.06 -39.89 91.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.839 0.856 . . . . 74.4 111.278 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.94 -40.65 91.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.835 0.854 . . . . 74.12 110.572 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HD2' HD12 ' A' ' 34' ' ' LEU . 38.8 ttmt -72.5 -26.76 61.9 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.843 0.857 . . . . 73.41 111.209 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.579 HG22 ' HB ' ' A' ' 56' ' ' VAL . 38.8 mt -59.0 -44.79 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.086 -0.709 . . . . 74.05 109.086 169.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -67.71 -39.07 84.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.148 0.579 . . . . 65.1 110.879 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.19 -55.0 38.5 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.95 0.781 . . . . 73.35 110.711 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' HB2' HG23 ' A' ' 56' ' ' VAL . 65.2 mt -71.67 -36.93 70.79 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.204 -0.907 . . . . 74.41 112.043 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 30.2 mtpp -62.38 -42.0 99.08 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 118.604 0.638 . . . . 73.41 111.254 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 t -65.45 -30.43 71.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.216 0.606 . . . . 75.15 111.656 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' NE2' HD21 ' A' ' 49' ' ' LEU . 49.9 mt-30 -71.47 -22.39 61.82 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.775 0.43 . . . . 75.3 111.106 173.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.74 6.92 7.63 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-O 119.652 -0.527 . . . . 70.25 113.96 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 93.7 m-85 -85.33 160.8 19.73 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.647 0.724 . . . . 74.53 110.76 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -104.22 114.65 29.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.476 -1.305 . . . . 72.44 107.476 165.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.579 ' HB ' HG22 ' A' ' 46' ' ' ILE . 12.4 t -117.66 133.16 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.26 0.624 . . . . 65.43 109.815 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -127.23 152.48 47.33 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.689 0.796 . . . . 74.03 110.665 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -92.3 125.55 37.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 108.006 -1.109 . . . . 74.43 108.006 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 33' ' ' LEU . 5.6 m -121.06 178.78 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.901 0.88 . . . . 71.42 110.169 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -109.24 -96.58 0.39 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.562 0.745 . . . . 73.25 109.838 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -95.6 175.35 6.58 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.523 0.729 . . . . 75.01 109.159 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 65' ' ' ILE . 26.7 t70 -64.23 -27.94 69.4 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.38 0.672 . . . . 72.12 111.011 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -54.55 -48.24 72.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.371 0.668 . . . . 74.25 111.267 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.4 -33.67 65.12 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.649 0.779 . . . . 74.44 111.132 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.486 HG22 HD13 ' A' ' 33' ' ' LEU . 93.6 mt -59.83 -49.17 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.797 -1.092 . . . . 63.41 110.041 171.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.11 -38.19 90.2 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.026 0.93 . . . . 63.05 111.124 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -72.07 -29.67 64.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.726 0.81 . . . . 74.5 110.549 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -70.36 -33.85 71.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.697 0.799 . . . . 73.31 110.333 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.574 HG12 ' HG3' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -36.46 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.003 0.521 . . . . 75.23 109.638 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.14 -43.05 82.07 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.993 0.917 . . . . 72.44 111.771 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -66.42 -36.6 83.22 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.212 -0.423 . . . . 74.44 111.369 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mt -70.17 -36.29 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.207 0.458 . . . . 75.41 110.401 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.516 0.326 . . . . 74.45 110.591 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 4.1 ttmp? -79.16 -42.6 25.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 74.52 111.629 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 16.8 mm-40 -82.77 -40.23 20.75 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.264 0.626 . . . . 74.44 110.33 -176.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -129.65 83.55 64.15 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.937 0.895 . . . . 72.04 110.965 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.74 -5.95 18.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.928 2.419 . . . . 72.43 112.271 166.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.02 -7.14 38.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.317 1.047 . . . . 74.05 113.199 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.44 144.34 34.37 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.058 0.943 . . . . 73.42 109.714 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.46 144.41 39.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.434 -0.58 . . . . 75.23 109.434 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.35 123.82 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.195 -0.669 . . . . 63.55 109.195 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -109.54 132.9 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.726 0.811 . . . . 71.45 109.451 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.574 ' HG3' HG12 ' A' ' 69' ' ' ILE . 12.0 mtpt -95.47 121.28 36.98 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 108.721 -0.844 . . . . 71.1 108.721 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 93' ' ' ILE . 69.4 t -122.02 89.54 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 N-CA-C 107.891 -1.151 . . . . 74.41 107.891 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.645 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 16.4 p -91.27 -25.02 19.67 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.011 0.524 . . . . 70.12 111.309 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -117.96 155.12 30.8 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.042 0.937 . . . . 71.4 110.129 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.78 -44.69 86.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.604 1.161 . . . . 74.13 112.738 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 7.6 p-10 -57.77 -37.87 74.44 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.614 0.571 . . . . 73.15 111.388 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' HB2' HG11 ' A' ' 84' ' ' VAL . 49.9 mt-30 -62.98 -41.23 99.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.17 0.588 . . . . 72.41 110.471 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.21 68.08 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.672 0.789 . . . . 70.23 111.914 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.1 -34.48 43.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.454 0.702 . . . . 73.31 111.816 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.9 mm100 -78.82 -36.6 42.34 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.628 0.371 . . . . 72.21 111.46 -176.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 84' ' ' VAL . 23.0 pt -62.28 -27.24 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 111.725 0.269 . . . . 73.42 111.725 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.709 HD11 HD23 ' A' ' 19' ' ' LEU . 95.7 mt -51.69 -42.76 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.51 0.324 . . . . 74.44 111.59 171.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.81 -28.83 27.82 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.721 0.808 . . . . 71.24 111.645 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 15.7 t70 -61.08 -47.92 84.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.957 0.903 . . . . 74.52 111.366 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.31 -20.55 63.0 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.98 -1.009 . . . . 75.44 110.82 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 28.1 mmmt . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 123.214 0.605 . . . . 74.33 110.601 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 20.7 ttpt . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 109.501 -0.555 . . . . 71.42 109.501 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.442 HD13 HG23 ' A' ' 72' ' ' ILE . 46.8 pt -121.26 144.29 30.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 107.927 -1.138 . . . . 72.32 107.927 168.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.513 HG13 HG21 ' A' ' 23' ' ' ILE . 47.2 mm -113.13 106.91 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.919 -0.771 . . . . 73.34 108.919 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.659 HG11 HD11 ' A' ' 69' ' ' ILE . 54.1 t -80.27 125.05 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 109.376 -0.601 . . . . 71.31 109.376 171.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.43 HG12 ' HB ' ' A' ' 84' ' ' VAL . 37.0 mt -116.26 131.21 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.001 -0.74 . . . . 70.14 109.001 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.666 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -96.24 92.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 105.906 -1.887 . . . . 74.23 105.906 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 t -100.49 123.12 44.29 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.521 -0.763 . . . . 65.32 110.343 -170.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -138.55 119.35 14.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.545 -1.28 . . . . 70.52 107.545 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 73.2 -79.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.137 1.375 . . . . 72.5 113.607 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.79 138.63 58.57 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 113.756 1.021 . . . . 75.53 113.756 -166.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.2 m -89.51 -14.82 34.39 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.27 -1.332 . . . . 75.24 111.973 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -29.64 69.75 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.973 -0.455 . . . . 74.15 111.704 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.13 -29.77 66.78 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.826 -0.435 . . . . 74.55 109.826 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG2' HD23 ' A' ' 49' ' ' LEU . 33.0 mt-10 -76.53 -37.33 56.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.574 1.15 . . . . 72.32 109.708 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 35.5 mm-40 -62.99 -58.46 7.24 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 115.479 -0.782 . . . . 64.54 109.369 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.8 mt -54.0 -40.19 66.75 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.632 1.208 . . . . 72.32 110.797 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' HG12 ' A' ' 30' ' ' VAL . . . -54.44 -48.93 71.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.327 1.051 . . . . 53.1 112.046 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -68.59 -25.53 64.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.857 -1.065 . . . . 74.4 111.143 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 1.8 mptm? -83.82 -35.95 23.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.329 0.652 . . . . 65.41 111.718 177.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.513 HG21 HG13 ' A' ' 6' ' ' ILE . 74.3 mt -56.92 -52.19 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 123.599 0.76 . . . . 73.54 110.638 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HB3' HG22 ' A' ' 30' ' ' VAL . 16.7 ptpt -60.25 -22.4 63.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 124.176 0.922 . . . . 75.41 112.909 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.21 -23.93 65.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.329 0.652 . . . . 73.4 111.78 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.96 -1.54 9.95 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.361 0.664 . . . . 72.21 112.533 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 26.08 7.45 Favored Glycine 0 C--N 1.345 1.071 0 C-N-CA 122.968 0.318 . . . . 53.23 112.819 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -128.57 176.57 7.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.469 0.708 . . . . 75.02 110.545 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -107.0 153.0 23.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.709 0.403 . . . . 73.41 110.074 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' A' ' 24' ' ' LYS . 88.7 t -119.37 127.5 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 123.69 0.796 . . . . 71.5 109.615 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -103.24 154.74 19.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.368 -1.345 . . . . 75.32 107.368 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG23 HD11 ' A' ' 49' ' ' LEU . 31.9 mm -124.97 134.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 108.597 -0.89 . . . . 73.32 108.597 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD12 HG13 ' A' ' 59' ' ' VAL . 28.8 mt -104.68 113.21 26.65 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.642 -0.873 . . . . 71.15 108.642 164.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD13 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 122.34 39.8 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.848 -0.797 . . . . 74.5 108.848 -176.124 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.61 116.25 8.67 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 107.687 -1.227 . . . . 70.35 107.687 172.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.514 ' H ' HD13 ' A' ' 42' ' ' LEU . 31.7 t70 -134.05 162.76 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.419 0.687 . . . . 74.14 109.673 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HZ3' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -69.57 -25.33 63.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.809 0.843 . . . . 75.22 111.685 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.39 112.77 23.56 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.948 0.899 . . . . 71.12 109.103 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -29.29 61.57 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.629 0.772 . . . . 73.31 111.353 168.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -56.07 -58.19 8.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 74.33 110.76 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.86 -30.5 62.69 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.342 -0.845 . . . . 73.34 111.09 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HG ' HD13 ' A' ' 34' ' ' LEU . 8.3 tt -58.48 -50.64 73.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.249 1.02 . . . . 74.34 110.088 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.38 -47.04 82.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.46 1.104 . . . . 75.53 111.319 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.93 -45.32 93.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.599 -0.728 . . . . 64.01 110.078 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.33 -39.52 90.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.289 1.036 . . . . 74.32 111.849 -174.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.54 HG22 ' HB ' ' A' ' 56' ' ' VAL . 43.6 mt -55.96 -49.58 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.867 0.73 . . . . 74.43 109.964 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -71.51 -26.44 62.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.156 0.582 . . . . 75.22 112.002 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 32.8 mmtp -72.52 -39.0 67.91 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.936 0.398 . . . . 71.14 109.985 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.1 mt -72.08 -39.19 69.15 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.446 -0.797 . . . . 72.52 111.041 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 47.0 mtpt -66.78 -32.53 73.88 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.452 0.301 . . . . 74.24 110.584 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -41.76 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 122.908 0.483 . . . . 75.1 110.991 169.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 49' ' ' LEU . 47.2 mt-30 -72.31 -13.72 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.542 0.737 . . . . 74.43 111.492 174.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.71 52.81 1.75 Allowed Glycine 0 C--N 1.35 1.332 0 C-N-CA 123.304 0.478 . . . . 74.31 112.516 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -123.42 143.27 50.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.442 0.697 . . . . 75.41 110.318 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.42 87.62 7.47 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.531 -0.914 . . . . 75.12 108.531 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.54 ' HB ' HG22 ' A' ' 46' ' ' ILE . 8.0 t -97.09 131.42 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.185 -0.916 . . . . 74.41 110.505 -171.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -133.12 141.14 48.0 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.866 1.266 . . . . 74.55 108.022 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -87.04 139.16 30.85 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.851 0.46 . . . . 75.14 109.921 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG13 HD12 ' A' ' 33' ' ' LEU . 9.8 m -137.91 177.81 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.328 1.051 . . . . 75.44 108.592 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -103.84 -78.34 0.56 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.289 0.636 . . . . 74.24 111.289 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -124.03 176.24 6.47 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.874 0.87 . . . . 64.23 108.748 -169.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 23.3 t70 -71.72 -15.25 62.19 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.934 0.397 . . . . 74.12 110.847 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.13 -48.53 76.05 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.386 0.675 . . . . 72.45 109.571 165.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.54 -42.81 58.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.28 1.032 . . . . 75.43 110.501 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 94.3 mt -63.52 -55.37 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.861 0.865 . . . . 74.11 111.189 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 36.1 t70 -59.5 -34.45 72.62 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.049 0.54 . . . . 61.0 111.286 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -77.57 -31.73 53.33 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.137 1.375 . . . . 74.44 110.76 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.502 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.0 t90 -69.13 -43.15 74.97 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.413 1.085 . . . . 75.15 110.195 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.659 HD11 HG11 ' A' ' 7' ' ' VAL . 2.0 mp -72.76 -38.72 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.146 0.578 . . . . 72.13 109.59 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.72 -43.43 76.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.1 0.96 . . . . 72.32 111.018 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -74.65 -34.65 62.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.029 -0.51 . . . . 73.11 111.276 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.7 mm -61.05 -38.32 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 118.317 0.508 . . . . 72.23 110.154 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -72.9 -27.78 62.09 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.753 0.649 . . . . 74.24 112.753 -177.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -89.16 -38.14 14.52 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 120.727 0.299 . . . . 74.43 110.664 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.45 -39.13 68.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.762 0.825 . . . . 70.13 109.808 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -122.33 79.49 45.08 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 124.274 1.03 . . . . 61.34 108.911 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.48 9.77 3.55 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.748 2.299 . . . . 73.21 112.809 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -75.88 -45.51 35.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.731 0.813 . . . . 74.31 109.56 174.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -110.45 137.7 47.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.416 0.686 . . . . 74.42 110.478 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.92 152.54 21.99 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.601 -0.888 . . . . 70.44 108.601 172.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 69' ' ' ILE . 16.4 t -128.59 143.6 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.805 -0.443 . . . . 74.24 109.805 -174.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -126.54 131.65 51.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.062 0.945 . . . . 74.41 109.611 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HD2' HG23 ' A' ' 65' ' ' ILE . 38.9 mtmt -84.05 138.06 33.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.854 0.861 . . . . 74.0 109.241 170.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.538 HG12 ' HB1' ' A' ' 90' ' ' ALA . 43.9 t -130.11 94.0 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.735 0.814 . . . . 75.44 109.443 176.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.666 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 66.7 p -81.8 -30.43 32.23 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 120.899 0.381 . . . . 75.14 112.011 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -119.39 158.46 26.11 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.432 0.693 . . . . 73.44 111.105 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -50.21 -47.42 54.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.164 1.386 . . . . 75.44 111.597 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 37.1 t70 -63.06 -31.65 72.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.9 -0.591 . . . . 72.44 111.549 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' HB2' HG13 ' A' ' 84' ' ' VAL . 11.0 mm100 -67.62 -35.88 79.77 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.692 0.397 . . . . 62.22 110.636 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.538 ' HB1' HG12 ' A' ' 84' ' ' VAL . . . -67.99 -34.14 75.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.861 -0.609 . . . . 72.42 111.076 172.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 8.8 mtpm? -69.51 -40.71 76.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.149 0.579 . . . . 73.13 111.057 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.5 mm-40 -66.32 -47.02 74.89 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.573 0.546 . . . . 61.34 110.016 -176.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 40.4 pt -66.31 -28.62 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.655 0.613 . . . . 74.42 112.655 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 35.9 mt -57.54 -51.05 71.04 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 118.391 0.541 . . . . 75.43 109.683 170.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.15 -26.63 67.52 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.517 1.127 . . . . 74.24 111.574 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.5 t70 -80.89 -27.58 36.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.137 0.975 . . . . 74.13 111.019 -175.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -80.51 -14.86 57.89 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.281 0.633 . . . . 73.45 110.073 174.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 26.2 mmmt . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.444 -0.576 . . . . 74.22 109.444 173.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.6 ttmm . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 106.384 -1.71 . . . . 73.43 106.384 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.46 HD12 HG23 ' A' ' 81' ' ' VAL . 39.1 pt -134.19 148.82 29.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 CA-C-O 121.334 0.588 . . . . 73.25 109.502 169.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mm -116.35 126.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.014 -1.106 . . . . 74.03 108.014 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 83.4 t -104.94 114.64 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.111 -1.07 . . . . 74.22 108.111 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.1 mt -104.8 120.65 55.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.908 -0.775 . . . . 75.23 108.908 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.59 91.35 3.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 106.507 -1.664 . . . . 73.01 106.507 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.628 ' HA ' HD13 ' A' ' 16' ' ' LEU . 8.7 t -87.96 111.96 22.05 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.903 -0.589 . . . . 74.15 110.896 -170.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -82.23 -145.06 0.06 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.949 1.3 . . . . 71.21 109.388 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.3 -25.11 54.49 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 123.151 0.581 . . . . 71.3 110.719 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.8 130.07 43.25 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.343 0.657 . . . . 70.34 111.407 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 13.4 t -89.53 -18.48 26.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.84 0.456 . . . . 74.15 111.943 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -57.33 -30.89 65.17 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.585 0.63 . . . . 75.51 111.51 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.628 HD13 ' HA ' ' A' ' 10' ' ' SER . 11.5 mt -57.12 -55.62 32.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.662 1.185 . . . . 73.1 111.652 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.75 -24.08 56.06 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.405 1.082 . . . . 73.41 111.944 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 14' ' ' THR . 43.9 mt-10 -70.23 -50.92 34.88 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.967 0.507 . . . . 72.1 110.138 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 67.8 mt -64.35 -32.32 73.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.847 0.859 . . . . 72.0 111.395 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -37.41 7.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.135 1.374 . . . . 74.33 113.468 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -72.02 -42.3 66.52 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.109 -0.496 . . . . 74.12 111.35 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 11.4 mptt -58.65 -36.43 74.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.059 0.544 . . . . 74.2 110.677 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.35 -56.86 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 123.491 0.495 . . . . 74.52 110.613 173.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 30' ' ' VAL . 14.5 ptpt -67.85 -19.3 65.03 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.523 0.935 . . . . 72.42 113.523 -172.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -65.73 -10.8 40.16 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 112.735 0.643 . . . . 75.35 112.735 172.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.28 -15.27 60.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.106 0.562 . . . . 74.11 111.388 170.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.44 25.65 4.87 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.371 -0.127 . . . . 61.23 113.31 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -127.58 175.85 7.94 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.449 0.7 . . . . 71.34 110.185 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -100.45 152.01 20.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.728 0.411 . . . . 71.2 111.015 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 24' ' ' LYS . 95.9 t -120.49 125.83 74.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.061 0.944 . . . . 75.51 109.581 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.7 m-85 -104.74 126.91 52.29 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 107.274 -1.38 . . . . 74.43 107.274 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.3 mm -101.82 128.37 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.119 -0.697 . . . . 60.44 109.119 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD11 HG21 ' A' ' 65' ' ' ILE . 37.5 mt -100.23 107.4 19.22 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.238 -0.653 . . . . 73.15 109.238 169.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -86.77 128.19 35.02 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.104 -0.953 . . . . 62.14 109.205 -174.796 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -130.62 121.32 25.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.763 0.825 . . . . 70.03 109.415 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.547 ' H ' HD11 ' A' ' 42' ' ' LEU . 23.1 t70 -135.27 165.41 25.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.152 0.981 . . . . 73.12 108.885 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.541 ' HE3' ' N ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -70.91 -20.54 62.47 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.065 0.546 . . . . 74.01 110.979 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.4 122.15 32.83 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.085 0.954 . . . . 52.02 108.84 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.74 -31.56 62.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.847 1.259 . . . . 72.45 113.975 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -80.92 -36.67 30.79 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 117.723 0.238 . . . . 72.02 110.641 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -65.58 -41.2 93.13 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.514 0.673 . . . . 71.04 110.05 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' H ' ' A' ' 36' ' ' ASP . 7.2 tt -52.62 -45.62 66.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.551 1.54 . . . . 74.25 110.478 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.52 -31.93 65.73 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.518 1.127 . . . . 74.22 112.519 -172.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 52.9 mt-10 -64.28 -41.65 96.79 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.189 0.519 . . . . 74.44 109.822 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.77 -32.86 73.73 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.053 -0.976 . . . . 73.33 111.052 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.492 HG22 ' HB ' ' A' ' 56' ' ' VAL . 37.9 mt -58.73 -42.02 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 N-CA-C 109.531 -0.544 . . . . 61.14 109.531 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.74 -38.66 87.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.011 0.524 . . . . 71.11 111.145 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.522 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 10.8 mmpt? -60.03 -46.39 89.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.433 0.693 . . . . 73.31 111.556 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.658 ' HB2' HG22 ' A' ' 56' ' ' VAL . 81.4 mt -79.67 -31.74 41.43 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.292 -0.867 . . . . 75.45 111.793 -174.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -65.91 -38.08 87.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.925 0.49 . . . . 64.42 110.644 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -61.26 -33.33 73.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.351 0.66 . . . . 64.25 111.299 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' NE2' HD23 ' A' ' 49' ' ' LEU . 50.6 mt-30 -79.97 -11.26 59.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.885 0.874 . . . . 75.14 111.902 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.01 27.16 10.48 Favored Glycine 0 C--N 1.348 1.23 0 N-CA-C 113.896 0.318 . . . . 75.13 113.896 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -100.23 138.51 37.19 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.995 -0.743 . . . . 75.23 108.995 175.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -81.55 90.73 6.28 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.31 -0.626 . . . . 70.03 109.31 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 49' ' ' LEU . 10.2 t -97.81 134.26 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.673 -0.694 . . . . 74.44 109.711 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.67 155.5 44.92 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.443 0.697 . . . . 75.31 110.502 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HE2' HD13 ' A' ' 42' ' ' LEU . 10.0 tmtt? -93.06 132.54 37.07 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.456 -1.247 . . . . 74.21 108.177 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 m -123.38 150.04 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.037 0.935 . . . . 74.01 109.499 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -78.52 -32.89 48.28 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.592 0.357 . . . . 74.3 110.601 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -170.6 -172.98 1.31 Allowed 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.822 0.701 . . . . 72.42 110.631 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.98 -35.8 66.96 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.377 1.071 . . . . 75.44 112.43 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.1 -32.67 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.296 0.638 . . . . 74.54 111.262 171.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.79 -35.37 64.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.733 0.813 . . . . 73.32 111.086 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 33' ' ' LEU . 70.7 mt -58.88 -45.61 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 124.05 0.844 . . . . 75.12 112.492 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.18 -45.5 87.4 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.047 0.385 . . . . 64.02 111.012 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -61.76 -34.01 75.1 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.381 -0.827 . . . . 74.42 111.58 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 29.2 t90 -67.33 -45.26 76.96 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.547 0.739 . . . . 72.44 110.445 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -69.12 -40.46 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 122.505 0.322 . . . . 73.44 110.17 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.08 -40.19 94.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.448 0.699 . . . . 74.24 111.528 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.9 ptpt -72.32 -31.98 66.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 119.124 -0.465 . . . . 73.33 111.336 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 68' ' ' TRP . 34.2 mm -68.42 -39.53 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.612 0.365 . . . . 74.1 110.774 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.79 -27.81 67.88 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.429 -0.351 . . . . 75.32 110.942 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.646 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 4.3 ttmp? -83.88 -38.72 20.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.806 0.842 . . . . 72.32 111.549 -176.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -78.57 -38.6 39.79 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.1 0.56 . . . . 73.34 109.897 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HE ' HD22 ' A' ' 79' ' ' LEU . 66.8 mtp85 -123.08 83.95 51.07 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.457 1.103 . . . . 71.35 108.776 -176.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.78 4.05 6.77 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.986 2.457 . . . . 73.31 113.725 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -101.26 20.21 16.22 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.198 0.599 . . . . 73.31 111.018 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.586 HD22 ' HE ' ' A' ' 76' ' ' ARG . 2.7 pp -142.45 157.74 44.44 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.159 0.584 . . . . 73.22 111.66 170.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG2' ' HG3' ' A' ' 4' ' ' LYS . 2.5 pm0 -102.65 148.48 25.52 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.804 1.242 . . . . 73.51 109.059 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 5' ' ' ILE . 39.4 t -124.46 128.5 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.166 0.586 . . . . 74.44 110.723 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -111.94 139.28 47.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.431 1.092 . . . . 73.12 109.109 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HG2' HG12 ' A' ' 69' ' ' ILE . 41.5 mtmt -98.89 131.13 45.22 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.698 -0.852 . . . . 75.41 108.698 172.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 93' ' ' ILE . 75.1 t -122.69 101.75 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.15 0.98 . . . . 72.02 109.957 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.9 p -85.83 -54.93 4.22 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.333 0.253 . . . . 73.14 110.368 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 12.1 m-20 -87.32 151.65 22.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.485 0.714 . . . . 62.43 110.219 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -64.48 -28.45 69.67 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.905 0.482 . . . . 74.43 110.089 171.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -57.07 -38.16 72.91 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.251 1.42 . . . . 73.45 111.26 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.527 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 13.0 mm100 -74.33 -31.34 62.41 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.472 -0.785 . . . . 74.12 110.742 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.47 66.81 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.155 0.582 . . . . 74.42 111.582 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 29.4 mtpp -75.74 -32.48 60.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.498 0.719 . . . . 73.23 110.208 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.69 -52.19 27.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.937 0.895 . . . . 73.35 111.277 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 30.0 pt -60.3 -25.81 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 112.841 0.682 . . . . 64.43 112.841 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 82.1 mt -53.88 -42.74 68.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.31 0.244 . . . . 72.42 110.827 170.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.46 -24.88 27.22 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.939 0.895 . . . . 74.34 112.144 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -77.72 -30.94 51.97 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.432 0.693 . . . . 64.11 111.297 -170.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.28 -18.72 60.0 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.833 0.453 . . . . 75.25 110.194 171.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.2 mmmt . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 122.676 0.391 . . . . 74.1 110.685 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 12.8 ttmm . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.86 -0.422 . . . . 71.05 109.86 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 72' ' ' ILE . 45.4 pt -136.32 146.61 28.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.646 -1.242 . . . . 73.34 107.646 163.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 mm -115.12 138.56 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.682 -1.229 . . . . 72.2 107.682 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG13 HD13 ' A' ' 69' ' ' ILE . 91.9 t -117.57 116.26 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.299 -1.371 . . . . 72.53 107.299 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 HD13 ' HB2' ' A' ' 20' ' ' ALA . 44.2 mt -107.53 127.42 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.259 -0.645 . . . . 74.11 109.259 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.71 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -92.46 93.49 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 106.124 -1.806 . . . . 72.41 106.124 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -88.55 104.74 17.11 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.89 -1.05 . . . . 73.51 110.098 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.465 ' OG ' ' HD3' ' A' ' 35' ' ' LYS . 13.6 m -125.45 106.46 9.81 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.364 -0.835 . . . . 65.43 109.076 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 74.17 -68.76 0.21 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.34 1.456 . . . . 71.23 111.653 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.73 149.62 39.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.14 0.976 . . . . 72.34 112.942 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -103.54 -23.68 13.48 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 124.839 1.256 . . . . 74.41 112.228 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -62.56 -26.6 68.66 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.3 0.64 . . . . 73.45 111.5 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.12 -45.32 87.48 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.279 1.032 . . . . 75.13 110.694 173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -79.34 -29.2 42.17 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.392 -1.276 . . . . 75.14 110.206 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.42 -49.47 71.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.558 1.143 . . . . 72.24 109.026 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD21 HD13 ' A' ' 94' ' ' LEU . 94.1 mt -67.19 -29.44 69.12 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.654 -1.157 . . . . 73.3 111.421 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' HG12 ' A' ' 30' ' ' VAL . . . -53.04 -37.44 61.57 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.92 0.888 . . . . 71.34 112.54 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.9 -38.18 89.92 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.177 0.991 . . . . 73.53 111.254 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -40.0 63.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.789 0.835 . . . . 75.15 110.493 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.78 -57.26 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 122.841 0.456 . . . . 74.14 110.259 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HB3' HG22 ' A' ' 30' ' ' VAL . 15.8 ptpt -65.82 -18.67 65.49 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.041 0.756 . . . . 75.51 113.041 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.65 -22.36 45.25 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 74.31 112.175 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.97 -23.09 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.264 0.626 . . . . 73.44 112.388 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.68 37.78 0.88 Allowed Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.441 -0.345 . . . . 73.44 112.64 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.47 177.24 7.13 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.466 0.706 . . . . 74.41 110.235 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -101.81 150.84 22.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.459 0.704 . . . . 74.3 110.421 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG22 ' HB3' ' A' ' 24' ' ' LYS . 85.8 t -121.95 132.15 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.558 0.743 . . . . 71.34 109.939 173.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 73.2 m-85 -107.3 114.2 28.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.527 1.131 . . . . 72.35 108.526 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 49' ' ' LEU . 44.4 mm -92.62 121.55 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.752 -0.832 . . . . 75.32 108.752 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD13 HG11 ' A' ' 59' ' ' VAL . 54.6 mt -101.12 103.16 14.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.474 -0.936 . . . . 73.2 108.474 175.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.25 118.66 28.0 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 106.593 -1.632 . . . . 72.24 106.593 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.634 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 8.6 mtpm? -101.09 113.43 26.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.761 -0.829 . . . . 63.23 108.761 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -140.55 162.26 35.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.201 0.6 . . . . 75.33 109.541 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -102.04 -6.52 23.27 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.319 0.648 . . . . 74.34 111.525 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.39 178.69 4.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.803 0.841 . . . . 65.05 109.853 -173.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.17 6.81 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.796 0.438 . . . . 74.14 111.802 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 8.5 mtpm? -69.11 -59.61 2.91 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.866 0.466 . . . . 73.3 111.497 -172.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -67.48 -42.53 82.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.143 0.977 . . . . 75.25 110.707 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -49.9 -58.3 5.71 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.256 0.973 . . . . 73.11 112.073 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 43.2 tt0 -66.45 -32.65 74.15 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.674 0.609 . . . . 75.42 111.012 -172.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 38.6 mm-40 -61.47 -57.01 13.87 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.207 -0.664 . . . . 75.35 109.207 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -54.4 -45.78 72.99 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.534 1.146 . . . . 73.31 111.995 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -54.74 -50.61 59.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 O-C-N 124.2 0.938 . . . . 72.4 110.501 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.1 mm100 -68.26 -29.5 68.31 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.343 0.497 . . . . 74.51 112.343 -176.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 68.8 mmtt -66.54 -42.51 87.05 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.451 0.643 . . . . 73.32 109.868 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' HG22 ' A' ' 56' ' ' VAL . 54.0 mt -72.71 -39.5 66.92 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.977 -1.01 . . . . 75.43 111.421 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.53 -32.62 74.09 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.851 0.46 . . . . 74.21 110.918 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 t -59.48 -35.67 74.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.518 0.727 . . . . 73.31 111.24 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.98 -14.53 60.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.553 0.741 . . . . 74.12 111.456 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.68 1.55 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 112.021 -0.431 . . . . 64.13 112.021 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.3 141.24 52.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.783 0.833 . . . . 72.43 109.982 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -80.97 85.52 6.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.327 0.651 . . . . 64.23 109.285 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 49' ' ' LEU . 13.6 t -95.84 134.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.173 0.589 . . . . 73.35 110.246 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 85.0 mmt-85 -130.99 166.46 20.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.958 0.903 . . . . 72.2 110.527 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -99.1 127.57 45.08 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.391 -1.277 . . . . 65.14 108.39 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG11 HD13 ' A' ' 33' ' ' LEU . 13.0 m -128.61 157.42 41.21 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 C-N-CA 123.907 0.883 . . . . 53.42 108.738 171.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -82.06 -70.82 0.52 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.194 -0.669 . . . . 74.35 109.194 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 4.1 t70 -142.19 -174.35 4.08 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.588 -0.733 . . . . 72.33 109.912 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HA ' HD11 ' A' ' 65' ' ' ILE . 35.0 t70 -72.37 -21.22 61.33 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.765 0.426 . . . . 75.24 111.735 -169.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.98 -45.39 90.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.487 0.715 . . . . 73.12 110.533 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.55 -35.28 75.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.397 1.079 . . . . 73.4 110.819 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.447 HG23 ' HD2' ' A' ' 83' ' ' LYS . 84.5 mt -63.99 -41.73 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 114.634 -1.166 . . . . 74.04 111.443 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.66 -40.66 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 117.941 0.337 . . . . 64.34 111.221 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -69.76 -34.92 74.44 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.965 0.791 . . . . 73.4 110.709 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.459 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 50.2 t90 -69.56 -33.63 73.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.221 -0.9 . . . . 75.11 110.56 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.521 HD13 HG13 ' A' ' 7' ' ' VAL . 1.8 mp -78.97 -37.53 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.403 0.681 . . . . 74.41 109.817 173.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.738 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 32.9 t70 -59.7 -41.51 90.93 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.971 -1.013 . . . . 71.31 111.539 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.68 -40.83 98.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.68 -0.691 . . . . 73.4 111.051 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 HG21 HD12 ' A' ' 5' ' ' ILE . 60.0 mt -67.11 -32.08 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.088 0.555 . . . . 71.32 110.512 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.738 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 46.9 mtmt -60.04 -38.28 82.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.155 -0.475 . . . . 74.4 111.256 174.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.59 -48.41 12.73 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.184 0.594 . . . . 74.32 110.956 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -66.0 -44.61 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.054 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -125.7 71.63 67.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 114.902 -1.044 . . . . 72.51 109.17 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.0 17.41 1.55 Allowed 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.826 2.351 . . . . 64.55 112.869 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -103.39 0.72 31.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.297 1.039 . . . . 71.43 111.198 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.77 169.96 15.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.234 0.613 . . . . 74.4 111.259 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.559 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 6.1 pt-20 -114.9 137.42 51.99 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.342 1.057 . . . . 74.42 108.859 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -120.69 130.33 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.529 0.732 . . . . 72.23 109.378 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -127.03 125.44 41.41 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.056 0.542 . . . . 62.52 110.634 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HD2' HG23 ' A' ' 65' ' ' ILE . 37.1 mtmt -76.58 132.26 39.38 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.508 0.723 . . . . 75.44 110.235 171.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 89' ' ' GLN . 66.6 t -123.65 91.58 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.047 -1.094 . . . . 72.22 108.047 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.71 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 55.5 p -82.17 -41.18 20.71 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.356 0.598 . . . . 74.32 110.219 -178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.46 156.83 18.54 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.282 -0.872 . . . . 72.13 110.449 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.25 -39.38 86.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.447 1.099 . . . . 72.33 111.687 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.42 -30.12 66.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.944 0.898 . . . . 74.31 111.471 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.534 ' HB2' HG11 ' A' ' 84' ' ' VAL . 9.7 mm100 -71.98 -39.59 69.2 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.31 110.276 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.69 -37.18 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.518 0.727 . . . . 72.52 111.396 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -75.04 -29.53 60.79 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.65 0.78 . . . . 74.32 110.278 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.55 -46.48 54.25 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.349 0.659 . . . . 72.35 110.958 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 97' ' ' LEU . 32.1 pt -66.17 -23.79 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 116.417 -0.356 . . . . 63.24 111.525 176.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD13 HD21 ' A' ' 19' ' ' LEU . 86.7 mt -64.55 -44.93 89.22 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 117.852 0.296 . . . . 74.24 110.333 168.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -63.89 -30.06 71.18 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.746 0.418 . . . . 74.42 111.146 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 35.8 t70 -82.05 -32.54 30.35 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.502 -0.772 . . . . 74.21 111.145 -173.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 93' ' ' ILE . 5.8 mp -75.34 -29.33 59.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.348 0.659 . . . . 75.45 110.703 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 C-N-CA 122.714 0.406 . . . . 74.43 111.651 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 38.1 ttmt . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 108.547 -0.908 . . . . 74.32 108.547 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 79' ' ' LEU . 40.2 pt -98.86 143.09 13.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.549 -0.908 . . . . 74.0 108.549 167.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.433 HG22 ' CD1' ' A' ' 93' ' ' ILE . 34.9 mm -113.72 136.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.944 -1.502 . . . . 72.42 106.944 169.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.628 HG11 HD13 ' A' ' 69' ' ' ILE . 49.4 t -111.11 104.71 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.344 -1.354 . . . . 73.21 107.344 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.6 mt -104.85 125.27 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.201 -0.666 . . . . 71.4 109.201 -172.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 65' ' ' ILE . 3.0 mp -94.87 93.14 3.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 106.511 -1.663 . . . . 74.33 106.511 -176.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -86.14 103.76 15.09 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.089 -1.078 . . . . 65.11 108.089 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 p -131.65 123.44 27.81 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.768 -1.105 . . . . 71.02 108.846 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 77.17 -54.66 0.55 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.802 1.641 . . . . 74.24 112.836 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.88 157.48 17.73 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.994 0.917 . . . . 71.51 111.214 -173.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -107.13 -13.42 15.17 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.992 1.317 . . . . 54.2 112.945 -169.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -60.17 -30.95 69.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.851 -0.531 . . . . 74.11 111.021 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.67 -38.98 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.718 0.807 . . . . 75.11 110.665 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -69.33 -39.41 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.401 1.08 . . . . 73.22 110.331 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -68.47 -39.03 81.54 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.764 0.826 . . . . 72.02 111.316 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.512 HD21 HD11 ' A' ' 94' ' ' LEU . 96.2 mt -70.6 -38.53 73.99 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.489 0.716 . . . . 74.04 110.271 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.15 52.45 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.497 1.119 . . . . 75.22 112.47 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.74 -33.51 75.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.328 1.051 . . . . 73.34 111.125 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -75.99 -36.3 59.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.335 0.654 . . . . 75.34 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.49 HG23 HD23 ' A' ' 97' ' ' LEU . 2.0 mp -63.9 -55.04 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 122.774 0.43 . . . . 75.41 110.674 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HB3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -68.6 -18.87 64.41 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.197 0.443 . . . . 75.43 112.197 -176.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.93 -24.79 64.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.872 0.869 . . . . 73.34 111.711 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 75.1 mm-40 -69.91 1.28 4.63 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.802 0.841 . . . . 75.34 112.953 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.48 7.38 55.86 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.212 -0.755 . . . . 70.42 111.212 -172.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 8.9 mt -94.12 175.48 6.69 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.919 0.887 . . . . 74.23 109.682 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -122.73 153.08 39.94 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.984 -0.447 . . . . 74.32 110.276 161.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 24' ' ' LYS . 94.5 t -115.93 139.75 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.639 1.176 . . . . 75.14 109.19 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 91.5 m-85 -107.68 112.35 25.0 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 107.315 -1.365 . . . . 63.53 107.315 171.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.1 mm -87.23 121.68 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 108.515 -0.92 . . . . 64.33 108.515 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD12 HG13 ' A' ' 59' ' ' VAL . 35.3 mt -96.18 101.97 13.69 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.575 -0.898 . . . . 75.24 108.575 171.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD13 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.13 121.04 29.04 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.199 -1.364 . . . . 74.22 108.433 -173.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HE3' HD12 ' A' ' 65' ' ' ILE . 15.8 ptpt -127.91 119.6 25.9 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.733 0.813 . . . . 74.24 108.819 176.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.77 166.41 23.34 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 107.574 -1.269 . . . . 71.2 107.574 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -84.22 -9.5 58.47 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.07 0.548 . . . . 74.41 111.245 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -129.03 108.02 10.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.594 1.158 . . . . 70.32 109.678 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.1 -27.8 64.02 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.343 1.238 . . . . 74.02 114.343 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.86 -59.81 4.07 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.723 -0.473 . . . . 75.02 109.723 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -76.07 -23.74 55.04 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.307 -0.406 . . . . 75.53 110.959 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 34' ' ' LEU . 6.7 tt -53.91 -56.27 19.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.83 0.852 . . . . 71.31 109.446 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.87 -18.54 53.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.947 -1.024 . . . . 74.4 111.354 -173.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.79 -47.29 84.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.659 -0.867 . . . . 75.21 108.659 167.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 4.3 ttmp? -67.39 -31.95 72.53 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 123.97 0.794 . . . . 74.21 111.027 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 56' ' ' VAL . 35.9 mt -57.56 -48.23 83.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 109.919 -0.401 . . . . 70.5 109.919 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.05 -32.24 68.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.752 -0.658 . . . . 73.13 111.474 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 10.9 mmpt? -63.73 -53.78 45.66 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.274 0.359 . . . . 75.55 110.508 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HB2' HG23 ' A' ' 56' ' ' VAL . 96.0 mt -62.14 -38.93 90.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.986 0.915 . . . . 74.51 111.808 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -68.37 -30.74 69.75 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 122.497 -0.127 . . . . 75.34 111.136 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -70.06 -32.54 70.69 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.863 0.465 . . . . 75.3 111.091 172.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -72.89 -17.58 61.5 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.0 0.92 . . . . 74.54 111.015 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 66.31 0.76 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 111.247 -0.741 . . . . 75.43 111.247 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -141.19 167.59 21.82 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.329 1.052 . . . . 73.44 108.505 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -109.3 121.26 44.78 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.07 -1.826 . . . . 74.22 106.07 164.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 49' ' ' LEU . 19.9 t -126.47 143.84 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.91 -0.404 . . . . 74.44 109.91 -173.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.42 144.56 44.55 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.307 0.643 . . . . 73.42 109.73 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -79.39 129.0 34.05 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.457 -0.942 . . . . 75.4 108.457 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG13 HD12 ' A' ' 33' ' ' LEU . 8.3 m -125.52 157.27 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.612 0.765 . . . . 75.34 110.374 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.49 -73.5 0.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.038 -0.983 . . . . 74.22 110.225 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.77 163.51 12.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.897 -0.779 . . . . 74.2 108.897 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.44 -35.39 70.9 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.852 0.461 . . . . 71.34 110.998 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.13 -40.89 62.01 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.076 0.95 . . . . 73.44 111.45 165.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.42 -36.85 71.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.963 0.905 . . . . 71.34 110.249 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 HD13 ' A' ' 33' ' ' LEU . 63.4 mt -61.77 -51.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.896 0.878 . . . . 72.3 111.189 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.99 -36.08 83.24 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.195 0.598 . . . . 61.45 110.63 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -30.54 67.95 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.758 -1.11 . . . . 72.12 110.185 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.427 ' CZ3' HD12 ' A' ' 72' ' ' ILE . 5.7 t90 -65.34 -31.48 72.63 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.923 0.889 . . . . 75.32 110.657 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.628 HD13 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -83.23 -34.65 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.082 0.553 . . . . 61.13 109.623 176.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.672 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 31.5 t70 -57.0 -42.22 79.89 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.792 -0.64 . . . . 71.43 110.897 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.597 ' HZ3' ' HB3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -74.37 -27.46 60.67 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.574 -0.727 . . . . 65.33 111.81 177.686 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.427 HD12 ' CZ3' ' A' ' 68' ' ' TRP . 75.2 mt -59.94 -40.24 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 118.451 0.569 . . . . 75.3 109.722 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 50.7 mtmt -64.69 -17.26 63.93 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.129 -0.487 . . . . 75.31 111.502 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -92.23 -45.67 8.12 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.499 0.719 . . . . 73.01 111.464 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 21.2 mm-40 -73.37 -52.5 13.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.513 0.725 . . . . 73.53 111.502 -171.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -140.75 76.83 22.94 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.232 1.013 . . . . 75.13 110.375 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -91.85 15.18 1.68 Allowed 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.593 2.195 . . . . 74.35 113.907 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -92.28 12.5 22.24 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.999 0.519 . . . . 72.43 111.409 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -140.11 155.94 46.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.769 1.228 . . . . 75.2 109.662 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -78.31 145.38 35.38 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.829 0.452 . . . . 74.14 110.415 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -128.85 122.15 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.337 0.655 . . . . 75.04 109.766 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -127.26 137.92 52.97 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.787 0.835 . . . . 73.44 109.108 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -99.01 133.98 42.51 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.549 -0.537 . . . . 75.41 109.549 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 93' ' ' ILE . 46.2 t -125.29 96.01 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.475 1.11 . . . . 71.13 109.832 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.6 p -85.71 -37.56 19.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.185 0.594 . . . . 74.44 110.833 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.436 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 4.7 m-20 -97.17 151.8 19.45 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 61.33 110.687 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 20.3 tt0 -59.88 -39.43 85.27 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.912 0.758 . . . . 74.31 110.642 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -54.78 -34.39 62.6 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.663 1.185 . . . . 63.14 111.64 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 82.0 mt-30 -76.74 -30.61 56.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.159 -0.928 . . . . 75.32 110.33 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -72.76 -25.49 61.2 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.499 0.72 . . . . 74.11 111.685 173.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 20.5 mtpp -78.99 -34.43 44.13 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.582 0.753 . . . . 74.4 109.816 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -72.48 -39.89 67.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.72 0.808 . . . . 73.32 111.294 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.58 HD13 HG23 ' A' ' 84' ' ' VAL . 20.0 pt -64.47 -28.41 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 112.589 0.588 . . . . 74.01 112.589 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 19' ' ' LEU . 81.1 mt -52.64 -33.03 44.95 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.65 0.38 . . . . 74.34 110.962 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.95 -52.22 7.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.274 0.63 . . . . 71.34 110.939 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t70 -41.9 -45.34 3.69 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 125.657 1.583 . . . . 71.44 114.177 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.49 HD23 HG23 ' A' ' 23' ' ' ILE . 5.6 mp -55.88 -37.46 68.87 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.652 1.181 . . . . 74.24 111.61 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 114.206 -1.361 . . . . 63.01 110.595 -176.692 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 75.45 110.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 HG21 HD22 ' A' ' 79' ' ' LEU . 39.0 pt -136.52 156.95 36.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 125.066 1.346 . . . . 74.13 107.574 167.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.496 HG21 HD13 ' A' ' 93' ' ' ILE . 50.0 mm -120.6 137.36 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.039 -0.726 . . . . 75.5 109.039 176.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 HG13 HD12 ' A' ' 69' ' ' ILE . 60.2 t -115.95 114.8 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.143 -1.058 . . . . 65.3 108.143 176.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.56 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 37.6 mt -110.57 120.24 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 72.53 110.869 -171.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.06 95.81 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 106.761 -1.57 . . . . 74.15 106.761 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 45.4 t -89.71 107.6 19.19 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.356 0.662 . . . . 74.43 110.824 -171.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 p -140.71 150.82 43.94 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.445 1.098 . . . . 74.33 109.428 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 67.62 -76.3 0.05 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.784 1.633 . . . . 74.54 111.839 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -83.76 132.03 34.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.033 0.533 . . . . 61.11 110.717 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -76.94 -11.53 59.82 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.93 -0.577 . . . . 70.1 109.896 169.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 m -52.12 -35.09 47.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.697 1.199 . . . . 74.13 112.371 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.01 -35.79 80.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.017 0.527 . . . . 75.13 110.68 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 49' ' ' LEU . 40.5 mt-10 -68.6 -39.71 80.75 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.909 0.884 . . . . 54.21 110.028 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.14 -50.74 37.49 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.409 -0.814 . . . . 64.23 110.955 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -56.61 -39.74 74.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.336 1.054 . . . . 72.44 110.861 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.6 -32.87 8.81 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.292 1.437 . . . . 73.01 113.202 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -63.49 -49.54 73.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.091 0.956 . . . . 74.23 111.0 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 70.0 mmtt -70.21 -25.87 63.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.27 0.47 . . . . 63.51 112.27 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.501 HG23 HD22 ' A' ' 97' ' ' LEU . 2.1 mp -62.5 -61.92 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.212 -0.662 . . . . 75.12 109.212 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HB3' HG21 ' A' ' 30' ' ' VAL . 12.4 ptpt -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.134 0.79 . . . . 65.14 113.134 -173.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.33 -25.87 50.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.372 1.069 . . . . 74.0 111.653 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -68.96 -18.69 64.11 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.287 0.635 . . . . 72.11 112.181 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -16.1 6.78 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 122.928 0.299 . . . . 71.51 113.288 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -82.41 166.47 19.37 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.713 0.805 . . . . 74.22 111.237 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -97.73 148.89 22.89 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.975 0.91 . . . . 74.32 110.192 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 24' ' ' LYS . 86.0 t -121.16 132.04 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.055 0.942 . . . . 73.24 110.097 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.6 m-30 -104.67 129.45 52.84 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.772 -1.566 . . . . 72.3 106.772 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' HB ' HG21 ' A' ' 56' ' ' VAL . 30.0 mm -108.8 116.62 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 118.765 0.711 . . . . 74.23 109.503 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD13 HG12 ' A' ' 59' ' ' VAL . 39.0 mt -89.08 105.49 17.82 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.035 -0.728 . . . . 75.35 109.035 172.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -90.79 126.58 36.06 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.802 -1.09 . . . . 75.31 108.923 -174.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -131.56 120.13 22.47 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.75 0.82 . . . . 75.41 109.253 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.482 ' H ' HD11 ' A' ' 42' ' ' LEU . 16.3 t70 -134.28 157.38 46.47 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.226 -1.027 . . . . 74.42 108.226 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -82.81 -4.99 58.74 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.692 0.397 . . . . 73.41 111.607 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.07 109.56 12.53 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.421 -1.326 . . . . 75.04 107.421 169.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.53 -26.51 21.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.834 1.254 . . . . 74.41 114.283 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -41.38 34.24 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.703 0.401 . . . . 70.42 109.973 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -68.75 -32.47 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.221 -0.659 . . . . 74.43 109.221 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD11 ' H ' ' A' ' 36' ' ' ASP . 5.7 tt -60.08 -51.53 69.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.584 1.154 . . . . 73.03 109.329 168.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.79 -42.55 99.15 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.226 1.011 . . . . 74.44 111.96 -170.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 9.3 pt-20 -72.8 -38.76 67.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.884 -0.598 . . . . 64.31 110.0 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -56.53 -40.11 74.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.011 0.924 . . . . 70.44 110.817 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.49 HG21 ' HB ' ' A' ' 56' ' ' VAL . 78.4 mt -51.49 -52.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.219 0.95 . . . . 73.0 109.661 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -68.87 -27.01 65.42 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.631 0.772 . . . . 74.42 112.104 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 31.5 mmtp -66.12 -49.86 66.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.196 -0.668 . . . . 73.11 109.196 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.528 ' HB2' HG22 ' A' ' 56' ' ' VAL . 82.5 mt -70.25 -37.72 74.98 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.578 -1.192 . . . . 72.22 111.697 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 46.9 mtpt -71.02 -28.68 64.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.531 0.333 . . . . 74.21 111.158 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -63.55 -37.36 87.02 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.88 0.472 . . . . 73.24 110.724 171.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -76.29 -23.14 54.37 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.705 -0.68 . . . . 71.45 110.876 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 84.36 1.79 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.93 -0.868 . . . . 63.01 110.93 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 69.3 m-85 -150.44 139.56 21.13 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 125.054 1.342 . . . . 71.21 107.501 172.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -81.61 74.74 8.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.835 0.826 . . . . 73.1 110.636 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -87.54 130.76 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.221 -0.9 . . . . 74.21 110.472 -174.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -126.24 151.92 46.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.489 1.116 . . . . 72.41 109.825 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.41 126.0 36.35 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.66 0.784 . . . . 75.25 109.485 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 HD13 ' A' ' 33' ' ' LEU . 12.0 m -116.63 177.82 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.826 0.85 . . . . 64.04 109.817 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.32 -69.47 0.72 Allowed 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.152 0.981 . . . . 71.34 109.102 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -166.94 -169.83 1.4 Allowed 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.919 -0.771 . . . . 71.31 108.919 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.56 -23.98 59.71 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 113.339 0.866 . . . . 72.32 113.339 -166.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.08 -60.4 3.48 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.421 1.076 . . . . 74.34 110.975 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -24.83 58.6 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.788 -0.449 . . . . 73.3 109.788 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.76 -50.14 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.182 0.993 . . . . 74.43 110.964 173.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.97 -32.16 71.72 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.746 0.418 . . . . 72.43 111.281 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -81.43 -24.29 36.97 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.893 0.477 . . . . 74.21 110.966 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CZ3' HG13 ' A' ' 72' ' ' ILE . 60.9 t90 -68.09 -42.28 80.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.14 -0.689 . . . . 74.42 109.14 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.507 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.2 mp -73.85 -34.4 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 116.114 -0.493 . . . . 73.21 110.174 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.54 -45.62 73.45 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.267 0.627 . . . . 74.25 111.114 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 5.1 ptpp? -78.34 -33.44 49.13 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.997 -0.525 . . . . 75.41 111.739 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.418 HG13 ' CZ3' ' A' ' 68' ' ' TRP . 14.8 mm -63.48 -38.59 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-N 118.49 0.586 . . . . 72.43 111.245 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -68.97 -28.26 66.46 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.451 0.469 . . . . 75.0 110.737 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -82.1 -30.25 31.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.972 0.909 . . . . 74.41 111.296 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 9.2 mm-40 -87.92 -40.46 13.93 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.48 0.657 . . . . 71.35 109.788 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -125.24 78.08 67.39 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.574 1.15 . . . . 74.31 108.656 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -89.08 1.37 6.04 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.192 2.594 . . . . 74.22 115.012 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -89.71 13.05 15.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.111 0.782 . . . . 75.23 113.111 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -149.65 164.72 34.4 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.521 0.728 . . . . 74.51 111.322 -175.647 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.23 152.17 34.83 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.934 -0.765 . . . . 71.32 108.934 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.84 123.21 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.479 -0.934 . . . . 74.24 108.479 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -118.5 132.18 56.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.98 0.912 . . . . 70.4 109.718 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.507 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.9 mtmm -91.72 119.91 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.993 -0.743 . . . . 74.22 108.993 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 55.6 t -106.16 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.466 -0.938 . . . . 64.44 108.466 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -88.99 -18.94 26.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.617 -0.719 . . . . 64.4 110.535 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.19 152.08 35.55 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.518 1.127 . . . . 74.45 110.144 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.43 -34.81 72.96 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.859 0.864 . . . . 73.14 110.79 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.53 -40.76 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.719 1.208 . . . . 75.45 111.71 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.45 -41.79 98.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.572 0.545 . . . . 72.33 109.862 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.57 68.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.794 0.838 . . . . 63.35 112.441 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.58 -35.74 22.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.285 0.634 . . . . 75.32 111.927 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -70.4 -42.27 71.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.433 0.293 . . . . 73.11 111.128 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.548 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 18.6 pt -56.66 -29.14 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 112.945 0.72 . . . . 73.42 112.945 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 70.4 mt -48.15 -51.37 25.21 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.33 0.394 . . . . 72.12 110.337 170.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.15 -34.01 63.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.686 0.794 . . . . 64.44 111.117 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.6 t70 -61.98 -31.45 71.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.195 0.998 . . . . 74.12 110.377 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.501 HD22 HG23 ' A' ' 23' ' ' ILE . 10.3 mp -78.74 -34.19 45.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.961 0.904 . . . . 71.2 111.323 175.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 1.6 mmmp? . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 120.594 0.235 . . . . 74.13 111.434 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 79' ' ' LEU . 18.1 ptpt . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 109.507 -0.553 . . . . 74.44 109.507 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.51 HG21 HD22 ' A' ' 79' ' ' LEU . 31.7 pt -125.48 145.37 32.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.739 0.78 . . . . 75.24 109.127 170.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.5 140.09 37.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.414 -1.328 . . . . 74.12 107.414 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.617 HG11 HD11 ' A' ' 69' ' ' ILE . 62.0 t -121.34 115.04 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.288 -1.004 . . . . 74.32 108.288 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.0 mt -106.96 129.65 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.044 -0.724 . . . . 74.05 109.044 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.8 mp -95.27 95.3 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 106.287 -1.746 . . . . 74.35 106.287 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -105.26 136.26 45.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.929 0.491 . . . . 72.24 110.943 -171.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -139.23 94.0 2.75 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.089 -0.96 . . . . 74.21 110.47 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 77.41 -51.01 0.54 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.702 1.601 . . . . 73.2 113.843 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' HB2' HD11 ' A' ' 16' ' ' LEU . 21.9 m-20 -53.35 115.9 2.15 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.338 1.055 . . . . 63.44 112.384 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -74.64 -17.66 60.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.724 0.809 . . . . 65.23 112.958 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -59.56 -38.73 81.89 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.695 0.798 . . . . 72.13 111.665 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 13' ' ' ASP . 6.3 mp -76.54 -24.06 53.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.458 0.303 . . . . 74.43 110.358 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.66 -47.75 44.89 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.991 0.917 . . . . 71.12 110.788 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.47 -39.09 71.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.061 -0.518 . . . . 63.11 110.987 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.54 -35.0 79.55 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.437 0.461 . . . . 74.41 110.688 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.76 68.47 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.473 0.709 . . . . 75.04 111.621 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -70.95 -33.61 70.65 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.453 -0.794 . . . . 75.12 110.958 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.03 -38.16 66.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.565 0.746 . . . . 52.21 111.338 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.91 -41.38 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.696 0.399 . . . . 75.13 110.546 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HB3' HG22 ' A' ' 30' ' ' VAL . 12.6 ptpt -73.73 -19.96 60.65 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 121.724 -0.61 . . . . 74.21 112.185 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.14 -20.19 65.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 74.01 111.224 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' HG3' HD23 ' A' ' 97' ' ' LEU . 20.3 mm-40 -69.14 -15.65 63.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.528 0.731 . . . . 74.25 111.223 174.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.06 20.64 10.99 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 116.626 -0.261 . . . . 73.45 113.056 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD23 HD22 ' A' ' 97' ' ' LEU . 4.1 pp -125.89 170.1 11.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.397 0.679 . . . . 63.12 109.926 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -94.35 147.98 22.68 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.128 0.418 . . . . 75.03 112.128 -173.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' HB3' ' A' ' 24' ' ' LYS . 40.7 t -125.53 133.47 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.892 0.877 . . . . 73.4 109.909 177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 76.2 m-85 -111.71 133.97 53.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.273 -1.38 . . . . 75.3 107.273 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -114.21 123.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 109.118 -0.697 . . . . 75.33 109.118 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 65' ' ' ILE . 47.8 mt -104.73 112.66 25.84 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.978 -0.749 . . . . 74.44 108.978 176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -97.6 128.18 44.12 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.191 0.996 . . . . 73.22 109.711 -175.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -140.27 120.69 14.05 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.57 0.748 . . . . 74.05 109.026 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t70 -132.89 171.36 14.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.383 -0.969 . . . . 73.13 108.383 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -74.02 -30.99 62.73 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.263 0.625 . . . . 64.41 111.414 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -118.62 106.48 12.66 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.672 -0.862 . . . . 72.22 108.672 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 -18.63 26.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.071 1.508 . . . . 75.23 115.071 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -74.75 -57.08 4.14 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.773 0.715 . . . . 71.2 110.782 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -66.46 -28.58 68.7 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.771 0.428 . . . . 75.23 110.063 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 26.9 tp -55.94 -57.58 11.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.112 1.365 . . . . 75.01 111.611 170.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' HD11 ' A' ' 46' ' ' ILE . 47.7 mt-10 -80.47 -13.78 58.83 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.06 -0.518 . . . . 71.34 112.019 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.6 mm-40 -69.47 -45.47 68.94 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.224 -0.658 . . . . 74.21 109.224 167.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.11 -36.37 77.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.878 0.871 . . . . 75.22 110.354 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.508 HD11 ' HG2' ' A' ' 43' ' ' GLU . 46.5 mt -61.19 -43.76 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.562 0.745 . . . . 74.52 110.439 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 25.1 mm-40 -67.57 -35.86 79.81 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.176 0.297 . . . . 64.55 110.97 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 41.7 mmtm -65.3 -42.99 92.52 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.925 0.49 . . . . 74.44 110.044 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.0 -38.14 69.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.876 -1.056 . . . . 74.41 112.085 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -67.64 -33.82 75.72 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.144 -0.347 . . . . 72.54 110.448 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -67.41 -33.41 75.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.118 0.567 . . . . 74.22 111.671 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.79 -10.62 60.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.244 0.617 . . . . 74.24 111.082 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.26 65.0 1.22 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 111.725 -0.55 . . . . 60.3 111.725 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.69 138.25 32.31 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.725 -0.843 . . . . 71.11 108.725 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.73 97.51 5.19 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.915 -1.143 . . . . 63.2 107.915 168.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.487 ' HB ' HG21 ' A' ' 46' ' ' ILE . 14.3 t -107.47 136.18 43.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.221 -0.9 . . . . 74.14 108.958 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -128.72 144.64 51.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.945 0.898 . . . . 73.24 108.601 -176.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -86.26 129.81 34.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.421 -1.325 . . . . 74.22 107.421 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -119.62 157.67 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.421 0.688 . . . . 75.05 109.834 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -78.99 -45.63 19.85 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.943 -1.026 . . . . 75.01 110.399 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.5 176.23 9.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.598 -1.183 . . . . 74.31 108.796 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.9 -24.42 60.84 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.114 0.415 . . . . 71.24 110.208 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.16 -52.5 34.83 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.523 1.129 . . . . 71.34 110.401 163.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.12 -34.24 77.62 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.799 -1.091 . . . . 73.14 110.515 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 33' ' ' LEU . 69.1 mt -64.54 -49.34 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.229 1.012 . . . . 73.4 112.506 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.91 -34.18 76.89 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 121.13 0.49 . . . . 71.5 111.427 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -77.35 -29.53 53.43 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.295 -0.866 . . . . 63.32 110.914 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.434 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.9 t90 -64.7 -45.01 88.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.046 0.938 . . . . 75.51 108.919 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.617 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -72.54 -32.39 41.4 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 72.05 110.094 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.71 -50.71 67.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.772 0.829 . . . . 73.43 110.629 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -74.35 -28.8 61.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.837 -0.619 . . . . 70.22 111.519 -176.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -64.91 -41.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.582 0.353 . . . . 75.43 110.482 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -67.36 -31.1 71.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.307 0.643 . . . . 65.34 111.017 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -74.45 -41.49 60.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.047 0.939 . . . . 72.42 110.469 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.7 mm-40 -70.92 -42.67 69.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.393 0.677 . . . . 65.1 110.18 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.34 88.51 43.92 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.148 0.979 . . . . 74.24 109.858 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -86.06 -2.83 8.81 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 122.846 2.364 . . . . 74.12 113.241 173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -72.73 -0.02 12.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.51 0.559 . . . . 74.24 112.51 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.51 HD22 HG21 ' A' ' 5' ' ' ILE . 1.2 pp -142.16 165.64 26.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.205 1.002 . . . . 75.43 110.79 -175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.68 143.55 27.11 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 108.436 -0.95 . . . . 71.13 108.436 168.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.58 111.74 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.423 -0.954 . . . . 73.33 108.423 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -110.65 114.27 27.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.982 0.913 . . . . 75.32 109.815 -170.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.0 mtmm -76.79 120.55 22.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.27 -0.641 . . . . 75.12 109.27 172.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 89' ' ' GLN . 63.1 t -113.9 90.93 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.711 1.204 . . . . 74.13 108.809 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 45.2 p -84.73 -37.5 20.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.004 -0.544 . . . . 74.11 110.435 -177.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.568 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 5.1 m-20 -98.18 146.97 25.07 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.692 0.797 . . . . 71.13 110.378 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -36.46 70.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.9 1.28 . . . . 74.31 110.703 168.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 4.2 m-20 -52.35 -44.54 65.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.111 -0.949 . . . . 61.53 110.961 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.568 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 72.8 mt-30 -65.53 -36.2 83.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.609 0.764 . . . . 74.02 111.111 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.94 -29.92 71.05 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.784 0.677 . . . . 72.41 111.367 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.406 ' HA ' HD13 ' A' ' 94' ' ' LEU . 96.3 mttt -82.55 -32.44 28.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.927 -0.579 . . . . 73.43 112.189 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.7 mm100 -68.0 -43.68 78.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.928 0.331 . . . . 74.54 110.889 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.488 ' O ' HD13 ' A' ' 97' ' ' LEU . 16.5 pt -65.13 -28.33 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.544 0.572 . . . . 74.45 112.544 177.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 87.4 mt -53.82 -43.96 69.83 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.794 -0.447 . . . . 73.02 109.794 169.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -79.05 -26.96 43.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.996 0.918 . . . . 75.44 111.561 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.47 -42.8 95.69 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.56 0.744 . . . . 73.45 109.975 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.542 HD22 HD23 ' A' ' 28' ' ' LEU . 6.7 mp -70.21 -25.05 63.23 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.387 -1.279 . . . . 73.42 110.708 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 45.1 mmtm . . . . . 0 N--CA 1.478 0.94 0 C-N-CA 123.192 0.597 . . . . 73.41 110.719 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HG3' HD11 ' A' ' 28' ' ' LEU . 15.1 ptpt . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 107.968 -1.123 . . . . 74.05 107.968 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 79' ' ' LEU . 38.9 pt -105.5 142.91 17.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 109.326 -0.62 . . . . 73.31 109.326 175.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HB ' HG21 ' A' ' 30' ' ' VAL . 45.2 mm -116.0 116.37 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.067 -1.086 . . . . 75.43 108.067 173.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.479 HG13 HD11 ' A' ' 69' ' ' ILE . 41.4 t -102.06 109.84 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.472 -0.936 . . . . 75.2 108.472 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.616 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 18.6 mt -102.66 119.99 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.451 0.7 . . . . 73.35 111.164 -172.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.495 HG13 HD12 ' A' ' 65' ' ' ILE . 2.7 mp -87.53 89.72 3.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 N-CA-C 106.265 -1.754 . . . . 65.04 106.265 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.492 ' HB3' HD22 ' A' ' 34' ' ' LEU . 39.8 t -88.78 102.8 15.37 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.536 -0.542 . . . . 74.25 109.536 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -94.89 73.53 3.53 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.234 -0.894 . . . . 75.34 109.687 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 74.89 -33.9 0.25 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 125.304 1.442 . . . . 72.25 114.14 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' HB3' HD11 ' A' ' 16' ' ' LEU . 14.8 t70 -75.87 136.19 40.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.151 0.58 . . . . 74.24 111.799 -166.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -84.08 -20.56 32.4 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.187 0.81 . . . . 74.54 113.187 -168.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -59.21 -34.73 72.52 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 122.158 -0.339 . . . . 73.33 111.024 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 13' ' ' ASP . 6.0 mp -70.85 -27.99 64.25 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.169 0.588 . . . . 73.51 110.71 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.44 -44.97 33.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.328 1.051 . . . . 71.03 111.325 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.9 -34.18 62.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.025 -0.534 . . . . 75.22 111.175 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD23 HD11 ' A' ' 94' ' ' LEU . 69.6 mt -66.86 -37.58 84.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.998 0.519 . . . . 74.05 109.917 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 8' ' ' ILE . . . -54.99 -39.27 68.85 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.422 0.689 . . . . 72.22 111.699 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -67.97 -38.48 82.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.339 -0.846 . . . . 75.21 111.185 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.14 -47.02 86.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.685 0.615 . . . . 73.21 109.834 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 HG23 HG13 ' A' ' 6' ' ' ILE . 1.9 mp -68.94 -54.05 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 114.824 -1.08 . . . . 74.24 111.673 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.3 ptpt -70.71 -21.89 62.51 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.983 0.735 . . . . 75.23 112.983 -172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.48 -26.7 65.47 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.748 0.655 . . . . 62.32 111.261 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.11 -12.72 61.33 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.68 0.792 . . . . 74.42 112.478 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.24 -0.69 11.54 Favored Glycine 0 N--CA 1.474 1.192 0 N-CA-C 114.375 0.51 . . . . 53.52 114.375 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD11 ' HG3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -100.41 158.51 15.84 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.618 0.709 . . . . 75.35 110.306 179.2 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -84.79 143.02 29.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.885 0.474 . . . . 55.22 111.49 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 HG21 ' HB ' ' A' ' 6' ' ' ILE . 53.5 t -122.44 127.47 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 64.0 109.455 171.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.06 113.13 26.45 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.649 -0.871 . . . . 72.13 108.649 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HB ' HG22 ' A' ' 56' ' ' VAL . 35.0 mm -89.55 107.92 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.239 -0.652 . . . . 73.52 109.239 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 65' ' ' ILE . 48.5 mt -89.61 104.15 16.73 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.461 -0.94 . . . . 71.14 108.461 172.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.515 HD12 HD11 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -85.69 124.39 32.16 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.84 -0.8 . . . . 62.0 108.84 -174.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.56 123.43 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.704 -0.85 . . . . 74.45 108.704 168.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.41 166.81 21.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.736 0.815 . . . . 73.15 109.056 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -74.62 -43.72 54.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.866 0.466 . . . . 74.35 110.862 177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.03 152.2 20.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.68 -0.489 . . . . 71.24 109.68 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.565 ' HG3' ' HG2' ' A' ' 40' ' ' LYS . 10.3 pt-20 -75.63 -45.94 34.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.828 0.851 . . . . 65.33 110.875 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.565 ' HG2' ' HG3' ' A' ' 39' ' ' GLU . 32.4 mmtp -83.19 -36.14 24.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.029 0.532 . . . . 74.1 110.49 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -69.88 -30.44 67.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.901 0.48 . . . . 74.13 110.482 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 34' ' ' LEU . 57.9 tp -56.39 -55.66 30.78 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.88 0.872 . . . . 71.41 110.728 167.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 7.8 tp10 -63.64 -42.32 98.14 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 124.114 0.884 . . . . 75.52 112.402 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.74 -34.02 76.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.019 0.528 . . . . 63.42 111.114 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -65.06 -39.12 92.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.506 0.723 . . . . 73.11 110.21 175.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' HG12 ' A' ' 56' ' ' VAL . 93.3 mt -61.49 -45.72 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.112 0.965 . . . . 74.12 110.165 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -61.17 -45.47 94.49 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.277 0.631 . . . . 72.13 110.98 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 7.5 mmpt? -64.28 -47.64 78.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.361 -0.836 . . . . 72.15 111.667 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.515 ' HB2' HG23 ' A' ' 56' ' ' VAL . 87.5 mt -70.06 -34.98 73.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.859 0.464 . . . . 61.22 111.151 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -65.4 -37.66 87.63 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.019 0.372 . . . . 71.45 110.819 173.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -62.04 -33.44 74.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.606 0.762 . . . . 71.42 111.584 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 20.3 mt-30 -75.4 -9.76 58.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.929 0.492 . . . . 74.2 111.349 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.84 21.27 11.33 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 123.315 0.483 . . . . 64.3 113.162 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.36 142.22 28.75 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.456 0.703 . . . . 74.13 110.576 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.91 89.05 6.34 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.273 -1.01 . . . . 64.32 108.273 171.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 49' ' ' LEU . 11.9 t -98.55 126.13 51.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 115.289 -0.869 . . . . 75.13 109.58 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 28.3 mmm180 -120.4 145.03 47.58 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.244 1.017 . . . . 74.4 109.083 -175.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.553 ' HB2' ' HZ3' ' A' ' 58' ' ' LYS . 4.6 ttmp? -91.63 120.34 32.32 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.501 -0.926 . . . . 74.04 108.501 178.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 65' ' ' ILE . 9.5 m -118.64 146.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.17 0.988 . . . . 75.45 109.148 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.46 -41.0 80.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.949 0.5 . . . . 72.24 111.114 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -171.33 173.0 5.01 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.402 0.681 . . . . 45.22 110.328 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.35 -23.76 60.25 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.764 0.826 . . . . 73.2 111.692 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.37 -39.12 75.37 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.605 0.362 . . . . 75.3 111.172 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.6 -36.14 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.405 0.682 . . . . 72.22 111.089 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.495 HD12 HG13 ' A' ' 9' ' ' ILE . 67.6 mt -55.86 -34.33 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 115.23 -0.895 . . . . 74.12 111.587 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.74 -42.86 79.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.965 0.506 . . . . 74.53 111.87 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -27.32 55.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.805 0.842 . . . . 75.44 110.269 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.433 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 30.4 t90 -72.36 -32.82 66.78 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.466 0.706 . . . . 74.42 110.186 -178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 HD11 HG13 ' A' ' 7' ' ' VAL . 1.8 mp -81.49 -38.45 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 109.685 -0.487 . . . . 73.33 109.685 172.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.589 ' HA ' ' HD3' ' A' ' 73' ' ' LYS . 26.2 t70 -56.06 -39.52 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.807 0.843 . . . . 73.25 111.82 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -64.55 -39.91 94.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.936 -0.574 . . . . 72.13 111.681 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -75.59 -30.51 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 122.651 0.38 . . . . 74.24 110.528 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 70' ' ' ASP . 56.6 mtpt -60.1 -34.58 73.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.462 0.649 . . . . 74.55 110.0 170.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 25.8 ttmt -82.67 -37.19 25.19 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.065 1.346 . . . . 74.5 111.245 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 32.9 mm-40 -78.44 -52.16 8.97 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.048 0.539 . . . . 74.52 110.401 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -126.73 90.03 50.68 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.245 1.018 . . . . 74.13 109.146 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.13 6.98 5.48 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.58 2.187 . . . . 71.53 112.941 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.78 11.77 36.1 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.134 0.974 . . . . 74.04 112.474 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.452 HD22 HG21 ' A' ' 5' ' ' ILE . 1.4 pp -130.77 154.3 48.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.253 0.621 . . . . 72.21 110.959 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 35.4 mm-40 -80.11 140.01 36.62 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.198 -0.667 . . . . 72.23 109.198 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG11 HG22 ' A' ' 69' ' ' ILE . 13.9 t -127.18 116.02 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.722 -0.844 . . . . 73.24 108.722 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' HG23 ' A' ' 93' ' ' ILE . 25.0 tpp180 -115.18 125.1 53.01 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.92 -0.77 . . . . 75.42 108.92 175.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.7 122.51 34.32 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.812 -0.81 . . . . 72.23 108.812 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 56.1 t -96.96 88.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 107.769 -1.197 . . . . 75.03 107.769 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 p -78.55 -27.26 45.86 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.452 -0.795 . . . . 74.01 110.142 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.13 160.18 39.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 55.43 109.759 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.27 -39.14 66.61 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.401 1.08 . . . . 75.23 112.576 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 21.9 t70 -56.18 -38.22 70.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.045 0.938 . . . . 73.33 111.555 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -68.73 -33.23 73.57 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.251 0.62 . . . . 74.34 111.211 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -69.04 -22.64 64.03 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 63.12 111.774 173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -84.74 -27.7 26.77 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.603 0.761 . . . . 70.42 111.291 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.4 mm-40 -74.57 -37.96 62.81 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.815 0.446 . . . . 74.54 111.803 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 24.3 pt -60.31 -27.42 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.452 0.908 . . . . 73.24 113.452 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 HD11 HD23 ' A' ' 19' ' ' LEU . 92.3 mt -54.03 -39.83 66.52 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.733 0.413 . . . . 72.43 110.707 166.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 98' ' ' LYS . 49.7 mm-40 -82.1 -26.0 33.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.423 0.689 . . . . 75.14 112.705 175.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -62.41 -40.28 96.01 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 122.855 0.462 . . . . 71.2 110.239 178.363 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 93' ' ' ILE . 9.1 mp -69.24 -39.37 78.54 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.545 -0.752 . . . . 73.55 111.966 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HG3' ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.9 0.333 . . . . 75.02 111.9 -173.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 15.5 ttpp . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 109.584 -0.524 . . . . 72.32 109.584 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.2 pt -121.72 149.54 24.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 123.931 0.892 . . . . 74.53 110.296 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.91 120.31 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.231 -1.026 . . . . 74.04 108.231 173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 69' ' ' ILE . 90.0 t -101.28 116.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.653 -0.869 . . . . 62.41 108.653 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.497 HD13 HD13 ' A' ' 23' ' ' ILE . 60.7 mt -109.6 129.39 64.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 123.821 0.848 . . . . 75.35 109.227 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 1.9 mp -87.46 89.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 106.466 -1.679 . . . . 74.42 106.466 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 t -83.19 104.07 13.09 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 114.478 -1.237 . . . . 74.12 109.387 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -97.64 -159.58 0.75 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.537 -1.21 . . . . 72.14 109.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.39 -24.09 67.19 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.657 0.783 . . . . 62.42 111.628 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.75 109.31 4.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.781 0.432 . . . . 71.13 109.847 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.9 m -78.39 -7.24 57.11 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.338 0.655 . . . . 72.11 112.246 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -55.13 -33.24 62.71 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.454 0.645 . . . . 73.03 111.221 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.11 -28.02 66.11 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.373 1.069 . . . . 75.04 110.92 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.68 -40.22 16.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.825 1.25 . . . . 73.35 111.315 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.22 -36.25 61.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.728 0.411 . . . . 72.42 110.84 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.606 HD22 HD13 ' A' ' 94' ' ' LEU . 87.8 mt -75.57 -23.66 56.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.789 0.436 . . . . 75.35 110.888 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.83 84.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.525 0.73 . . . . 73.35 110.759 172.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -67.76 -27.65 66.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.808 -1.087 . . . . 74.13 111.082 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.71 -42.1 61.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.028 0.531 . . . . 74.42 110.802 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD13 HD13 ' A' ' 8' ' ' ILE . 80.2 mt -64.71 -52.29 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.153 0.981 . . . . 74.44 111.845 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -56.23 -24.09 40.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 123.732 0.645 . . . . 62.2 112.468 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.34 -25.0 66.61 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 71.23 112.402 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.56 -14.17 62.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.063 0.545 . . . . 70.4 111.035 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.38 25.88 6.17 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 116.138 -0.483 . . . . 73.24 113.097 171.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' HZ1' ' A' ' 4' ' ' LYS . 2.4 pt? -123.65 151.89 42.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.089 0.555 . . . . 75.13 110.674 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -73.98 132.2 42.17 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.268 -0.878 . . . . 74.33 110.178 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.73 131.53 64.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 C-N-CA 123.465 0.706 . . . . 75.34 109.379 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 7' ' ' VAL . 50.3 m-85 -103.09 132.26 49.48 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 124.069 0.948 . . . . 71.03 108.523 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.492 ' HB ' HG23 ' A' ' 56' ' ' VAL . 41.1 mm -114.07 109.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.389 -0.967 . . . . 74.43 108.389 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 HG13 ' A' ' 59' ' ' VAL . 19.2 mt -86.45 102.97 14.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.2 -0.667 . . . . 75.52 109.2 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -84.25 120.49 26.28 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.095 -1.076 . . . . 74.21 108.095 -177.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.544 ' HD2' HD12 ' A' ' 65' ' ' ILE . 14.2 ptmm? -138.98 117.63 12.2 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.193 -1.41 . . . . 74.4 107.193 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' H ' HD12 ' A' ' 42' ' ' LEU . 27.5 t70 -134.14 164.32 27.61 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.735 0.814 . . . . 75.53 109.371 -172.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -52.1 -55.88 17.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.236 1.414 . . . . 73.44 111.421 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -100.5 153.15 19.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.91 0.884 . . . . 73.25 109.482 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.58 -44.34 28.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.826 0.851 . . . . 75.12 110.483 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 7.9 mtpm? -67.42 -45.63 75.54 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.09 -0.505 . . . . 71.23 109.888 -177.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -53.53 -45.67 69.87 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.023 0.929 . . . . 73.15 111.229 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' HG ' HD12 ' A' ' 34' ' ' LEU . 7.5 tt -56.73 -58.12 9.48 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.491 1.119 . . . . 74.51 110.399 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.983 0.913 . . . . 74.13 112.443 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 55.5 mt-10 -73.68 -41.79 62.17 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.88 0.472 . . . . 74.13 110.138 175.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.72 -31.44 72.37 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.908 0.755 . . . . 74.1 110.368 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.53 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 mt -53.82 -55.7 12.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.954 0.784 . . . . 71.34 109.654 170.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.11 -34.87 79.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.376 0.671 . . . . 71.01 112.226 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.14 -36.82 69.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.6 . . . . 75.43 111.304 -176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HB2' HG21 ' A' ' 56' ' ' VAL . 88.0 mt -77.7 -34.98 52.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.465 0.306 . . . . 63.21 111.018 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 49.1 mtpt -62.95 -30.08 71.3 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.402 0.281 . . . . 74.21 111.398 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 t -58.97 -31.6 68.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.383 0.673 . . . . 71.44 111.568 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -91.03 13.22 17.37 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.447 0.699 . . . . 75.25 111.902 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.11 49.28 8.68 Favored Glycine 0 C--N 1.348 1.206 0 N-CA-C 113.333 0.093 . . . . 71.42 113.333 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.28 139.12 53.19 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.662 -0.866 . . . . 63.12 108.662 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -87.22 88.81 7.79 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.895 -1.15 . . . . 72.12 107.895 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 49' ' ' LEU . 17.0 t -89.51 125.27 42.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 113.993 -1.458 . . . . 74.31 109.311 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.36 149.74 50.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.107 0.963 . . . . 71.23 109.472 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE2' HD22 ' A' ' 42' ' ' LEU . 38.7 ttmt -87.99 134.99 33.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.289 1.035 . . . . 73.31 109.944 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG13 HD22 ' A' ' 33' ' ' LEU . 5.6 m -133.03 165.31 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.915 0.886 . . . . 73.32 108.846 170.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -85.54 -84.43 0.16 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.035 -0.984 . . . . 75.5 110.36 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.62 -177.5 4.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.699 0.8 . . . . 71.42 110.271 -174.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.98 -33.98 72.68 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.501 1.12 . . . . 64.13 112.634 -171.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -64.8 -38.55 91.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.331 0.652 . . . . 75.45 110.438 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.18 -38.78 75.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.199 0.6 . . . . 71.41 110.279 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.544 HD12 ' HD2' ' A' ' 35' ' ' LYS . 90.5 mt -63.78 -56.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.22 1.408 . . . . 73.14 112.408 -175.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.16 -34.63 76.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.23 0.538 . . . . 72.34 110.221 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -69.82 -35.75 75.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.792 -1.095 . . . . 74.53 110.457 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -65.78 -33.88 76.89 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.688 1.195 . . . . 75.02 111.429 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.661 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -74.9 -44.98 44.56 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 C-N-CA 123.269 0.628 . . . . 74.01 109.752 176.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.39 -45.01 89.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.712 -1.131 . . . . 70.25 111.56 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -36.21 80.51 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.434 0.693 . . . . 71.51 112.215 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.94 -41.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.667 0.387 . . . . 74.54 110.309 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -65.54 -20.39 66.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.523 0.514 . . . . 74.52 112.305 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -86.23 -43.49 12.93 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.943 0.497 . . . . 75.5 110.359 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.46 -35.87 80.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.833 0.853 . . . . 63.44 110.853 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -143.52 80.62 12.88 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.17 1.388 . . . . 72.1 108.738 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.65 -3.77 13.27 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.726 2.284 . . . . 74.52 113.639 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.61 -21.95 61.77 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.769 0.655 . . . . 75.24 112.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -117.33 145.18 44.2 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.513 0.931 . . . . 74.33 113.513 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -83.89 133.73 34.71 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.52 -1.218 . . . . 64.43 108.975 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.27 132.83 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.146 0.578 . . . . 73.52 109.496 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -126.57 129.21 48.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.855 0.862 . . . . 72.31 108.964 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.661 ' HG2' HG12 ' A' ' 69' ' ' ILE . 32.3 mtmm -85.15 138.74 32.19 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.16 0.584 . . . . 73.25 109.487 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 90' ' ' ALA . 86.6 t -119.79 90.32 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.316 -0.994 . . . . 71.24 108.316 169.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.475 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 p -88.35 -10.48 49.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.912 0.485 . . . . 73.43 111.356 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -142.75 149.39 38.67 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.783 0.833 . . . . 72.12 110.494 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.27 -45.71 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.6 1.56 . . . . 61.21 113.343 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.94 -33.36 66.93 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.783 0.833 . . . . 65.21 111.673 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.1 -40.65 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.319 0.648 . . . . 72.1 110.793 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.54 ' HB3' HG12 ' A' ' 84' ' ' VAL . . . -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.412 0.685 . . . . 71.32 111.289 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.37 -35.42 61.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.522 0.729 . . . . 75.41 111.041 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -47.77 43.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.07 0.548 . . . . 75.41 109.612 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.53 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 30.8 pt -61.8 -23.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.124 0.787 . . . . 72.52 113.124 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.606 HD13 HD22 ' A' ' 19' ' ' LEU . 88.7 mt -53.79 -38.73 64.8 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.827 0.285 . . . . 73.55 111.549 170.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -83.32 -32.99 26.0 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.629 1.172 . . . . 75.25 110.617 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.9 t70 -66.21 -45.28 81.28 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.415 -1.266 . . . . 72.51 111.899 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.9 -20.09 66.26 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.699 0.8 . . . . 75.11 111.815 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.493 0.664 . . . . 74.14 110.196 176.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.883 -0.414 . . . . 71.05 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.67 102.08 1.85 Allowed Glycine 0 C--N 1.338 0.685 0 N-CA-C 110.337 -1.105 . . . . 65.14 110.337 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -59.43 116.05 3.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.149 0.579 . . . . 74.21 109.999 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.0 ttpt -143.79 152.78 41.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.523 -1.288 . . . . 73.42 107.523 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 29' ' ' GLU . 31.0 pt -130.43 148.26 33.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 108.698 -0.853 . . . . 73.31 108.698 169.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.44 HG23 HD13 ' A' ' 93' ' ' ILE . 40.4 mm -112.19 141.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.373 -1.343 . . . . 72.31 107.373 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.513 HG13 HD11 ' A' ' 69' ' ' ILE . 93.8 t -115.5 114.18 45.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.468 -1.308 . . . . 74.33 107.468 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.491 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 46.2 mt -109.07 126.22 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 N-CA-C 108.458 -0.942 . . . . 70.21 108.458 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -100.8 103.31 14.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.889 -1.523 . . . . 73.35 106.889 -173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -72.95 131.06 41.71 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.726 -0.842 . . . . 64.23 108.726 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -138.37 79.69 1.75 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.673 -0.862 . . . . 74.45 108.673 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 76.3 -62.39 0.42 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.045 1.738 . . . . 71.55 112.274 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.62 159.45 24.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.631 0.772 . . . . 71.52 111.36 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -100.27 -11.93 19.94 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.825 0.85 . . . . 74.12 113.177 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -58.56 -27.57 64.71 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.961 0.726 . . . . 72.02 112.961 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.9 -46.94 73.33 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.35 0.66 . . . . 74.35 110.226 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' HD23 ' A' ' 49' ' ' LEU . 3.3 pm0 -86.16 -20.7 28.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.965 0.906 . . . . 74.45 112.863 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 11.6 pt-20 -73.86 -35.6 64.76 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.73 0.696 . . . . 75.32 109.342 172.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 94' ' ' LEU . 63.7 mt -63.46 -33.99 76.78 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.525 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB2' HG11 ' A' ' 30' ' ' VAL . . . -53.06 -32.67 48.25 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.03 0.932 . . . . 74.22 112.739 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -39.69 92.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.524 0.73 . . . . 75.54 110.853 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.8 -35.99 72.79 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.758 0.823 . . . . 73.52 110.485 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.523 HG12 HD13 ' A' ' 93' ' ' ILE . 1.8 mp -63.2 -55.15 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.574 0.75 . . . . 73.22 111.203 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HB3' HG22 ' A' ' 30' ' ' VAL . 14.6 ptpt -66.87 -23.56 66.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 111.93 0.345 . . . . 74.52 111.93 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.24 -27.52 68.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.907 0.883 . . . . 61.54 111.104 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.19 -5.53 36.35 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.566 0.747 . . . . 74.53 112.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 27.1 6.92 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.969 0.348 . . . . 71.22 113.969 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -128.71 176.29 7.92 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.938 0.895 . . . . 73.5 109.948 172.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HB3' HG23 ' A' ' 5' ' ' ILE . 9.2 tp10 -99.07 157.89 16.03 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.771 0.428 . . . . 74.43 111.537 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG22 ' HB3' ' A' ' 24' ' ' LYS . 42.5 t -123.43 151.62 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.401 1.08 . . . . 71.42 109.718 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 95.0 m-85 -129.84 132.82 46.6 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.015 -1.476 . . . . 70.45 107.015 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.573 ' HB ' HG22 ' A' ' 56' ' ' VAL . 20.5 mm -104.86 128.84 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.878 -0.786 . . . . 75.2 108.878 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD12 HG22 ' A' ' 65' ' ' ILE . 59.0 mt -103.88 108.44 19.76 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.387 -0.968 . . . . 72.35 108.387 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD13 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.09 130.02 34.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 109.32 -0.622 . . . . 72.41 109.32 -174.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -131.29 123.88 29.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.871 0.868 . . . . 74.33 108.742 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 25.1 t70 -135.64 161.95 34.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.251 1.02 . . . . 75.12 109.501 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.61 -37.28 84.54 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.827 0.851 . . . . 72.02 111.437 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -115.9 114.99 25.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.243 1.017 . . . . 73.12 109.283 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.83 -15.66 55.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.253 1.205 . . . . 75.32 114.253 -174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -45.43 16.16 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.283 -0.636 . . . . 75.4 109.283 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -71.67 -26.55 62.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.044 0.938 . . . . 75.52 110.276 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 60.5 tp -61.56 -50.63 71.88 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.909 1.284 . . . . 63.43 110.681 169.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.71 -39.15 93.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.097 -0.956 . . . . 72.13 112.131 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 12.0 pt-20 -67.3 -39.92 85.99 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.88 -0.415 . . . . 70.54 109.88 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.547 ' HG2' HD13 ' A' ' 34' ' ' LEU . 8.3 tppt? -58.3 -41.66 84.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.184 0.994 . . . . 74.4 111.097 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.556 HG21 ' HB ' ' A' ' 56' ' ' VAL . 92.4 mt -52.34 -50.52 37.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 O-C-N 124.654 1.221 . . . . 72.4 109.527 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -69.22 -31.48 70.09 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.9 0.88 . . . . 75.03 111.83 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.9 mmmt -66.07 -45.17 82.24 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.28 0.562 . . . . 71.02 110.132 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 56' ' ' VAL . 97.1 mt -75.75 -34.74 60.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.959 -1.019 . . . . 75.54 111.055 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.7 mtpt -67.73 -31.59 71.62 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.989 0.359 . . . . 75.14 110.542 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 t -61.01 -43.22 99.21 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.454 0.701 . . . . 72.42 110.588 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.1 -22.29 63.05 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.097 0.559 . . . . 71.43 111.748 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.86 30.21 3.3 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 122.867 0.27 . . . . 74.31 113.313 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -112.94 114.51 27.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.921 . . . . 74.42 108.777 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.49 97.01 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.105 -0.702 . . . . 72.11 109.105 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 32' ' ' ILE . 25.3 t -95.46 135.1 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.046 -0.979 . . . . 74.53 109.802 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.92 145.6 44.55 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 107.372 -1.344 . . . . 71.22 107.372 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -94.01 125.21 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.631 -1.248 . . . . 70.33 107.631 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 33' ' ' LEU . 14.9 m -121.05 177.04 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.785 0.834 . . . . 72.42 109.621 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -83.79 -78.69 0.22 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.181 -0.674 . . . . 65.44 109.181 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.71 -163.5 1.73 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.6 -0.889 . . . . 73.41 108.6 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 36.7 t70 -67.1 -25.84 66.41 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.506 0.722 . . . . 71.41 112.853 -164.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.01 -51.57 67.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.696 0.799 . . . . 74.34 110.642 171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.92 -28.81 55.42 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.03 -0.986 . . . . 64.5 111.161 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 9' ' ' ILE . 95.9 mt -62.15 -46.74 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.866 0.866 . . . . 75.32 110.23 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.4 -42.01 90.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.617 0.767 . . . . 74.31 111.778 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -70.17 -34.52 73.09 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.468 -0.787 . . . . 75.43 110.701 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.493 ' O ' HG12 ' A' ' 72' ' ' ILE . 57.2 t90 -66.02 -43.71 86.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.894 0.878 . . . . 74.51 109.957 -177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.513 HD11 HG13 ' A' ' 7' ' ' VAL . 1.7 mp -66.08 -43.96 92.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.27 0.628 . . . . 75.13 109.877 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.35 -37.21 69.71 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.852 0.861 . . . . 75.33 111.163 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -46.97 79.09 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.879 1.272 . . . . 74.52 111.15 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 68' ' ' TRP . 37.7 mm -65.81 -35.91 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.302 0.641 . . . . 74.41 111.127 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 69' ' ' ILE . 54.4 mtpt -64.0 -35.8 81.91 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.883 0.873 . . . . 74.05 111.039 176.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' HZ2' ' HB2' ' A' ' 74' ' ' LYS . 4.2 ttmp? -77.2 -35.43 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.096 -0.956 . . . . 72.42 110.356 -174.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -72.2 -41.76 66.57 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.614 0.765 . . . . 62.14 110.5 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -124.98 83.8 59.73 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 124.273 1.029 . . . . 73.13 109.148 -170.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -86.93 28.6 0.53 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.201 2.6 . . . . 74.24 112.43 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.1 -15.71 14.8 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 73.13 111.356 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 HD23 HG22 ' A' ' 5' ' ' ILE . 1.4 pp -138.7 155.59 48.12 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.459 0.703 . . . . 75.13 112.321 -163.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 46.3 mt-10 -74.48 137.93 42.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.58 -0.896 . . . . 73.42 108.58 166.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 t -116.46 103.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 106.949 -1.501 . . . . 72.24 106.949 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.8 tpp85 -97.65 137.81 36.0 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.767 0.827 . . . . 73.44 109.646 -169.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -97.97 125.06 42.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.89 0.476 . . . . 74.42 110.435 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.645 HG23 HD12 ' A' ' 93' ' ' ILE . 58.6 t -123.76 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.682 1.193 . . . . 72.11 109.282 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 43.9 p -88.54 -27.33 21.48 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.946 -0.471 . . . . 70.14 111.404 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -113.8 155.0 26.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.852 0.861 . . . . 74.21 110.557 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.01 -34.21 74.47 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.534 1.134 . . . . 73.52 111.486 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.78 -41.42 64.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.971 0.909 . . . . 74.53 111.196 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' HB2' HG13 ' A' ' 84' ' ' VAL . 62.0 mt-30 -74.18 -30.33 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.446 -1.252 . . . . 73.13 110.644 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.621 0.768 . . . . 73.15 111.528 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.33 -22.69 26.57 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.579 0.751 . . . . 73.25 112.421 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.65 -47.41 54.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.043 0.537 . . . . 73.04 109.844 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.645 HD12 HG23 ' A' ' 84' ' ' VAL . 11.8 pt -60.46 -27.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 112.756 0.65 . . . . 70.2 112.756 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.623 HD11 HD23 ' A' ' 19' ' ' LEU . 97.3 mt -52.99 -49.1 66.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.542 0.337 . . . . 74.0 110.421 169.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -74.53 -26.78 60.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.579 0.752 . . . . 74.13 111.931 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.04 -42.43 94.32 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.284 1.034 . . . . 65.02 110.498 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 28' ' ' LEU . 54.3 mt -79.62 -26.89 41.05 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 113.892 -1.504 . . . . 73.13 111.652 -176.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.55 -35.18 67.94 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.272 0.558 . . . . 74.42 109.602 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.508 ' HB3' ' HZ3' ' A' ' 99' ' ' LYS . 8.4 mtpm? -75.34 -17.0 60.35 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.145 -0.934 . . . . 74.35 110.851 171.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 64.12 23.95 13.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.843 1.257 . . . . 74.02 112.074 172.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -159.37 -105.8 0.21 Allowed Glycine 0 C--N 1.343 0.971 0 N-CA-C 110.622 -0.991 . . . . 60.33 110.622 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.6 m -149.73 170.17 19.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.151 0.58 . . . . 74.44 111.786 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.96 -61.62 1.55 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.865 0.866 . . . . 73.44 110.333 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.07 -36.02 0.14 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.031 1.122 . . . . 72.2 114.031 -171.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -156.18 137.43 13.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.913 0.324 . . . . 71.42 110.455 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -90.1 50.41 1.86 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 123.83 0.852 . . . . 74.04 111.094 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -170.95 170.04 6.46 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.722 1.209 . . . . 71.15 108.097 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -137.09 148.57 46.81 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.597 0.635 . . . . 72.42 111.61 -176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -146.79 146.23 30.19 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.017 1.327 . . . . 65.14 108.439 168.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 C--O 1.26 1.649 0 C-N-CA 123.961 0.904 . . . . 73.15 109.254 174.736 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 108.333 -0.988 . . . . 73.02 108.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.25 62.15 0.31 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.782 -0.645 . . . . 73.23 112.01 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 m -71.5 -172.08 0.72 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 74.24 111.394 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.551 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 6.1 ttpm? -159.61 140.69 12.6 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.999 0.52 . . . . 74.23 110.162 177.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 79' ' ' LEU . 48.2 pt -122.36 151.36 26.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 108.027 -1.101 . . . . 74.31 108.027 166.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 93' ' ' ILE . 50.2 mm -116.32 123.71 71.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.18 -1.044 . . . . 73.32 108.18 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.523 HG12 HD11 ' A' ' 69' ' ' ILE . 59.9 t -101.09 113.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.118 -1.067 . . . . 74.41 108.118 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 58.5 mt -108.8 123.59 64.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 N-CA-C 108.797 -0.816 . . . . 72.44 108.797 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.535 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.8 mp -98.51 95.21 4.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.982 -1.488 . . . . 71.45 106.982 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.526 ' HB2' HD23 ' A' ' 34' ' ' LEU . 41.2 m -88.19 105.01 17.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.879 -0.6 . . . . 60.33 109.583 -170.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -111.61 99.94 8.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.796 0.838 . . . . 75.41 109.359 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 73.75 -61.07 0.51 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.591 1.556 . . . . 61.32 112.663 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.51 117.35 4.78 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 74.42 111.609 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 t -72.01 -14.28 61.84 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.075 0.95 . . . . 75.23 111.665 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 m -54.26 -37.45 64.7 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.065 0.946 . . . . 74.43 111.886 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.05 -28.53 65.53 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.803 0.441 . . . . 73.14 110.855 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -78.8 -40.43 33.03 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.869 0.868 . . . . 73.33 111.073 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.22 -34.7 55.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.762 0.425 . . . . 73.24 111.237 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 94' ' ' LEU . 52.1 mt -64.09 -39.06 93.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.384 0.673 . . . . 74.22 109.855 174.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' HB2' HG13 ' A' ' 30' ' ' VAL . . . -52.29 -38.01 57.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.479 1.112 . . . . 70.04 113.022 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -61.36 -41.17 96.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.619 0.768 . . . . 75.14 110.682 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -73.83 -30.51 62.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.415 0.686 . . . . 74.24 112.009 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG22 HD21 ' A' ' 97' ' ' LEU . 1.9 mp -63.52 -54.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 123.211 0.319 . . . . 73.13 110.43 171.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.2 ptpt -67.39 -20.33 65.53 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.328 0.492 . . . . 74.52 112.328 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.71 -20.0 65.38 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.424 1.089 . . . . 75.45 111.797 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -75.84 -16.65 60.04 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.11 0.564 . . . . 74.55 112.2 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.55 20.09 2.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 114.623 0.609 . . . . 74.31 114.623 171.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' H ' HD21 ' A' ' 28' ' ' LEU . 1.6 pt? -126.98 173.56 9.55 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.949 0.9 . . . . 74.52 110.044 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -92.61 150.41 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.685 0.394 . . . . 74.44 110.526 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 ' HB3' ' A' ' 24' ' ' LYS . 73.1 t -118.8 130.56 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.917 0.887 . . . . 75.12 109.593 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 7' ' ' VAL . 2.1 m-85 -104.38 144.39 31.71 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.725 -1.583 . . . . 72.23 106.725 171.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.516 ' HB ' HG23 ' A' ' 56' ' ' VAL . 24.5 mm -119.75 136.53 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.445 -0.946 . . . . 74.42 108.445 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' HB2' HG13 ' A' ' 9' ' ' ILE . 53.6 mt -107.71 103.07 12.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.833 -1.173 . . . . 72.25 107.833 165.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -84.69 128.93 34.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 106.906 -1.516 . . . . 73.33 106.906 -175.064 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -125.94 120.07 29.42 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.299 -0.63 . . . . 75.45 109.299 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.556 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 23.7 t70 -135.56 150.08 49.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.64 1.176 . . . . 74.44 108.066 175.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -75.3 -9.41 58.53 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.897 0.479 . . . . 64.32 112.291 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.47 108.94 14.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.821 -1.177 . . . . 63.22 107.821 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.0 pt-20 -62.81 -14.15 41.94 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.111 1.152 . . . . 75.42 114.111 -173.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -84.47 -47.89 10.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.727 0.411 . . . . 74.21 110.273 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.5 -35.91 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.719 0.807 . . . . 73.11 109.809 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 45.3 tp -56.17 -56.42 21.09 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.352 1.461 . . . . 55.21 110.866 170.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HA ' HD11 ' A' ' 46' ' ' ILE . 4.0 tp10 -60.56 -35.38 75.91 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.151 0.907 . . . . 74.25 110.692 -172.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 64.9 mm-40 -68.64 -46.93 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.462 0.705 . . . . 73.02 110.937 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -57.26 -39.95 76.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.193 0.997 . . . . 74.33 110.307 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.494 HD11 ' HA ' ' A' ' 43' ' ' GLU . 97.2 mt -56.96 -54.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 113.737 -1.574 . . . . 75.53 110.328 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.3 mm-40 -61.21 -34.11 74.57 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.819 0.699 . . . . 74.22 110.974 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 28.1 mmtp -70.0 -44.84 68.53 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.385 0.428 . . . . 74.44 110.777 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.538 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.8 mt -67.23 -33.25 74.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.524 0.515 . . . . 72.25 111.569 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 38.4 mtpt -70.8 -32.96 70.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.084 0.402 . . . . 75.24 110.773 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.9 t -69.01 -25.43 64.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.566 0.746 . . . . 72.0 110.717 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -81.79 -14.29 56.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.725 0.81 . . . . 75.13 111.329 171.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.07 2.35 33.89 Favored Glycine 0 N--CA 1.475 1.236 0 N-CA-C 114.297 0.479 . . . . 75.11 114.297 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -79.6 133.25 36.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 117.329 0.565 . . . . 71.15 109.706 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -81.94 89.09 6.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.617 0.723 . . . . 74.02 109.236 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -94.52 147.25 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 115.528 -0.76 . . . . 62.33 110.53 -174.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.49 148.79 52.34 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 123.967 0.907 . . . . 74.03 108.646 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -88.24 111.36 21.58 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.439 1.096 . . . . 74.31 108.181 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.53 155.45 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 N-CA-C 108.844 -0.799 . . . . 73.34 108.844 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.48 -46.17 9.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.143 0.577 . . . . 75.34 111.507 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.89 167.31 20.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.781 0.432 . . . . 52.5 110.875 -167.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 7.8 p-10 -69.84 -19.21 63.46 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.767 0.827 . . . . 74.44 112.437 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.61 -47.68 77.7 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.519 -0.549 . . . . 71.42 109.519 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.29 -38.54 91.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.503 0.721 . . . . 74.54 110.141 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.497 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 82.7 mt -62.43 -42.97 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.733 1.213 . . . . 54.4 112.09 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.18 -43.93 83.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.804 0.442 . . . . 72.23 110.876 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -29.24 61.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.922 -1.036 . . . . 73.2 110.556 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' HG12 ' A' ' 72' ' ' ILE . 38.1 t90 -67.0 -46.13 75.47 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.052 0.941 . . . . 74.32 109.405 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -74.32 -32.95 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.625 -0.509 . . . . 74.55 109.625 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 36.8 t70 -56.63 -43.43 80.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.675 0.79 . . . . 73.24 110.851 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -76.69 -36.83 57.0 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.652 -0.69 . . . . 75.53 111.082 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -60.11 -38.72 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-N 118.761 0.709 . . . . 73.32 110.99 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 73' ' ' LYS . 10.0 mtmp? -67.22 -34.25 77.08 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.539 0.735 . . . . 64.41 111.065 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -82.1 -36.95 27.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 73.34 110.31 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.57 -36.64 37.89 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.806 1.242 . . . . 71.12 109.831 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -122.35 85.94 47.8 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.338 1.055 . . . . 74.15 109.198 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 -16.6 29.22 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.786 2.324 . . . . 75.23 112.327 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.01 -7.01 59.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.005 0.922 . . . . 74.44 112.987 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG12 ' A' ' 5' ' ' ILE . 1.9 pp -138.31 125.97 22.19 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.849 0.46 . . . . 72.11 111.108 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.97 129.48 40.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.474 0.709 . . . . 74.0 109.13 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 t -112.34 126.92 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.407 0.683 . . . . 73.23 109.251 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -115.62 138.28 51.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.911 0.884 . . . . 74.1 109.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' HG12 ' A' ' 69' ' ' ILE . 30.5 mtmm -96.17 126.09 41.14 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.427 -0.583 . . . . 73.11 109.427 172.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.629 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 71.3 t -117.17 92.13 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.421 1.088 . . . . 75.45 109.534 175.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 p -86.75 -25.05 24.89 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 122.266 -0.271 . . . . 73.42 110.858 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.81 160.08 20.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.888 0.875 . . . . 74.23 111.979 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -66.0 -40.72 91.39 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.594 1.158 . . . . 71.12 111.165 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.36 -28.94 70.04 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.419 0.287 . . . . 71.21 110.949 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.17 -33.16 67.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.282 0.633 . . . . 75.11 110.981 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.33 63.56 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.134 0.574 . . . . 72.01 112.128 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -86.8 -25.97 24.33 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.61 0.596 . . . . 74.13 112.61 167.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -49.43 66.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.829 -0.804 . . . . 75.52 108.829 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.616 HD12 HG21 ' A' ' 84' ' ' VAL . 14.7 pt -54.6 -31.75 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 113.377 0.88 . . . . 70.25 113.377 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 19' ' ' LEU . 85.7 mt -50.64 -50.09 55.32 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.176 0.444 . . . . 72.02 111.186 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 6.3 pt-20 -81.67 -27.59 33.97 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 110.585 -0.154 . . . . 73.43 110.585 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.606 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 28.4 t70 -70.03 -29.63 66.73 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.408 0.683 . . . . 74.03 111.241 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 23' ' ' ILE . 6.9 mp -66.18 -28.33 68.68 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.712 0.805 . . . . 71.01 110.623 172.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -87.51 -37.58 16.8 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.999 -1.0 . . . . 73.32 109.779 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 28.8 mmmt -84.34 -36.88 22.21 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.463 0.705 . . . . 73.22 111.603 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.503 ' HB2' ' HZ1' ' A' ' 100' ' ' LYS . 4.4 ttmp? -79.02 94.19 5.25 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.04 -0.726 . . . . 74.11 109.04 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.94 60.31 0.4 Allowed Glycine 0 C--N 1.332 0.335 0 N-CA-C 109.309 -1.516 . . . . 62.21 109.309 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -65.6 147.44 53.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.524 0.73 . . . . 72.24 111.288 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.87 -31.7 66.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.471 -0.786 . . . . 75.03 109.36 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -84.67 159.0 20.64 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.603 1.161 . . . . 74.34 111.26 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -97.39 36.95 1.4 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.688 -0.856 . . . . 71.22 108.688 162.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -57.04 -40.83 77.5 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.717 1.607 . . . . 74.11 112.308 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -68.32 84.85 0.26 Allowed 'General case' 0 CA--C 1.546 0.796 0 O-C-N 124.073 0.858 . . . . 72.14 110.613 -170.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -71.16 131.59 43.78 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.09 -0.959 . . . . 74.53 110.731 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -85.06 142.33 29.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.861 0.864 . . . . 74.15 110.757 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.7 p80 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.099 -1.445 . . . . 70.02 107.099 170.239 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 121.18 0.514 . . . . 75.41 110.488 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.38 -115.55 2.22 Favored Glycine 0 CA--C 1.504 -0.618 0 N-CA-C 110.312 -1.115 . . . . 75.51 110.312 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -70.54 98.52 1.48 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 109.588 -0.523 . . . . 73.02 109.588 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 23.3 ttmm -126.02 128.25 47.14 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.375 -0.972 . . . . 72.43 108.375 168.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.8 pt -119.67 142.65 34.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 N-CA-C 108.123 -1.066 . . . . 75.11 108.123 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG13 HG23 ' A' ' 23' ' ' ILE . 45.9 mm -117.68 130.76 72.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.704 -0.85 . . . . 75.11 108.704 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.98 104.54 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.875 -1.157 . . . . 74.21 107.875 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.05 125.74 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.822 0.849 . . . . 73.34 109.355 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.56 98.7 7.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.797 -1.557 . . . . 73.41 106.797 -175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.484 ' HB3' HD23 ' A' ' 34' ' ' LEU . 32.9 t -95.19 105.1 17.01 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 108.913 -0.773 . . . . 75.5 108.913 -177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -91.27 72.73 6.2 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.971 -1.013 . . . . 75.13 109.735 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.56 35.84 22.7 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-N 115.138 -0.937 . . . . 75.2 111.397 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HB3' HD11 ' A' ' 16' ' ' LEU . 12.7 t70 -127.37 144.64 51.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.358 -0.839 . . . . 74.12 111.133 -177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -88.42 -34.48 17.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.099 0.96 . . . . 75.1 112.583 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.436 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m -52.92 -43.59 66.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.404 0.682 . . . . 75.23 112.296 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 13' ' ' ASP . 5.8 mp -64.86 -28.99 69.93 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.176 0.59 . . . . 75.3 111.422 -176.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.1 -39.39 49.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.165 0.986 . . . . 64.3 109.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.62 -46.87 87.95 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 115.0 -1.0 . . . . 74.33 109.816 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 15' ' ' THR . 63.9 mt -64.04 -44.37 92.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.54 1.136 . . . . 74.34 110.646 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.74 55.38 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.528 1.131 . . . . 72.35 112.863 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HD2' ' A' ' 24' ' ' LYS . 10.9 tpt180 -62.53 -31.59 72.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.228 1.011 . . . . 72.32 111.856 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.76 -39.48 57.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.555 0.742 . . . . 74.2 110.412 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.523 HG23 HG13 ' A' ' 6' ' ' ILE . 3.1 mp -68.26 -46.71 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.899 0.48 . . . . 72.22 110.874 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD2' ' HD2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -68.37 -21.87 64.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.302 0.482 . . . . 74.13 112.302 -177.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.04 -13.11 61.94 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.947 0.779 . . . . 45.14 111.772 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.682 ' HG3' HD22 ' A' ' 97' ' ' LEU . 44.3 mm-40 -74.13 -4.04 33.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.631 0.772 . . . . 73.25 111.446 172.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 37.49 14.08 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.592 -1.003 . . . . 71.34 110.592 -170.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 16.8 mt -107.36 144.38 34.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.424 0.689 . . . . 74.22 109.298 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.68 108.31 17.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.689 0.796 . . . . 74.41 108.891 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.8 t -102.13 131.0 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.472 0.709 . . . . 65.4 109.727 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.39 133.55 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.831 1.253 . . . . 75.33 107.743 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.5 mm -114.49 119.12 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.469 -0.938 . . . . 74.41 108.469 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD13 HG13 ' A' ' 59' ' ' VAL . 24.3 mt -92.84 98.63 11.51 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.024 -1.102 . . . . 74.22 108.024 173.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD23 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -90.05 129.65 36.33 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.717 -1.216 . . . . 73.15 107.717 -174.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -127.48 124.66 38.86 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.824 -0.806 . . . . 74.22 108.824 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 29.9 t70 -133.35 161.75 33.67 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.361 1.064 . . . . 70.0 108.159 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.89 -24.51 63.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.8 0.84 . . . . 74.24 111.226 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -125.69 115.77 20.62 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.097 0.959 . . . . 75.32 109.934 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.75 -22.91 39.0 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.473 1.286 . . . . 75.21 114.473 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 7.5 tmtt? -72.48 -57.74 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.26 -1.015 . . . . 74.52 108.26 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.25 -38.05 82.27 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.507 0.723 . . . . 72.42 110.889 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 31.5 tp -53.9 -48.97 69.6 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.253 1.421 . . . . 74.22 111.527 174.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 46' ' ' ILE . 24.1 tt0 -74.3 -24.89 59.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.762 -0.653 . . . . 74.41 110.93 -174.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 49.2 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.236 -0.653 . . . . 74.32 109.236 173.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 13.3 tptm -60.48 -40.79 92.55 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.784 -1.098 . . . . 64.44 111.039 179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.511 HG22 ' HB ' ' A' ' 56' ' ' VAL . 69.4 mt -53.01 -49.74 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.386 1.074 . . . . 75.32 110.239 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.054 0.541 . . . . 73.45 111.964 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.68 -42.11 92.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.699 0.799 . . . . 74.41 111.406 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.568 ' HB2' HG21 ' A' ' 56' ' ' VAL . 72.6 mt -73.59 -35.56 65.44 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.449 -0.796 . . . . 74.32 111.649 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.05 -23.7 65.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.831 0.453 . . . . 74.41 111.935 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -61.86 -29.07 69.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.056 0.543 . . . . 73.32 111.262 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -94.81 18.41 11.81 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.804 0.841 . . . . 73.55 111.158 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.77 73.39 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 119.265 -0.742 . . . . 62.42 114.796 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -67.15 127.92 34.43 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 117.695 0.748 . . . . 73.13 109.696 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.33 91.1 7.25 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.257 -1.016 . . . . 72.52 108.257 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.7 t -93.65 139.41 18.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.12 -0.945 . . . . 74.32 110.193 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.03 146.95 50.17 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.809 0.843 . . . . 74.43 109.249 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HG3' HD22 ' A' ' 42' ' ' LEU . 39.9 ttmt -87.14 120.9 28.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.703 -1.221 . . . . 75.02 107.703 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG13 HD13 ' A' ' 33' ' ' LEU . 10.4 m -119.96 149.54 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.926 0.89 . . . . 74.54 109.625 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.42 -58.75 3.09 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.765 0.666 . . . . 73.43 110.916 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -165.88 -167.36 1.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.556 -0.905 . . . . 65.32 108.556 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.507 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 1.4 m-20 -64.0 -24.9 67.89 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 123.93 0.892 . . . . 70.02 112.053 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.22 -56.71 16.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.301 1.041 . . . . 73.12 109.819 169.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.01 -30.08 64.86 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.678 -1.146 . . . . 74.44 110.799 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.507 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 69.7 mt -68.78 -53.67 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.77 1.228 . . . . 74.3 111.449 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.12 -35.51 73.58 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.994 0.518 . . . . 73.53 110.806 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.2 -24.63 54.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.109 -0.951 . . . . 75.43 110.901 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.539 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 23.6 t90 -72.24 -40.37 67.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.056 0.542 . . . . 75.42 110.274 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 83' ' ' LYS . 2.0 mp -68.99 -36.63 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.927 -0.768 . . . . 73.32 108.927 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.86 -50.14 74.33 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.725 0.81 . . . . 74.43 111.341 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 17.4 ptpt -65.99 -34.02 77.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.237 0.336 . . . . 74.52 110.685 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.6 mm -69.06 -40.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.931 0.892 . . . . 71.25 111.866 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -67.83 -27.08 66.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.979 0.419 . . . . 75.32 110.171 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -82.68 -22.84 34.42 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.163 0.985 . . . . 74.23 110.74 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 20.8 mm-40 -78.28 -49.61 13.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.1 -0.704 . . . . 70.11 109.1 171.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.513 ' HD2' HD22 ' A' ' 79' ' ' LEU . 39.0 mtt180 -134.39 96.58 15.32 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.058 0.943 . . . . 75.42 108.938 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -88.36 12.2 2.88 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.954 2.436 . . . . 73.44 112.235 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -104.47 7.76 35.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.196 0.998 . . . . 75.24 111.576 -172.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.513 HD22 ' HD2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -134.67 163.99 28.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.202 0.601 . . . . 75.51 112.111 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 6.9 mm-40 -72.99 130.4 40.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.76 -1.109 . . . . 74.21 109.096 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -125.57 107.09 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.064 -1.087 . . . . 75.23 108.064 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HG2' HG22 ' A' ' 93' ' ' ILE . 23.1 tpp180 -109.37 105.82 15.35 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.247 -0.649 . . . . 74.53 109.247 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.488 ' HB2' HG12 ' A' ' 69' ' ' ILE . 40.5 ttpt -72.63 120.25 17.98 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.542 -0.91 . . . . 72.02 108.542 169.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' A' ' 90' ' ' ALA . 72.8 t -116.49 92.39 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.509 1.124 . . . . 73.34 108.646 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -70.97 -43.89 67.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.602 0.761 . . . . 74.21 111.406 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.27 152.12 33.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 73.35 110.378 -174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.46 -34.14 68.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.793 1.237 . . . . 73.14 113.084 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.04 -37.16 68.86 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.502 1.121 . . . . 73.23 110.717 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' HB2' HG11 ' A' ' 84' ' ' VAL . 16.3 mt-30 -73.92 -33.91 64.16 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.561 -1.2 . . . . 71.31 110.366 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 84' ' ' VAL . . . -70.5 -26.07 63.43 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.149 0.5 . . . . 63.12 111.487 175.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -79.07 -33.13 44.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.768 0.827 . . . . 70.14 111.193 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -78.32 -36.89 45.83 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.251 0.621 . . . . 74.33 110.884 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.53 ' O ' HD13 ' A' ' 97' ' ' LEU . 21.6 pt -65.06 -25.73 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 113.366 0.876 . . . . 71.15 113.366 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.15 -37.5 2.08 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.334 0.588 . . . . 75.44 111.258 168.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 37.6 mt-10 -86.46 -41.08 14.7 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.653 1.181 . . . . 75.41 111.846 176.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.9 t70 -50.19 -37.85 37.1 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.3 1.04 . . . . 72.51 112.946 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.682 HD22 ' HG3' ' A' ' 26' ' ' GLU . 6.1 mp -62.99 -30.28 71.47 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 125.206 1.402 . . . . 75.11 111.024 175.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -88.3 -34.37 17.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.591 1.156 . . . . 72.41 112.095 -178.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 14.3 mmmm -61.51 -29.54 70.05 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.202 0.601 . . . . 75.34 111.365 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -118.63 73.51 0.92 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.182 -1.414 . . . . 75.04 107.182 168.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' HA2' ' SD ' ' A' ' 1' ' ' MET . . . -110.16 -84.8 1.56 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.132 -0.486 . . . . 74.53 113.02 -173.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -76.99 3.29 12.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.031 0.932 . . . . 74.24 113.417 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.77 -77.31 0.13 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.534 -0.914 . . . . 73.21 108.534 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.62 63.82 0.61 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.231 1.013 . . . . 75.55 109.363 -177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -78.56 79.12 5.0 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.528 -0.76 . . . . 74.31 111.194 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -80.57 -1.55 42.51 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.458 0.703 . . . . 75.04 109.513 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -40.71 109.66 0.12 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.984 1.714 . . . . 73.25 109.419 162.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.86 -22.86 65.88 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.664 0.987 . . . . 62.21 113.664 -163.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 68.72 119.17 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.465 1.106 . . . . 74.3 112.561 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.002 0.921 . . . . 73.32 109.195 174.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 119.79 -0.147 . . . . 75.12 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.84 45.39 4.86 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 110.433 -1.067 . . . . 74.22 110.433 -166.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -71.38 177.78 3.77 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.018 0.927 . . . . 73.43 110.917 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 80' ' ' GLU . 11.8 tppt? -132.94 133.54 43.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.705 -0.85 . . . . 72.33 108.705 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.66 145.91 34.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 107.163 -1.421 . . . . 74.1 107.163 159.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.491 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.3 mm -114.42 138.26 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 108.334 -0.987 . . . . 72.53 108.334 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG13 HD12 ' A' ' 69' ' ' ILE . 40.2 t -116.67 111.89 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.275 -1.009 . . . . 74.53 108.275 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt -109.29 126.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 123.174 0.59 . . . . 75.22 109.947 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -94.7 91.91 3.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 N-CA-C 106.359 -1.719 . . . . 74.32 106.359 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -81.06 102.06 9.98 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.914 -1.143 . . . . 62.45 107.914 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -107.61 83.95 1.88 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.239 -0.891 . . . . 74.51 109.936 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 78.69 -53.08 0.47 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.179 1.392 . . . . 74.12 112.149 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.08 149.09 43.42 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 71.12 111.329 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -101.14 -14.45 17.75 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.046 0.758 . . . . 65.33 113.046 -169.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -24.88 67.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.68 0.392 . . . . 70.42 111.603 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.89 -31.72 72.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.99 0.516 . . . . 74.0 110.103 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.98 -32.19 30.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.709 1.203 . . . . 74.11 110.161 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.26 -49.24 72.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.654 1.182 . . . . 75.05 109.851 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.57 -36.39 78.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.999 -1.0 . . . . 72.53 110.535 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -54.37 -36.94 64.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.389 1.076 . . . . 70.23 112.811 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -73.97 -32.48 63.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.384 0.674 . . . . 73.42 110.76 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -73.96 -31.53 63.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.421 0.688 . . . . 55.41 110.816 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 20' ' ' ALA . 93.9 mt -66.24 -60.13 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.815 0.846 . . . . 73.04 110.519 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HB3' HG21 ' A' ' 30' ' ' VAL . 11.0 ptpt -63.41 -17.78 63.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.421 0.897 . . . . 74.13 113.421 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.17 -20.6 42.27 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.178 0.991 . . . . 72.34 112.802 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.97 -2.71 28.39 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.44 0.696 . . . . 63.04 112.082 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.25 35.19 5.09 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 123.023 0.344 . . . . 71.52 112.836 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.45 164.52 20.96 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.58 0.752 . . . . 74.0 109.883 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -90.58 146.4 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.742 0.417 . . . . 72.22 110.524 173.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.491 HG22 ' HB ' ' A' ' 6' ' ' ILE . 74.0 t -122.07 128.1 75.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 123.69 0.796 . . . . 72.4 108.999 170.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.03 113.6 27.25 Favored 'General case' 0 C--N 1.337 0.054 0 N-CA-C 107.623 -1.251 . . . . 71.35 107.623 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' HB ' HG23 ' A' ' 56' ' ' VAL . 29.7 mm -89.33 117.6 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.793 -0.817 . . . . 71.21 108.793 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD11 HG13 ' A' ' 59' ' ' VAL . 25.8 mt -87.83 105.58 17.51 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.221 -1.029 . . . . 73.23 108.221 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 121.11 32.86 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.059 -1.089 . . . . 71.44 108.059 -177.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.4 ptmm? -126.9 118.71 25.1 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.733 -1.21 . . . . 75.35 107.733 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 14.0 t70 -134.23 167.63 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.052 -0.976 . . . . 71.51 108.793 -174.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -70.35 -35.49 73.6 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.865 0.466 . . . . 72.21 110.773 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -117.99 179.2 4.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.466 0.706 . . . . 72.31 112.759 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.56 -58.97 2.04 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.96 0.904 . . . . 73.05 111.344 -174.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 22.7 ttmm -73.5 -30.13 62.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.866 0.467 . . . . 72.52 111.675 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.37 -44.42 87.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.982 -0.747 . . . . 74.41 108.982 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 5.4 tt -61.71 -44.58 96.65 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.495 1.118 . . . . 75.12 112.896 168.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 7.3 tt0 -50.46 -53.06 32.56 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.344 1.458 . . . . 61.11 112.327 -174.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.63 -34.66 67.48 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 115.777 -0.647 . . . . 75.43 110.348 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -46.41 85.2 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.011 0.924 . . . . 74.53 111.328 174.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.543 HG23 ' HB ' ' A' ' 56' ' ' VAL . 13.8 mt -50.5 -48.81 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.154 0.908 . . . . 73.3 110.203 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -74.57 -31.08 61.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.295 -0.866 . . . . 73.12 112.177 -173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.62 -36.24 82.12 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.174 0.511 . . . . 74.11 110.792 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.609 ' HB2' HG21 ' A' ' 56' ' ' VAL . 95.2 mt -77.42 -43.03 33.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.356 -0.838 . . . . 70.41 111.39 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -66.62 -24.72 66.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 111.77 0.285 . . . . 73.25 111.77 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -59.95 -30.88 69.38 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.756 0.823 . . . . 60.52 111.712 169.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 HE21 ' HA ' ' A' ' 49' ' ' LEU . 43.1 mt-30 -86.08 5.34 34.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.824 0.85 . . . . 72.25 111.275 176.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.13 2.73 56.89 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 119.521 -0.599 . . . . 75.11 114.105 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -77.32 167.02 22.41 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 117.629 0.714 . . . . 74.22 111.825 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -117.44 110.52 18.11 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.776 -1.194 . . . . 73.35 107.776 165.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 49' ' ' LEU . 24.3 t -111.62 127.27 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.351 0.66 . . . . 65.45 109.545 -173.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 25.8 mmm180 -120.22 144.87 47.5 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.003 0.921 . . . . 74.4 109.825 -173.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -83.36 123.12 29.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.379 -0.971 . . . . 75.15 108.379 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.585 HG13 HD11 ' A' ' 33' ' ' LEU . 18.7 m -122.54 157.23 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.204 0.602 . . . . 72.35 109.916 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -79.03 -73.51 0.33 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.703 -0.681 . . . . 71.23 109.681 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -154.81 -163.89 1.68 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 108.397 -0.964 . . . . 65.44 108.397 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.892 0.877 . . . . 75.41 112.186 -169.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -55.77 -51.87 65.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.891 0.877 . . . . 74.14 110.627 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.77 -31.1 63.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.96 0.904 . . . . 71.34 110.608 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.55 HD11 ' HD2' ' A' ' 35' ' ' LYS . 85.4 mt -65.0 -55.4 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.223 1.009 . . . . 73.01 111.284 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.91 -35.83 81.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.624 0.37 . . . . 63.21 111.075 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -71.43 -32.58 68.54 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.821 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.412 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.7 t90 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.399 0.679 . . . . 75.32 109.665 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.697 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -75.23 -33.4 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 122.994 0.517 . . . . 73.12 109.936 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 21.3 t70 -62.67 -37.55 86.86 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.211 -0.904 . . . . 73.23 111.354 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.76 -37.69 67.59 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.697 -0.668 . . . . 75.03 111.073 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -63.51 -39.47 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-N 118.411 0.551 . . . . 74.42 111.275 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 53.6 mtmt -62.82 -37.06 85.24 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.77 -0.65 . . . . 74.4 110.676 176.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -76.73 -44.85 31.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 74.13 110.975 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.66 -47.02 79.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.97 0.908 . . . . 72.04 110.137 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -125.03 90.13 51.52 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 114.866 -1.061 . . . . 74.34 110.09 -170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.56 -7.85 17.94 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 74.34 112.978 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -82.11 -8.9 59.67 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.786 0.661 . . . . 74.33 112.786 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.64 160.36 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.063 0.545 . . . . 75.22 111.779 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 60.9 mm-40 -93.18 139.25 30.8 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.096 0.958 . . . . 74.13 108.516 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -120.7 119.34 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.57 -0.53 . . . . 72.43 109.57 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 93' ' ' ILE . 16.9 tpp180 -111.92 133.95 53.79 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.646 0.779 . . . . 73.11 109.904 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.697 ' HG2' HG12 ' A' ' 69' ' ' ILE . 24.0 mtmm -94.0 113.24 25.19 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.717 -0.846 . . . . 73.12 108.717 170.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 HG13 ' HB1' ' A' ' 90' ' ' ALA . 87.8 t -110.7 91.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.984 -0.747 . . . . 63.31 108.984 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.414 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 44.9 p -87.63 -21.85 25.07 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.787 0.327 . . . . 74.12 110.751 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.4 147.87 38.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.842 0.857 . . . . 71.14 110.831 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -51.91 -42.02 62.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.289 1.036 . . . . 73.12 110.818 167.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.38 -40.22 74.25 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.349 1.06 . . . . 62.3 112.081 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.12 -35.25 76.2 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.094 -0.503 . . . . 74.15 111.122 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' HG13 ' A' ' 84' ' ' VAL . . . -67.65 -31.25 71.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.181 0.592 . . . . 73.42 111.497 174.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -74.91 -33.77 62.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.698 0.799 . . . . 74.51 110.743 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -75.06 -41.63 58.59 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.785 -0.643 . . . . 71.52 110.853 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 82' ' ' ARG . 19.9 pt -69.64 -22.54 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.343 0.868 . . . . 55.43 113.343 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -51.96 -27.97 15.05 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.506 0.323 . . . . 71.4 111.016 166.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 7.6 mm-40 -84.95 -53.13 5.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.927 0.891 . . . . 72.04 111.065 169.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.509 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.2 t70 -44.9 -43.98 9.31 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 125.107 1.363 . . . . 70.41 113.9 -175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.13 -39.69 87.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.086 0.954 . . . . 72.1 111.497 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -76.28 -41.61 48.26 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.136 -0.938 . . . . 74.34 110.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 11.4 mmpt? -67.29 -17.72 64.9 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 114.82 -1.082 . . . . 75.21 113.002 -172.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.9 tptt 58.56 53.53 6.06 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.098 -1.816 . . . . 73.44 106.098 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 135.24 37.29 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 113.813 -1.539 . . . . 73.13 114.822 -162.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.5 m -103.71 30.11 5.3 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.172 0.989 . . . . 75.32 109.777 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.443 ' HB2' HH22 ' A' ' 82' ' ' ARG . 3.3 mm? -68.64 -40.76 80.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.395 0.678 . . . . 73.21 109.365 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -92.16 87.02 5.95 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.114 -1.069 . . . . 72.14 108.114 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -147.24 37.67 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.303 -1.369 . . . . 74.03 107.303 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -76.41 74.19 3.17 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.597 1.189 . . . . 74.3 110.162 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.23 174.09 10.93 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 125.366 1.466 . . . . 64.32 107.804 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 63.02 33.52 14.69 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.691 0.796 . . . . 75.22 110.816 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -157.94 175.99 13.13 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.751 -0.659 . . . . 71.33 110.062 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.8 t60 . . . . . 0 C--O 1.248 0.987 0 N-CA-C 108.498 -0.927 . . . . 72.55 108.498 172.124 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.376 -0.601 . . . . 73.14 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.2 52.74 2.17 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.848 -0.615 . . . . 73.12 111.683 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -114.83 167.66 10.58 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.265 0.626 . . . . 70.24 111.332 -174.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' HG3' ' A' ' 80' ' ' GLU . 18.4 ttpt -144.97 145.45 31.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.878 1.271 . . . . 65.12 108.555 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD11 ' A' ' 79' ' ' LEU . 24.2 pt -115.39 152.27 17.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.843 0 N-CA-C 108.945 -0.761 . . . . 74.01 108.945 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm -114.05 143.37 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.613 -0.721 . . . . 74.32 109.564 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.639 HG11 HD11 ' A' ' 69' ' ' ILE . 72.8 t -119.21 115.15 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 107.795 -1.187 . . . . 75.02 107.795 171.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.597 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 49.2 mt -105.4 124.16 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.657 -0.498 . . . . 75.31 109.657 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -95.71 98.46 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 105.642 -1.984 . . . . 70.5 105.642 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -114.35 132.28 56.25 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.577 0.704 . . . . 74.42 111.038 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.516 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 79.3 p -132.73 123.7 26.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.208 -1.36 . . . . 71.33 109.801 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.78 -69.79 0.16 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.984 1.313 . . . . 75.53 113.462 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.02 138.66 46.1 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.73 1.212 . . . . 63.32 112.247 -171.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -74.57 -26.81 60.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.1 0.96 . . . . 74.1 113.198 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 m -56.12 -40.36 73.64 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.304 0.502 . . . . 63.21 112.354 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.2 -32.53 66.86 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.266 0.555 . . . . 72.21 110.144 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HB3' HD23 ' A' ' 49' ' ' LEU . 48.1 mt-10 -67.56 -49.43 63.24 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.824 1.25 . . . . 72.43 111.061 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.14 -25.77 52.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.243 0.617 . . . . 74.1 112.206 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.6 -33.45 72.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.924 0.489 . . . . 75.43 110.495 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 8' ' ' ILE . . . -53.57 -32.37 50.57 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.002 0.921 . . . . 74.44 112.299 176.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -69.96 -30.83 68.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.57 0.748 . . . . 72.33 111.224 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -69.97 -45.27 67.72 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 122.953 0.501 . . . . 73.33 110.137 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.59 -52.08 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.251 0.62 . . . . 75.21 111.518 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 14.3 ptmm? -56.83 -21.68 30.83 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.7 0.8 . . . . 73.32 112.607 -172.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.17 -29.7 61.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.567 1.147 . . . . 74.35 111.743 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.84 -18.99 65.0 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.585 0.754 . . . . 75.41 112.101 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.83 41.8 1.78 Allowed Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.618 0.628 . . . . 74.4 112.651 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 5' ' ' ILE . 1.4 pt? -126.87 151.75 47.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.587 0.355 . . . . 70.32 110.933 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.27 122.42 21.95 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 124.255 0.972 . . . . 71.33 108.546 167.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' A' ' 20' ' ' ALA . 59.3 t -102.06 129.1 53.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.391 -0.966 . . . . 73.4 108.391 176.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 57.8 m-85 -104.2 132.9 49.97 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.383 -1.34 . . . . 73.42 107.383 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' HB ' HG12 ' A' ' 56' ' ' VAL . 28.3 mm -114.69 120.47 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.421 -0.955 . . . . 72.41 108.421 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 59' ' ' VAL . 34.3 mt -95.71 101.98 13.73 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.013 -1.106 . . . . 74.32 108.013 170.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.88 140.97 28.96 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 107.897 -1.149 . . . . 72.01 107.897 -175.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 11' ' ' SER . 17.4 ptpt -141.09 120.98 13.55 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.77 -0.826 . . . . 75.5 108.77 173.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -129.4 155.39 45.76 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.656 -0.868 . . . . 74.42 108.656 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -54.27 -37.19 64.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 73.41 110.685 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.73 130.61 56.43 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 108.759 -0.83 . . . . 71.12 108.759 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.504 ' HG3' HD22 ' A' ' 42' ' ' LEU . 21.4 tt0 -61.7 -13.71 25.3 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.126 1.158 . . . . 73.34 114.126 -177.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.04 -59.87 2.52 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.993 0.36 . . . . 75.25 111.193 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -68.75 -24.74 64.49 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.276 0.63 . . . . 73.0 110.535 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 39' ' ' GLU . 30.5 tp -54.79 -58.34 7.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.665 -1.152 . . . . 73.0 110.782 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 37.5 tt0 -69.9 -28.26 65.47 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.466 0.479 . . . . 75.4 111.279 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -60.83 -49.76 76.17 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.393 0.615 . . . . 70.04 109.512 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -59.43 -42.89 92.9 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.088 -1.415 . . . . 75.0 110.45 -178.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HA ' HG11 ' A' ' 56' ' ' VAL . 84.0 mt -57.83 -50.76 76.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.661 -1.154 . . . . 74.22 110.925 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.4 mm-40 -66.89 -37.53 84.56 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.13 0.269 . . . . 74.13 111.307 -176.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -65.24 -34.61 78.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.346 0.658 . . . . 74.31 112.183 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HB2' HG22 ' A' ' 56' ' ' VAL . 96.1 mt -81.16 -32.86 33.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.822 0.449 . . . . 74.53 111.137 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -69.44 -28.08 65.81 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 122.159 -0.338 . . . . 74.31 110.411 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.4 t -63.62 -31.22 72.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.865 0.866 . . . . 74.34 111.035 170.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' NE2' HD21 ' A' ' 49' ' ' LEU . 47.6 mt-30 -88.9 14.44 10.41 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.64 0.776 . . . . 75.53 111.488 175.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.55 51.0 13.12 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 123.404 0.44 . . . . 50.31 113.26 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 51.1 m-85 -127.35 142.34 51.47 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.818 0.847 . . . . 74.31 109.109 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.59 83.17 8.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.993 -0.743 . . . . 65.42 108.993 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 49' ' ' LEU . 14.0 t -92.49 136.77 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 114.818 -1.083 . . . . 75.44 110.039 -174.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 19.1 mmt180 -138.57 152.34 48.1 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.371 1.068 . . . . 75.23 110.804 -172.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HG3' HD21 ' A' ' 42' ' ' LEU . 40.1 ttmt -94.83 128.19 41.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.14 -1.391 . . . . 72.34 109.122 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 33' ' ' LEU . 6.9 m -116.79 150.99 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 121.447 0.642 . . . . 75.14 110.795 178.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -77.27 -46.74 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.667 -1.151 . . . . 74.44 110.648 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -172.02 -174.96 1.38 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.748 0.819 . . . . 73.2 109.519 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.51 -35.58 80.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.025 0.75 . . . . 60.11 113.025 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -58.82 -44.31 90.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.698 0.624 . . . . 74.13 109.405 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.06 -33.58 75.83 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.207 -0.906 . . . . 73.34 111.292 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.5 -50.55 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.888 0.875 . . . . 73.23 111.324 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.13 -37.42 80.02 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.818 0.281 . . . . 75.51 111.607 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.25 -31.19 68.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.477 0.711 . . . . 75.1 111.008 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.477 ' O ' HG12 ' A' ' 72' ' ' ILE . 25.9 t90 -68.77 -49.22 60.46 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 75.42 110.274 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.639 HD11 HG11 ' A' ' 7' ' ' VAL . 2.1 mp -72.63 -31.4 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.912 0.485 . . . . 74.32 110.477 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.94 -47.12 52.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.485 1.114 . . . . 71.34 111.59 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -78.18 -30.79 49.24 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.415 -0.811 . . . . 72.34 111.728 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.9 mm -62.18 -42.52 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.177 0.591 . . . . 74.51 110.728 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -67.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.131 -0.941 . . . . 72.42 111.104 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -78.19 -43.22 29.17 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.77 0.828 . . . . 72.34 110.577 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.27 -40.85 94.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.105 0.962 . . . . 62.14 110.434 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HD3' HD21 ' A' ' 79' ' ' LEU . 52.1 mtt180 -123.97 82.78 55.68 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.87 0.868 . . . . 72.23 109.634 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.57 -14.71 11.4 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.936 2.424 . . . . 74.53 113.714 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.86 -5.6 56.68 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.684 0.394 . . . . 75.44 111.934 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD11 HG12 ' A' ' 5' ' ' ILE . 3.5 pp -123.53 150.81 43.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.808 -0.812 . . . . 71.42 108.808 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.485 ' HG3' ' HD3' ' A' ' 4' ' ' LYS . 9.4 pt-20 -99.25 155.88 17.27 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.986 0.515 . . . . 75.14 111.363 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.99 136.82 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 71.44 109.779 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -127.43 119.14 25.47 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.328 0.651 . . . . 71.23 109.945 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.5 mtmt -75.37 135.98 40.81 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.127 0.571 . . . . 74.13 110.625 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.597 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 57.1 t -120.92 95.98 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 124.165 0.986 . . . . 71.33 110.989 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.5 p -81.47 -30.95 33.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.136 0.574 . . . . 75.13 111.425 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 18.6 m-20 -116.15 157.41 24.84 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.382 0.673 . . . . 65.23 111.703 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.56 -45.75 57.26 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.289 1.036 . . . . 71.21 111.088 167.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.52 -20.83 61.99 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.512 -0.767 . . . . 74.41 112.129 -176.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.9 mm100 -70.72 -40.92 72.5 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.315 -0.624 . . . . 75.31 109.315 169.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HB1' HG12 ' A' ' 84' ' ' VAL . . . -68.84 -27.11 65.54 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.413 0.685 . . . . 72.32 112.14 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -78.47 -33.79 48.08 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.618 0.767 . . . . 73.42 110.303 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.29 -47.39 57.13 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.467 0.307 . . . . 74.3 110.243 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 27.4 pt -59.72 -31.85 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.025 0.75 . . . . 74.5 113.025 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.89 -43.32 49.34 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.016 0.526 . . . . 74.14 110.632 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.18 -32.41 26.61 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.96 1.304 . . . . 60.3 110.49 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.611 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 38.8 t70 -73.56 -27.88 61.56 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.654 0.782 . . . . 74.43 111.596 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.75 -18.02 61.54 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 120.914 0.388 . . . . 75.34 110.372 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -88.06 -31.04 19.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.733 0.813 . . . . 75.01 110.388 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -88.39 -76.33 0.4 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.914 0.486 . . . . 74.11 109.901 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -75.69 85.57 2.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.159 0.983 . . . . 75.43 110.516 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.8 66.28 0.41 Allowed Glycine 0 C--N 1.333 0.391 0 N-CA-C 109.09 -1.604 . . . . 54.41 109.09 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.7 p 51.81 73.25 0.33 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.659 1.583 . . . . 75.42 112.203 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.37 -7.02 54.12 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 115.191 -0.913 . . . . 62.31 110.648 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.52 125.71 27.89 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 125.534 1.534 . . . . 75.12 108.354 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.0 -30.37 67.68 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 121.388 0.613 . . . . 64.22 109.425 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -154.96 115.11 3.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.953 1.301 . . . . 75.23 107.815 169.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -64.8 -32.42 74.1 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.376 1.071 . . . . 70.11 112.32 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -151.04 129.43 12.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.401 0.68 . . . . 75.41 109.668 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -79.5 -26.21 41.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.119 0.568 . . . . 75.34 110.371 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.8 t60 . . . . . 0 C--O 1.251 1.135 0 N-CA-C 107.043 -1.466 . . . . 74.25 107.043 176.628 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.567 0.223 . . . . 74.12 110.401 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.33 68.76 0.24 Allowed Glycine 0 C--N 1.34 0.79 0 N-CA-C 109.878 -1.289 . . . . 53.11 109.878 172.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -62.27 141.24 58.35 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.473 0.709 . . . . 75.23 112.279 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -137.74 140.92 40.93 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.128 0.971 . . . . 73.31 108.761 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.448 HD11 HG23 ' A' ' 81' ' ' VAL . 43.7 pt -128.2 157.45 40.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 N-CA-C 108.377 -0.972 . . . . 74.33 108.377 166.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -123.59 138.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.967 -0.753 . . . . 73.23 108.967 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.649 HG23 ' HB2' ' A' ' 31' ' ' TYR . 72.6 t -117.27 113.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 107.186 -1.413 . . . . 70.01 107.186 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 84' ' ' VAL . 35.3 mt -106.79 130.43 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 109.189 -0.671 . . . . 75.4 109.189 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -93.29 86.36 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 107.051 -1.463 . . . . 75.32 107.051 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -88.35 105.88 17.87 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.788 -0.642 . . . . 75.23 109.448 -173.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -133.42 121.38 22.18 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.325 -0.852 . . . . 74.13 109.224 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.98 -68.2 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.78 1.232 . . . . 74.14 112.394 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.73 154.54 38.35 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.312 1.045 . . . . 54.31 111.946 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -106.0 -16.63 14.57 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.262 1.025 . . . . 74.22 112.708 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -54.07 -35.76 62.41 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.25 0.477 . . . . 73.44 111.704 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.19 -39.92 96.02 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.7 0.8 . . . . 75.24 111.171 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.42 -43.54 85.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.033 1.333 . . . . 75.33 111.178 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.41 -42.46 78.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.05 -0.977 . . . . 63.13 111.528 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.91 -40.27 94.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.353 0.661 . . . . 74.0 110.403 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' A' ' 8' ' ' ILE . . . -53.03 -32.41 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.322 1.049 . . . . 64.42 112.619 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 tpt85 -64.79 -28.53 69.63 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 115.155 -0.929 . . . . 75.4 111.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 9.9 mptt -84.65 -32.8 23.45 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.635 0.774 . . . . 72.24 110.158 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.78 -42.83 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.008 0.523 . . . . 75.32 110.432 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -68.04 -25.46 65.38 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.891 0.377 . . . . 74.21 110.763 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.78 -9.99 59.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.947 . . . . 75.23 111.333 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 52.8 mm-40 -74.45 -15.32 60.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.0 0.52 . . . . 75.45 111.302 172.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.38 37.79 4.45 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.075 -0.81 . . . . 72.14 111.075 -173.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 97' ' ' LEU . 10.4 mt -114.58 147.3 39.69 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.375 -0.602 . . . . 75.14 109.375 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -87.86 111.94 21.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.129 -1.063 . . . . 75.35 108.129 168.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.09 131.66 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.818 -0.438 . . . . 74.15 109.818 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' HB2' HG23 ' A' ' 7' ' ' VAL . 40.6 m-85 -108.41 144.1 36.44 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 106.972 -1.492 . . . . 74.41 106.972 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' HG23 ' A' ' 56' ' ' VAL . 25.9 mm -123.93 125.46 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.448 -0.945 . . . . 72.22 108.448 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD13 HG23 ' A' ' 65' ' ' ILE . 38.9 mt -101.89 120.05 39.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.582 0.706 . . . . 72.15 111.106 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD13 ' HG2' ' A' ' 45' ' ' LYS . 1.4 mm? -105.15 122.94 46.95 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.484 -1.234 . . . . 63.14 111.163 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.58 120.26 8.6 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.987 -1.116 . . . . 74.13 107.987 157.427 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -132.61 171.79 13.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.88 1.272 . . . . 75.44 109.558 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -46.18 -47.89 17.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.429 1.491 . . . . 75.03 112.224 175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.21 119.3 28.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.381 -0.827 . . . . 72.11 110.104 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.7 -15.03 62.2 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.525 0.935 . . . . 75.21 113.525 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.58 -49.63 15.87 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.98 0.419 . . . . 74.01 110.083 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -63.52 -29.92 71.12 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.537 -0.756 . . . . 64.51 110.265 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' HG ' HD12 ' A' ' 34' ' ' LEU . 5.4 tt -61.39 -44.85 96.43 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.221 -1.354 . . . . 75.41 110.707 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.2 -35.8 81.52 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.418 0.449 . . . . 74.13 110.603 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.66 -41.67 78.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.77 -0.65 . . . . 75.24 109.964 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -59.76 -38.81 82.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.086 0.954 . . . . 74.14 110.97 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG22 ' HB ' ' A' ' 56' ' ' VAL . 54.1 mt -55.12 -51.26 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 124.089 0.868 . . . . 75.32 109.101 173.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -64.17 -36.43 84.03 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.944 0.498 . . . . 71.42 111.856 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.2 0.6 . . . . 73.13 110.907 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' HG21 ' A' ' 56' ' ' VAL . 90.0 mt -73.41 -36.48 66.01 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.206 -0.906 . . . . 73.41 111.428 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 37.1 mtpt -70.47 -28.26 64.86 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.208 -0.307 . . . . 71.3 110.798 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 t -65.03 -32.5 74.26 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.63 -0.713 . . . . 74.51 111.583 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -77.6 -20.56 53.77 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.913 0.485 . . . . 72.31 111.14 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.93 37.03 1.59 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 123.418 0.449 . . . . 72.23 113.272 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.09 149.46 32.09 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.07 0.548 . . . . 73.42 110.402 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.58 87.45 5.94 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.48 -0.933 . . . . 72.41 108.48 173.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' A' ' 49' ' ' LEU . 20.2 t -93.89 133.05 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 114.94 -1.027 . . . . 71.01 110.071 -172.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -134.58 147.08 50.17 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.963 0.905 . . . . 73.35 110.21 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -88.99 130.39 35.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.299 1.039 . . . . 75.23 109.746 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.43 169.12 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 124.538 1.135 . . . . 73.45 109.585 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -94.23 -61.71 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.514 0.326 . . . . 75.24 111.623 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -137.28 -175.34 4.02 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.521 0.729 . . . . 65.05 110.494 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.425 ' HA ' HD11 ' A' ' 65' ' ' ILE . 6.5 p-10 -66.44 -37.53 85.38 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.89 0.876 . . . . 72.02 111.817 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.27 -36.78 76.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.974 0.416 . . . . 75.31 111.455 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.08 -38.98 79.32 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.27 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.547 HG23 HD13 ' A' ' 33' ' ' LEU . 96.2 mt -60.57 -49.91 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 72.35 110.568 174.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.94 -50.11 71.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.443 1.097 . . . . 72.14 111.485 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.86 -21.32 60.14 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.221 -0.9 . . . . 75.3 111.803 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -68.76 -36.45 78.36 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.734 0.413 . . . . 71.14 110.333 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.65 -36.6 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 122.987 0.515 . . . . 72.32 109.756 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.63 -44.68 93.19 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.419 -0.809 . . . . 72.23 111.562 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 20.8 ptmt -71.11 -25.54 62.64 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.586 -0.245 . . . . 73.13 110.984 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.49 -35.61 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.002 0.521 . . . . 73.55 110.279 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -65.48 -24.19 67.09 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.859 0.464 . . . . 74.12 111.205 174.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -82.87 -41.38 19.05 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.843 0.457 . . . . 74.12 110.687 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.2 mm-40 -66.05 -50.03 65.61 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.308 0.575 . . . . 74.01 111.164 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 87.86 36.28 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 114.858 -1.065 . . . . 73.35 108.439 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.25 -37.02 33.36 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.436 . . . . 74.34 113.696 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.53 -9.85 57.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.708 1.003 . . . . 75.12 113.708 -168.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.59 149.17 30.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.507 0.323 . . . . 71.43 110.289 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -102.06 137.76 39.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.699 0.4 . . . . 64.51 110.834 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 HD11 ' A' ' 5' ' ' ILE . 2.8 t -113.06 126.31 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.436 0.694 . . . . 74.23 109.669 -169.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -110.04 141.45 42.85 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.507 0.723 . . . . 74.21 110.497 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -98.68 114.72 27.34 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.209 -1.034 . . . . 74.45 108.209 169.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 89' ' ' GLN . 78.7 t -115.35 90.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.465 -0.939 . . . . 63.54 108.465 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.689 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 81.4 p -82.24 -21.49 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.558 -0.746 . . . . 75.12 111.943 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.06 160.23 39.56 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.579 0.752 . . . . 64.25 111.133 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -35.02 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 113.868 -1.515 . . . . 74.22 113.12 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.17 -34.81 79.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.41 0.684 . . . . 71.05 111.485 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' HB2' HG13 ' A' ' 84' ' ' VAL . 48.7 mt-30 -69.1 -36.75 77.89 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.431 0.457 . . . . 73.33 110.598 173.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.77 72.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.085 0.554 . . . . 61.11 111.665 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.96 -39.97 65.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.263 0.625 . . . . 75.32 110.09 175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -64.11 -47.32 80.47 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.588 -0.733 . . . . 73.13 110.913 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 pt -64.24 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.597 0.591 . . . . 75.23 112.597 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.47 -37.0 62.25 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.714 0.406 . . . . 74.31 111.353 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 15.5 mm-40 -84.89 -50.72 7.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.328 0.651 . . . . 72.41 110.978 175.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t70 -42.03 -44.67 3.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.674 1.59 . . . . 73.42 113.78 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 28' ' ' LEU . 11.1 mp -68.91 -23.61 64.2 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.62 0.768 . . . . 71.02 111.927 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -85.06 -39.06 18.42 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.635 0.774 . . . . 74.53 109.594 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 72.1 mmtt -67.06 -71.11 0.21 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.324 0.649 . . . . 73.33 109.683 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 171.87 142.19 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.551 1.54 . . . . 74.32 108.569 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -177.59 49.01 0.1 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.43 -0.668 . . . . 72.22 111.43 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.0 m -105.17 -68.03 0.88 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.425 0.69 . . . . 74.43 111.149 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -95.14 6.62 48.56 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.873 0.694 . . . . 75.21 112.873 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.83 0.29 57.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.409 0.684 . . . . 73.14 111.396 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.07 79.88 0.33 Allowed 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 122.693 1.235 . . . . 71.32 111.3 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.54 62.29 1.56 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.206 -0.906 . . . . 75.41 109.125 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -67.04 125.11 24.96 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 114.821 -1.081 . . . . 74.52 108.807 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -76.5 80.97 3.2 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.778 0.674 . . . . 73.45 111.46 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -100.88 88.64 3.61 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.918 -1.141 . . . . 53.02 107.918 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.89 0.876 . . . . 74.51 109.205 -178.317 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' HG3' HD13 ' A' ' 103' ' ' LEU . 22.2 ptp . . . . . 0 C--O 1.245 0.821 0 N-CA-C 109.652 -0.499 . . . . 75.0 109.652 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.98 175.57 29.12 Favored Glycine 0 C--N 1.343 0.928 0 O-C-N 124.022 0.826 . . . . 71.44 113.087 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -83.1 113.49 20.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.391 -0.596 . . . . 63.14 109.391 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HE3' HD13 ' A' ' 28' ' ' LEU . 38.4 ttpt -158.38 142.49 15.69 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.716 0.806 . . . . 64.32 108.917 171.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 29' ' ' GLU . 30.5 pt -125.87 147.86 30.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.371 0.605 . . . . 72.14 109.91 174.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.577 ' HB ' HG23 ' A' ' 30' ' ' VAL . 47.5 mm -117.72 120.42 64.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.633 -0.877 . . . . 74.13 108.633 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 31' ' ' TYR . 40.2 t -105.16 114.93 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.454 -0.943 . . . . 75.53 108.454 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -104.24 130.83 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.485 -0.561 . . . . 72.21 109.485 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.66 86.05 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 105.553 -2.017 . . . . 74.34 105.553 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.509 ' HB3' HD23 ' A' ' 34' ' ' LEU . 33.1 t -77.68 104.73 8.39 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.452 -0.573 . . . . 75.43 109.452 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 p -80.86 -153.9 0.1 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.485 1.114 . . . . 72.13 111.266 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.79 -29.65 68.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.43 1.092 . . . . 75.13 112.671 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.98 150.41 25.66 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.373 0.606 . . . . 64.44 112.059 -171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -90.21 -14.18 33.99 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.439 -1.255 . . . . 75.14 111.234 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.3 m -53.81 -35.41 61.38 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 123.378 0.671 . . . . 73.13 111.732 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.6 -30.21 64.17 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.379 0.272 . . . . 65.33 110.366 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.55 -46.61 58.99 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.303 1.041 . . . . 75.53 111.016 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.96 -39.92 79.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.617 0.367 . . . . 72.42 111.169 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' ILE . 79.1 mt -68.02 -36.02 79.27 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.418 -0.355 . . . . 75.44 110.492 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.44 64.54 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 74.24 112.914 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -69.57 -33.58 72.93 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.156 -0.929 . . . . 72.45 110.984 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -80.71 -23.28 39.63 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.609 -0.723 . . . . 73.54 110.959 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.512 HD12 HD11 ' A' ' 93' ' ' ILE . 75.4 mt -65.98 -56.68 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 122.848 0.459 . . . . 63.34 110.245 172.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 30' ' ' VAL . 12.9 ptpt -63.19 -20.32 65.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.717 0.636 . . . . 64.43 112.717 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.37 -25.79 60.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.435 1.094 . . . . 75.45 112.059 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.43 -6.76 42.75 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.938 0.895 . . . . 74.3 112.725 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.34 33.59 4.49 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 123.084 0.373 . . . . 64.45 113.271 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD13 ' HE3' ' A' ' 4' ' ' LYS . 1.6 pt? -128.91 176.52 7.8 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.123 0.969 . . . . 74.44 109.154 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' ILE . 16.9 tp10 -98.33 150.8 21.19 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.678 0.391 . . . . 75.05 110.487 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' HB ' ' A' ' 6' ' ' ILE . 54.5 t -126.24 127.14 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.849 0.86 . . . . 74.34 109.672 174.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.527 ' HB2' HG21 ' A' ' 7' ' ' VAL . 1.4 m-85 -102.28 151.88 21.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.052 -1.462 . . . . 75.43 107.052 172.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' HB ' HG23 ' A' ' 56' ' ' VAL . 26.8 mm -125.81 127.73 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.929 -0.767 . . . . 74.13 108.929 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 65' ' ' ILE . 36.8 mt -98.76 108.16 20.78 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.147 -0.686 . . . . 75.44 109.147 166.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -88.14 127.79 35.43 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.446 -1.252 . . . . 73.31 109.485 -175.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -126.16 120.33 29.82 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.793 -0.818 . . . . 70.23 108.793 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 12.4 t70 -133.14 147.52 52.09 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.658 -1.608 . . . . 74.02 106.658 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.22 -16.0 63.8 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.666 0.604 . . . . 74.35 111.752 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -119.58 108.8 14.93 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 107.41 -1.33 . . . . 65.1 107.41 171.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -12.83 19.56 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.814 1.042 . . . . 74.43 113.814 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -78.94 -49.42 12.82 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.361 -0.607 . . . . 74.3 109.361 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.95 -32.27 73.67 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.273 -0.876 . . . . 74.11 109.797 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 6.6 tt -54.71 -52.45 62.42 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.98 1.312 . . . . 74.12 109.44 170.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.37 -25.68 63.37 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.242 -0.89 . . . . 73.34 112.279 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.3 mt-10 -66.2 -48.88 69.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.482 -0.562 . . . . 75.11 109.482 170.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.98 -32.5 72.96 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.295 0.997 . . . . 74.31 111.384 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' A' ' 56' ' ' VAL . 56.2 mt -55.92 -53.71 35.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 123.461 0.704 . . . . 74.4 109.605 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.27 -34.57 78.43 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.645 -0.707 . . . . 75.44 111.98 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 11.4 mmpt? -64.67 -46.0 84.31 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.389 0.614 . . . . 74.3 110.635 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 56' ' ' VAL . 98.9 mt -72.59 -38.63 67.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.896 -1.047 . . . . 71.1 111.249 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.0 mtpt -66.81 -27.55 67.66 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.003 -0.435 . . . . 75.31 111.768 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 m -58.62 -34.76 71.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.838 0.455 . . . . 75.01 111.974 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.07 -12.69 60.01 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.277 0.631 . . . . 73.42 111.381 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.79 55.7 1.06 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 112.081 -0.408 . . . . 74.21 112.081 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.04 161.42 24.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.777 0.831 . . . . 74.22 109.479 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -102.31 96.12 6.74 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.37 -0.974 . . . . 75.33 108.37 167.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 49' ' ' LEU . 15.3 t -102.91 139.48 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.532 0.733 . . . . 73.13 109.441 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -135.36 146.5 48.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.778 0.831 . . . . 71.5 110.046 -173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -91.58 131.53 36.93 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.013 0.925 . . . . 74.42 109.427 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.68 152.31 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.151 0.981 . . . . 75.35 109.034 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -24.69 38.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.574 0.35 . . . . 73.35 111.481 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -167.49 165.8 14.56 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.022 0.529 . . . . 75.34 111.321 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 24.4 t70 -66.44 -35.45 80.33 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.53 1.132 . . . . 74.2 111.91 177.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.69 -39.15 73.31 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.861 -0.609 . . . . 64.23 110.903 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.47 -35.65 75.81 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.342 -0.845 . . . . 75.3 110.403 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 33' ' ' LEU . 32.7 mt -54.13 -50.14 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 124.266 0.979 . . . . 72.55 111.733 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.19 -39.34 92.39 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.246 0.218 . . . . 74.02 111.277 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -33.67 74.29 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 123.561 0.538 . . . . 75.4 110.605 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -64.44 -40.17 95.24 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.79 1.236 . . . . 72.11 109.882 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.594 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -40.13 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.516 0.727 . . . . 74.13 110.072 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 18.3 t70 -57.62 -43.87 85.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.107 0.963 . . . . 75.23 111.223 -173.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 8.2 ptpp? -68.56 -42.38 78.43 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.233 -0.894 . . . . 64.14 111.459 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.67 -33.81 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 123.122 0.569 . . . . 72.25 111.359 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 58.5 mtmt -60.52 -33.54 72.79 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.536 0.334 . . . . 71.33 110.881 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.85 -45.92 16.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.112 0.965 . . . . 73.1 110.364 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 37.3 mm-40 -56.71 -55.37 35.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.248 1.019 . . . . 63.45 110.062 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -121.53 81.18 39.31 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 114.588 -1.187 . . . . 71.43 107.895 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.53 -5.85 17.47 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.682 2.255 . . . . 74.11 112.194 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.81 -20.42 63.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.235 1.014 . . . . 71.55 111.936 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -126.3 150.71 48.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.622 0.769 . . . . 62.3 111.364 -174.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 25.5 mm-40 -84.55 149.78 25.67 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.822 -0.807 . . . . 72.11 108.822 172.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.26 106.32 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 108.046 -1.094 . . . . 73.02 108.046 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -103.8 134.56 46.89 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.364 0.666 . . . . 75.23 109.573 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HG2' HG12 ' A' ' 69' ' ' ILE . 27.2 mtmm -94.09 111.09 22.77 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.41 -0.589 . . . . 75.11 109.41 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 90' ' ' ALA . 59.0 t -98.29 91.21 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.326 -0.99 . . . . 73.52 108.326 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.6 p -84.68 -16.95 40.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.842 -1.072 . . . . 73.12 111.42 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.45 152.22 51.66 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.108 0.963 . . . . 74.24 109.351 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -30.16 59.99 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.174 0.59 . . . . 73.41 110.959 169.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.92 -42.42 93.91 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.163 1.385 . . . . 73.23 111.424 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HB2' HG12 ' A' ' 84' ' ' VAL . 20.5 mm-40 -60.91 -40.94 95.03 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.972 0.795 . . . . 74.43 110.711 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.27 -39.21 89.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.456 0.702 . . . . 72.31 111.956 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -70.1 -34.26 72.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.631 0.772 . . . . 74.23 110.595 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.78 -50.99 37.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.576 -0.738 . . . . 73.13 110.076 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.512 HD11 HD12 ' A' ' 23' ' ' ILE . 24.6 pt -64.45 -28.65 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.017 0.376 . . . . 74.33 112.017 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 33.3 mt -54.62 -54.55 40.06 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.927 0.331 . . . . 74.33 111.202 171.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 6.8 pt-20 -74.37 -27.26 60.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.282 0.364 . . . . 73.33 110.991 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 19.4 t70 -64.76 -45.23 87.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.956 0.902 . . . . 74.25 110.757 -176.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 93' ' ' ILE . 11.1 mp -67.18 -21.78 65.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.944 -0.571 . . . . 71.13 110.944 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.3 mmmt -81.5 -35.96 29.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.828 0.451 . . . . 64.14 110.415 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 9.0 mtpm? -58.28 -45.97 86.92 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.074 -0.966 . . . . 72.3 109.251 172.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.6 tptt 168.93 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.386 1.875 . . . . 73.52 108.15 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.8 -112.6 3.66 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 109.761 -1.336 . . . . 73.11 109.761 -165.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.6 p -175.17 -67.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.432 0.693 . . . . 65.43 110.493 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.436 HD13 ' HG3' ' A' ' 1' ' ' MET . 96.0 mt 72.57 -66.48 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.256 1.823 . . . . 72.22 109.066 -170.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 47.14 32.38 2.0 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.586 1.554 . . . . 73.42 113.462 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -86.6 77.97 9.27 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.566 0.698 . . . . 73.54 110.679 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -82.29 152.75 26.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.128 -1.064 . . . . 72.24 108.128 166.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.9 t60 78.59 -11.97 1.14 Allowed 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 125.331 1.452 . . . . 70.23 110.929 -169.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -95.4 100.45 12.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.379 1.071 . . . . 72.41 109.441 -176.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.55 -32.92 9.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.693 0.797 . . . . 71.51 109.643 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 123.513 0.725 . . . . 72.01 109.472 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.0 mpp? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 108.72 -0.844 . . . . 72.55 108.72 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.85 48.13 3.47 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.48 -0.648 . . . . 75.11 111.48 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -77.67 107.07 9.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.654 0.781 . . . . 74.23 109.932 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.2 ttpp -166.16 135.03 3.07 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.201 -1.037 . . . . 74.32 108.201 174.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 81' ' ' VAL . 40.6 pt -119.27 149.3 21.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-O 121.636 0.732 . . . . 75.42 110.385 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -119.92 111.61 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 108.246 -1.02 . . . . 72.54 108.246 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.754 HG11 HD12 ' A' ' 69' ' ' ILE . 71.2 t -87.64 118.53 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.832 0.853 . . . . 73.03 109.407 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 56.1 mt -111.72 126.86 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.261 0.624 . . . . 73.23 109.393 -177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.623 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -96.95 93.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 105.823 -1.917 . . . . 71.44 105.823 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.504 ' HB2' HD21 ' A' ' 34' ' ' LEU . 42.5 m -101.43 121.97 42.9 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.568 -0.901 . . . . 71.12 108.568 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 p -138.69 113.53 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.904 -1.044 . . . . 74.15 109.326 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 75.49 -61.22 0.48 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.633 1.573 . . . . 74.15 112.508 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.26 136.98 52.69 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.98 0.912 . . . . 75.12 111.355 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -90.49 -21.34 21.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.539 0.736 . . . . 73.4 112.4 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.457 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.5 m -56.94 -36.1 69.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.743 0.417 . . . . 75.54 111.728 -175.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.76 -30.81 71.12 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.011 0.524 . . . . 71.41 110.902 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.27 -36.34 66.33 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.581 1.152 . . . . 70.01 110.329 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.17 -36.47 64.07 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.617 -0.72 . . . . 65.1 110.652 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 94' ' ' LEU . 93.9 mt -74.11 -27.31 60.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.577 0.751 . . . . 71.14 110.062 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.82 76.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.116 0.967 . . . . 73.43 111.521 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -62.29 -43.19 99.39 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.011 -0.995 . . . . 75.43 111.0 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 11.4 mmpt? -63.28 -35.17 79.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.85 0.46 . . . . 74.44 111.255 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.608 HG23 HD12 ' A' ' 28' ' ' LEU . 80.2 mt -73.88 -32.75 35.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.893 0.877 . . . . 72.55 111.923 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE3' ' CE1' ' A' ' 54' ' ' PHE . 16.5 ptpt -75.42 -22.16 57.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.447 -0.783 . . . . 73.23 110.604 174.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.67 -10.27 59.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.314 0.645 . . . . 74.15 111.599 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -77.49 -1.93 32.92 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.335 0.654 . . . . 74.05 110.911 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 29.4 29.69 Favored Glycine 0 C--N 1.353 1.476 0 C-N-CA 122.944 0.307 . . . . 73.14 112.777 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 HG23 ' A' ' 23' ' ' ILE . 4.5 pp -128.57 166.94 17.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.807 0.443 . . . . 74.23 111.547 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.06 130.36 34.52 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.947 0.899 . . . . 60.1 109.963 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -109.09 131.25 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.758 0.823 . . . . 73.51 110.06 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -104.93 140.71 37.76 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 107.409 -1.33 . . . . 55.21 107.409 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.7 mm -123.61 120.91 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 108.605 -0.887 . . . . 73.55 108.605 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 65' ' ' ILE . 33.1 mt -102.58 106.6 17.31 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.314 -0.995 . . . . 72.14 108.314 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' A' ' 10' ' ' SER . 0.2 OUTLIER -97.54 132.99 42.71 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -139.07 129.58 25.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.164 0.586 . . . . 75.45 109.944 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.541 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 36.3 t70 -133.28 168.95 17.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.432 1.093 . . . . 75.32 109.906 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -55.38 -37.1 67.12 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.783 1.233 . . . . 74.42 112.192 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' OD1' ' HG2' ' A' ' 40' ' ' LYS . 14.0 t70 -133.58 129.92 37.67 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.99 0.516 . . . . 74.42 110.492 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -62.72 -28.87 70.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.881 1.808 . . . . 72.33 115.881 -173.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HG2' ' OD1' ' A' ' 38' ' ' ASP . 5.4 ptpp? -81.68 -34.8 30.49 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.751 1.159 . . . . 73.44 109.984 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -65.8 -38.31 88.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.921 0.889 . . . . 74.25 110.373 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 13.5 tp -55.84 -45.03 78.52 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.662 1.585 . . . . 74.32 111.997 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.39 -18.3 63.04 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.68 0.612 . . . . 73.15 111.724 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -68.32 -51.81 40.5 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.373 -0.602 . . . . 72.21 109.373 173.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.92 -42.14 88.96 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.555 -1.202 . . . . 74.41 110.899 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 ' HA ' HG12 ' A' ' 56' ' ' VAL . 67.2 mt -55.63 -50.48 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.297 1.039 . . . . 72.34 111.277 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -70.07 -28.78 65.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.747 0.419 . . . . 74.5 112.003 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.3 -38.0 84.29 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.815 0.446 . . . . 74.33 111.433 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HB2' HG22 ' A' ' 56' ' ' VAL . 92.1 mt -80.58 -31.38 36.82 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.869 -0.605 . . . . 74.02 111.452 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -65.69 -35.06 79.68 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.068 0.547 . . . . 73.55 111.047 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -29.86 70.26 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.692 0.797 . . . . 75.21 111.388 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.514 ' NE2' HD22 ' A' ' 49' ' ' LEU . 49.1 mt-30 -85.71 3.33 41.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.828 0.851 . . . . 73.21 111.902 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.32 41.23 9.38 Favored Glycine 0 C--N 1.346 1.102 0 C-N-CA 122.74 0.21 . . . . 74.52 113.46 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE1' ' HE3' ' A' ' 24' ' ' LYS . 96.3 m-85 -114.54 141.79 47.26 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.46 0.704 . . . . 71.33 109.654 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.39 81.91 4.7 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 108.937 -0.764 . . . . 74.44 108.937 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 49' ' ' LEU . 4.4 t -100.43 135.62 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.132 0.573 . . . . 73.4 110.307 -171.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' HG3' ' CZ2' ' A' ' 68' ' ' TRP . 3.5 mmp_? -133.66 161.22 35.24 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.561 0.744 . . . . 75.42 112.099 -167.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.55 117.1 29.6 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 113.967 -1.47 . . . . 75.25 107.949 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.62 162.96 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.38 0.672 . . . . 71.02 109.767 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -86.62 -65.91 0.96 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.238 0.615 . . . . 74.52 109.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.71 -170.16 3.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.29 -1.323 . . . . 74.12 108.157 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 35.5 t70 -70.07 -18.36 63.27 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.367 0.667 . . . . 74.14 111.961 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.76 -45.93 48.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.82 0.448 . . . . 74.43 110.219 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.72 -34.7 78.93 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.422 0.63 . . . . 74.35 110.556 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 87.3 mt -66.74 -37.56 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 114.037 -1.438 . . . . 51.14 110.147 175.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.79 -46.86 87.89 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.699 0.8 . . . . 63.35 111.398 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.53 -32.11 72.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.991 0.516 . . . . 75.43 110.224 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.543 ' CZ2' ' HG3' ' A' ' 57' ' ' ARG . 8.1 t90 -67.94 -42.89 80.29 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.396 -0.82 . . . . 74.2 110.774 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.754 HD12 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -75.95 -32.87 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.923 0.489 . . . . 70.14 110.175 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.97 -53.75 53.09 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.693 0.797 . . . . 64.24 111.246 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.69 -37.69 85.08 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.554 0.534 . . . . 73.13 111.497 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.56 -45.32 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.69 0.796 . . . . 72.33 110.607 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HE3' HG23 ' A' ' 81' ' ' VAL . 5.7 mmpt? -65.08 -34.15 77.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.031 0.532 . . . . 75.11 112.133 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -76.28 -42.28 46.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.517 0.727 . . . . 75.13 111.521 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -80.48 -46.62 15.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.869 0.867 . . . . 74.34 111.22 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -124.28 92.26 48.41 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.541 0.737 . . . . 72.5 109.857 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.83 -168.15 0.59 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.707 2.271 . . . . 55.4 110.503 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 73.06 -24.1 0.2 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.28 1.432 . . . . 75.33 113.051 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -105.64 131.44 53.01 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.125 -1.065 . . . . 73.41 108.125 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -85.59 144.62 27.78 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.074 -0.343 . . . . 72.53 110.074 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG21 HD11 ' A' ' 5' ' ' ILE . 42.6 t -117.17 124.88 73.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 124.108 0.963 . . . . 71.25 108.988 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -120.85 112.52 18.91 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.985 0.914 . . . . 74.45 108.793 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.4 mtmt -75.63 124.96 28.11 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.981 0.801 . . . . 75.33 109.737 171.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.489 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 89.2 t -114.04 88.49 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 65.24 108.001 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.623 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.2 p -79.92 -36.23 36.68 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 120.621 0.248 . . . . 75.13 110.751 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -116.66 153.25 32.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.376 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -55.71 -38.64 69.99 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.868 1.267 . . . . 71.23 112.163 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.59 -37.44 58.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.332 1.053 . . . . 74.34 112.342 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' HB2' HG11 ' A' ' 84' ' ' VAL . 66.4 mt-30 -71.59 -40.52 69.81 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.309 -0.86 . . . . 71.22 110.646 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' ' 84' ' ' VAL . . . -62.6 -37.24 85.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.645 0.778 . . . . 62.12 111.269 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.12 -35.6 56.18 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.604 0.761 . . . . 75.13 110.983 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -71.25 -43.91 66.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.557 0.343 . . . . 74.21 111.1 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 26.7 pt -65.05 -25.88 38.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 112.43 0.53 . . . . 74.14 112.43 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.65 HD13 HD21 ' A' ' 19' ' ' LEU . 96.9 mt -56.0 -39.09 71.37 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.051 0.387 . . . . 71.53 111.302 170.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.47 -37.49 56.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.417 1.087 . . . . 65.23 110.797 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.574 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 27.8 t70 -68.26 -37.66 80.97 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.267 1.027 . . . . 74.21 111.961 -172.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 93' ' ' ILE . 8.5 mp -75.76 -19.47 59.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.788 0.835 . . . . 75.42 110.533 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -78.63 -41.73 30.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.691 . . . . 75.21 109.169 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.81 -34.39 76.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.452 1.101 . . . . 72.5 112.369 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.1 OUTLIER 65.59 19.44 11.48 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 124.324 1.05 . . . . 74.45 110.217 -167.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.55 28.27 8.57 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 115.996 -0.547 . . . . 63.25 113.076 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.8 m -65.38 -15.9 63.05 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.801 1.24 . . . . 74.02 112.615 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.8 -60.01 2.85 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.379 1.072 . . . . 63.01 110.248 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.78 -23.84 60.85 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.205 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -71.79 -22.65 61.55 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.572 0.749 . . . . 74.12 111.681 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 157.15 37.89 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.702 0.287 . . . . 73.23 110.784 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -116.48 146.8 42.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.665 -0.865 . . . . 73.54 108.665 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -68.24 89.02 0.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.771 . . . . 75.31 109.374 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -95.33 178.68 5.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.127 0.971 . . . . 75.34 111.004 -176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.228 -1.027 . . . . 73.53 108.228 171.334 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.059 -0.719 . . . . 73.14 109.059 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.61 -64.37 4.31 Favored Glycine 0 C--N 1.349 1.297 0 N-CA-C 111.961 -0.456 . . . . 70.22 111.961 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -71.09 85.41 0.73 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 108.897 -0.779 . . . . 75.52 108.897 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 17.3 ttmm -98.34 132.43 43.82 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 107.98 -1.119 . . . . 72.32 107.98 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.515 HG21 ' HB3' ' A' ' 29' ' ' GLU . 23.5 pt -110.89 139.25 35.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-O 121.577 0.703 . . . . 74.4 109.181 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mm -113.49 130.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.124 -1.065 . . . . 75.14 108.124 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.59 110.13 31.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 108.421 -0.955 . . . . 73.12 108.421 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 68.4 mt -103.69 124.23 57.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 C-N-CA 124.622 1.169 . . . . 72.24 109.494 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.9 mp -93.12 101.05 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.669 -1.604 . . . . 72.24 106.669 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.444 ' HB3' HD21 ' A' ' 34' ' ' LEU . 36.3 t -98.02 104.07 16.07 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.224 -1.028 . . . . 65.41 108.224 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -89.62 73.35 7.72 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.761 -0.829 . . . . 65.5 108.761 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.85 22.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.198 1.799 . . . . 64.22 114.049 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.06 -178.87 7.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.996 0.918 . . . . 74.43 110.962 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -109.07 -48.29 3.29 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 124.282 1.033 . . . . 73.01 110.722 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -56.09 -42.74 77.2 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.966 1.098 . . . . 74.13 113.966 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.55 -20.72 58.46 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 122.123 -0.361 . . . . 73.51 110.593 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.05 -53.01 16.21 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 120.889 0.376 . . . . 72.41 110.287 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.28 -36.38 82.81 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.072 -0.513 . . . . 74.24 110.906 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.94 -36.52 83.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.192 0.597 . . . . 71.54 110.715 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.63 -35.39 65.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.088 0.955 . . . . 71.23 112.492 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -66.16 -41.61 90.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.532 0.733 . . . . 71.14 111.121 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -36.0 72.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.526 0.73 . . . . 75.05 111.147 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 93' ' ' ILE . 87.3 mt -65.37 -47.34 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.984 0.914 . . . . 75.22 110.933 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -71.85 -21.31 61.69 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.666 0.247 . . . . 75.32 111.666 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.84 -14.64 62.92 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.9 0.88 . . . . 74.2 111.413 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.728 ' HG3' HD22 ' A' ' 97' ' ' LEU . 8.5 mm-40 -85.24 5.87 28.44 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.642 0.777 . . . . 72.04 110.837 174.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.9 5.17 64.55 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.324 0.488 . . . . 40.13 112.559 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 HD21 ' A' ' 97' ' ' LEU . 16.2 mt -78.4 143.66 36.6 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.931 0.493 . . . . 74.52 110.635 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HB3' HG21 ' A' ' 5' ' ' ILE . 43.5 tt0 -89.2 118.12 28.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.288 -1.004 . . . . 74.31 108.288 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -116.96 125.75 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.055 0.542 . . . . 73.14 110.85 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -105.6 132.87 51.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.225 1.41 . . . . 71.4 107.283 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.522 ' HB ' HG21 ' A' ' 56' ' ' VAL . 19.1 mm -109.32 124.65 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.934 -0.765 . . . . 72.23 108.934 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD11 HG11 ' A' ' 59' ' ' VAL . 50.0 mt -96.46 110.87 23.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.012 -0.736 . . . . 74.21 109.012 171.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -100.79 128.15 46.95 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.815 -1.084 . . . . 75.54 108.821 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 137.11 38.41 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.679 -0.86 . . . . 74.41 108.679 166.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 17.4 t70 -131.3 171.47 13.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.874 1.27 . . . . 64.12 108.035 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.94 -17.77 56.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.428 0.291 . . . . 73.54 111.008 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -143.49 140.08 30.14 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.792 0.806 . . . . 73.01 111.244 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.55 -28.95 69.7 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 113.74 -1.573 . . . . 65.51 113.751 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -78.71 -38.41 39.11 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.215 0.461 . . . . 75.53 111.925 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -72.69 -34.94 67.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.101 -0.703 . . . . 75.35 109.101 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 22.5 tp -56.65 -54.8 41.91 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.674 -1.148 . . . . 75.12 111.788 174.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.41 -31.61 70.54 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.855 0.862 . . . . 64.3 111.023 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.1 mm-40 -60.63 -62.37 1.91 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.837 -0.431 . . . . 75.21 109.837 173.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -55.09 -38.86 68.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.612 1.165 . . . . 63.21 112.097 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.6 mt -56.96 -57.22 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.863 0.727 . . . . 74.15 110.049 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -67.16 -28.2 67.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.342 -0.845 . . . . 73.2 112.297 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 66.4 mmtt -66.21 -52.66 45.78 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.17 -0.678 . . . . 75.11 109.17 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HB2' HG22 ' A' ' 56' ' ' VAL . 80.6 mt -66.53 -29.65 69.79 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.153 -0.93 . . . . 74.13 111.844 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 45.6 mtpt -73.0 -35.22 66.8 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.17 0.441 . . . . 74.24 111.115 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -63.27 -33.7 76.07 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.27 0.628 . . . . 74.22 110.633 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.42 -21.26 62.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.64 0.776 . . . . 73.45 111.437 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.6 20.98 6.66 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 113.949 0.34 . . . . 54.32 113.949 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 88.1 m-85 -103.33 137.88 40.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.576 0.75 . . . . 75.32 109.438 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.35 89.31 6.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.112 -0.699 . . . . 74.04 109.112 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG22 ' HB2' ' A' ' 49' ' ' LEU . 14.8 t -99.72 132.53 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.533 -0.758 . . . . 65.24 109.771 -175.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.05 153.16 48.05 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 123.415 0.686 . . . . 75.34 110.795 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HG3' HD22 ' A' ' 42' ' ' LEU . 63.6 tttm -89.94 127.41 36.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.998 -1.455 . . . . 74.55 109.587 -173.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG11 HD11 ' A' ' 33' ' ' LEU . 6.5 m -114.94 151.18 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.834 0.854 . . . . 73.24 110.401 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -66.41 -74.8 0.1 Allowed 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.799 0.687 . . . . 74.01 109.809 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.36 -178.15 4.13 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.953 0.901 . . . . 70.54 109.357 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HA ' HD13 ' A' ' 65' ' ' ILE . 14.9 m-20 -66.2 -34.08 77.21 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.802 -0.444 . . . . 74.23 109.802 167.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.4 -48.11 13.57 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 114.68 -1.145 . . . . 70.53 111.269 163.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 33.4 t70 -81.95 -19.9 39.69 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.913 0.485 . . . . 63.11 110.724 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 62' ' ' ASP . 60.6 mt -64.25 -55.48 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.338 0.655 . . . . 75.22 110.375 172.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.52 -34.05 77.32 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.097 0.475 . . . . 75.42 110.349 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 64' ' ' ASP . 33.2 ttpt -71.12 -29.19 64.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.325 1.05 . . . . 65.2 110.718 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.468 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.6 t90 -68.36 -42.4 79.27 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 123.288 0.635 . . . . 74.13 109.816 174.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.547 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -72.37 -30.78 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 108.99 -0.744 . . . . 73.11 108.99 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.05 -50.54 70.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.932 0.893 . . . . 65.34 111.081 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.15 -35.36 71.65 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.345 0.403 . . . . 74.34 110.93 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -63.33 -43.36 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 122.735 0.414 . . . . 75.24 111.267 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.08 -33.95 76.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.44 0.696 . . . . 74.4 110.676 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -72.69 -36.35 67.85 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.231 1.012 . . . . 75.21 110.785 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.27 -34.5 36.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.108 0.963 . . . . 73.24 110.267 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -128.94 71.45 81.78 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 124.161 0.984 . . . . 75.0 109.613 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.27 4.59 6.96 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.466 2.111 . . . . 70.32 112.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.75 -11.99 46.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.912 0.885 . . . . 74.24 111.707 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.34 176.04 6.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.368 0.667 . . . . 74.23 110.885 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 4.3 pt-20 -120.58 127.1 51.82 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.041 0.936 . . . . 73.41 109.467 -173.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.05 136.24 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.5 1.12 . . . . 63.13 109.662 -173.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.2 tpt180 -118.48 136.92 53.53 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.642 0.777 . . . . 73.14 109.881 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HG2' HG12 ' A' ' 69' ' ' ILE . 29.9 mtmm -92.55 116.77 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 72.55 108.916 171.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 65.1 t -105.8 90.85 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 123.914 0.886 . . . . 72.01 108.763 175.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.411 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 40.3 p -92.67 -20.68 20.58 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.795 0.438 . . . . 75.42 110.821 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -117.25 151.73 36.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.517 1.127 . . . . 75.34 108.992 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -32.47 71.42 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.889 0.476 . . . . 73.2 109.934 166.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.69 -50.94 41.7 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 124.827 1.251 . . . . 74.2 109.977 171.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.49 -43.16 93.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.303 1.002 . . . . 75.33 111.291 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB3' HG11 ' A' ' 84' ' ' VAL . . . -66.9 -32.67 74.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.294 0.638 . . . . 74.01 111.894 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -78.9 -35.37 43.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.54 0.736 . . . . 74.21 110.802 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -69.27 -45.18 70.3 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.516 0.727 . . . . 73.11 111.295 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 23' ' ' ILE . 37.5 pt -61.86 -33.68 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.832 0.707 . . . . 74.12 112.051 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.69 -40.26 68.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.015 0.371 . . . . 73.43 110.434 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.58 -34.91 58.43 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 75.04 111.072 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 80.5 m-20 -68.81 -22.34 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.56 0.744 . . . . 70.51 110.682 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.728 HD22 ' HG3' ' A' ' 26' ' ' GLU . 1.7 mp -72.1 -42.49 66.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.407 1.083 . . . . 74.34 109.953 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.79 -45.62 28.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.777 -0.647 . . . . 65.22 110.837 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 96' ' ' ASP . 16.7 ptpt -74.17 -3.12 27.8 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.367 -0.833 . . . . 74.11 111.224 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt 45.9 51.21 10.78 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.334 1.854 . . . . 64.52 112.449 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.85 117.26 9.72 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 114.13 -1.395 . . . . 75.14 111.94 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 p -62.23 159.42 14.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.168 0.987 . . . . 72.25 111.987 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.73 -26.79 65.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.102 0.561 . . . . 62.1 111.18 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.636 ' HB2' ' HD2' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -71.82 138.94 48.69 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 106.873 -1.528 . . . . 73.43 106.873 168.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -96.46 61.57 1.98 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.982 0.42 . . . . 72.34 110.429 -171.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 58.69 29.15 18.2 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.736 1.214 . . . . 75.42 111.237 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.636 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 4.4 p80 -72.26 -11.41 60.7 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.797 0.439 . . . . 72.34 111.247 -174.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -48.94 -44.58 40.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.424 1.09 . . . . 74.32 109.957 169.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 68.17 168.92 0.27 Allowed 'General case' 0 N--CA 1.486 1.34 0 O-C-N 124.645 1.215 . . . . 62.44 112.088 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.253 1.277 0 N-CA-C 109.218 -0.66 . . . . 71.44 109.218 172.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.615 -0.142 . . . . 72.22 110.615 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.63 -71.77 1.82 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 110.54 -1.024 . . . . 70.43 110.54 -172.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -142.35 154.8 44.96 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.43 1.092 . . . . 72.04 109.233 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 79.4 tttt -132.33 152.47 51.39 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 106.468 -1.679 . . . . 74.01 106.468 160.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 49.5 pt -129.4 147.04 33.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.996 0.903 . . . . 73.31 111.708 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.32 122.89 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 113.933 -1.485 . . . . 75.3 107.218 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.497 HG13 HD11 ' A' ' 69' ' ' ILE . 76.3 t -109.11 112.23 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 108.181 -1.044 . . . . 75.4 108.181 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.51 HD13 ' HB1' ' A' ' 20' ' ' ALA . 35.4 mt -106.55 122.19 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.551 0.74 . . . . 75.1 109.864 -173.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.404 HG13 HD13 ' A' ' 65' ' ' ILE . 3.1 mp -89.13 99.45 9.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 105.89 -1.892 . . . . 74.15 105.89 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -90.59 111.02 22.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.121 0.486 . . . . 61.21 110.266 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 m -123.31 113.29 18.67 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.679 -1.23 . . . . 71.51 107.679 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.65 -78.28 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.114 1.366 . . . . 72.13 112.225 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.78 134.42 49.72 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 61.54 112.886 -165.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -85.16 -22.93 28.6 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.82 1.248 . . . . 75.0 112.751 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -63.76 -25.63 68.27 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.657 0.614 . . . . 74.35 112.657 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.1 -42.28 94.36 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.244 0.545 . . . . 75.44 110.026 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.96 -29.42 58.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.644 1.178 . . . . 73.32 110.705 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -66.67 -46.53 75.38 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.879 -0.6 . . . . 73.41 109.514 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 HD11 ' A' ' 94' ' ' LEU . 95.7 mt -64.68 -32.9 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.181 0.992 . . . . 74.33 110.685 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.51 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -59.94 -33.24 71.63 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.186 0.994 . . . . 72.35 111.735 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -72.16 -25.2 61.6 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.245 -0.888 . . . . 75.34 110.958 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 12.8 mptt -79.6 -38.15 34.6 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.464 0.306 . . . . 73.2 110.412 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 20' ' ' ALA . 97.5 mt -58.61 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.001 0.92 . . . . 75.15 110.571 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -56.98 -24.32 52.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 113.068 0.766 . . . . 74.24 113.068 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.67 -19.58 65.81 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.117 0.967 . . . . 73.45 111.979 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' HG3' HD23 ' A' ' 97' ' ' LEU . 25.7 mm-40 -77.78 -4.44 46.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.502 0.721 . . . . 54.22 112.035 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.43 32.99 9.7 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.182 0.301 . . . . 75.51 113.569 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.5 pt? -127.28 147.96 50.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.853 0.861 . . . . 64.0 109.165 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 5' ' ' ILE . 29.8 tt0 -76.17 142.51 41.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.244 0.618 . . . . 71.13 110.392 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 20' ' ' ALA . 58.0 t -121.94 127.97 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.939 0.496 . . . . 73.21 109.892 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.449 ' HE2' HG22 ' A' ' 5' ' ' ILE . 80.2 m-85 -104.04 141.45 36.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.02 -1.104 . . . . 74.21 108.02 175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 HG23 HD21 ' A' ' 34' ' ' LEU . 13.6 mm -122.62 111.68 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 108.081 -1.081 . . . . 74.35 108.081 175.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 mt -90.8 109.09 20.29 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.421 0.688 . . . . 75.32 109.168 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 HG12 ' A' ' 56' ' ' VAL . 4.5 mm? -85.95 122.31 29.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.172 0.589 . . . . 73.42 110.089 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -149.17 115.65 5.86 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.919 0.888 . . . . 71.24 108.897 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -135.63 171.9 13.79 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.66 0.784 . . . . 72.34 109.245 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -64.0 -29.74 70.87 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.012 0.525 . . . . 75.31 110.66 175.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.93 117.92 26.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.081 0.953 . . . . 62.41 110.099 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.39 -19.33 62.28 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.667 1.187 . . . . 64.21 113.811 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.09 -59.27 4.31 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.261 0.482 . . . . 72.11 111.092 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.3 ttt-85 -76.11 -21.57 56.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.404 0.681 . . . . 73.31 110.592 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.82 -38.12 81.11 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.479 0.712 . . . . 75.53 110.755 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 30.0 tt0 -77.96 -30.72 50.5 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.63 -0.714 . . . . 74.0 112.322 -174.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -66.19 -33.57 76.05 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.782 -0.451 . . . . 74.12 109.782 177.165 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.54 -32.0 73.08 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 115.49 -0.777 . . . . 74.34 110.826 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 43' ' ' GLU . 58.1 mt -59.2 -40.84 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.368 0.667 . . . . 75.34 109.804 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -67.24 -43.24 82.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.809 -0.632 . . . . 75.41 110.232 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -57.38 -41.95 81.18 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.917 0.887 . . . . 70.51 111.709 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 ' NE2' ' A' ' 52' ' ' GLN . 85.0 mt -77.08 -33.41 57.05 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.44 -0.8 . . . . 75.45 112.292 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.89 -33.86 75.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.239 0.216 . . . . 71.54 110.656 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -61.29 -34.33 75.03 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.899 0.48 . . . . 73.23 111.502 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' NE2' HD22 ' A' ' 49' ' ' LEU . 47.7 mt-30 -83.74 -4.62 58.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.293 0.637 . . . . 72.44 111.945 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.27 46.31 8.23 Favored Glycine 0 C--N 1.347 1.159 0 O-C-N 122.959 0.162 . . . . 64.12 113.133 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -104.43 143.16 33.38 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.124 0.57 . . . . 74.32 110.19 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 91.03 6.28 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.173 -1.417 . . . . 74.44 107.173 172.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG12 HD23 ' A' ' 34' ' ' LEU . 49.3 t -93.88 132.84 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.762 -1.108 . . . . 72.32 110.583 -171.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 129.65 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.706 -0.849 . . . . 72.42 108.706 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.94 131.03 34.75 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.328 -0.99 . . . . 73.44 108.328 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG23 HD11 ' A' ' 65' ' ' ILE . 19.0 m -121.14 169.35 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.393 0.677 . . . . 73.12 109.932 -176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.2 mmpt? -93.85 -69.34 0.75 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 122.924 0.489 . . . . 74.32 110.004 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.29 176.04 8.86 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.152 0.581 . . . . 71.02 110.837 -169.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.79 -33.64 72.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.073 0.949 . . . . 70.21 112.067 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.43 -36.97 62.11 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.858 0.463 . . . . 72.22 111.244 165.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.19 -32.13 55.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.247 0.619 . . . . 73.54 111.469 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.496 HD11 HG23 ' A' ' 59' ' ' VAL . 8.9 mm -63.59 -54.08 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 123.692 0.797 . . . . 74.54 110.453 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.99 -38.99 80.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.46 1.104 . . . . 75.32 110.905 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -67.1 -39.34 86.69 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.47 -1.241 . . . . 71.44 110.446 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -61.87 -44.46 96.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.19 0.996 . . . . 74.02 111.124 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.497 HD11 HG13 ' A' ' 7' ' ' VAL . 1.8 mp -74.54 -37.28 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 115.9 -0.591 . . . . 73.44 109.863 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.54 -45.44 91.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.526 0.731 . . . . 73.24 110.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -74.81 -26.6 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.98 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.42 -35.17 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 C-N-CA 122.803 0.441 . . . . 73.34 111.235 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.09 -26.79 68.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.574 0.35 . . . . 75.33 110.953 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -81.6 -37.5 27.54 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.707 0.803 . . . . 73.14 110.195 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 17.8 mm-40 -64.34 -51.83 61.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.298 0.57 . . . . 64.23 110.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -137.42 88.65 16.69 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.308 1.043 . . . . 75.32 108.573 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.63 -7.81 19.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.657 2.238 . . . . 64.01 113.695 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.95 -28.07 69.27 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.597 0.962 . . . . 73.21 113.597 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -113.4 155.19 25.69 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.493 0.923 . . . . 75.22 113.493 -164.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.552 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 52.1 mt-10 -80.0 147.21 31.64 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.396 -1.275 . . . . 73.21 108.495 168.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.91 122.86 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.202 -0.666 . . . . 74.32 109.202 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -113.01 136.73 52.37 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.791 -0.818 . . . . 70.04 108.791 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' HG2' HG12 ' A' ' 69' ' ' ILE . 34.5 mtmm -99.4 117.36 33.66 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.158 -1.053 . . . . 74.2 108.158 171.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.536 HG13 ' HB1' ' A' ' 90' ' ' ALA . 99.1 t -109.56 92.38 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.028 -0.73 . . . . 74.02 109.028 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.4 p -87.64 -16.17 35.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.655 -0.702 . . . . 74.34 111.344 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -137.73 149.55 46.57 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.656 0.782 . . . . 74.41 110.302 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.61 -36.95 57.36 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.073 1.349 . . . . 75.1 112.484 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 14.7 t70 -49.56 -46.21 48.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.547 1.139 . . . . 73.2 112.032 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.25 -34.24 74.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.108 0.563 . . . . 71.21 111.212 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB1' HG13 ' A' ' 84' ' ' VAL . . . -66.91 -35.61 80.39 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.58 0.55 . . . . 73.22 111.005 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.22 -38.32 75.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.813 0.845 . . . . 74.22 111.047 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 16.5 mm100 -77.36 -35.21 54.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.819 0.448 . . . . 74.22 111.472 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 14.2 pt -72.36 -23.37 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 112.184 0.438 . . . . 75.34 112.184 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -53.92 -31.12 49.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 120.633 0.254 . . . . 73.44 110.342 166.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.658 ' HB3' ' HE2' ' A' ' 99' ' ' LYS . 67.2 mt-10 -78.85 -54.38 6.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.442 0.697 . . . . 75.42 110.292 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.491 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t70 -43.32 -43.36 4.95 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.991 1.316 . . . . 64.54 114.148 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD23 ' HG3' ' A' ' 26' ' ' GLU . 6.5 mp -66.77 -26.63 67.06 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.68 0.792 . . . . 74.22 111.646 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -86.51 -56.9 3.21 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.438 1.095 . . . . 63.43 111.195 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.658 ' HE2' ' HB3' ' A' ' 95' ' ' GLU . 67.2 mttm -62.51 -57.15 12.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.871 1.268 . . . . 70.05 112.457 -174.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -69.57 92.24 0.63 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.66 0.6 . . . . 74.02 110.133 -171.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.5 47.75 1.0 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.452 -1.459 . . . . 60.45 109.452 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.7 t -136.73 176.34 8.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.066 -1.067 . . . . 64.33 108.762 -176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.5 54.06 2.62 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.399 -0.963 . . . . 64.55 108.399 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.73 95.95 2.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.088 -0.96 . . . . 74.52 109.825 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -78.16 118.14 20.11 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.966 -0.753 . . . . 73.0 108.966 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.26 125.7 24.69 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.446 -0.576 . . . . 72.55 109.446 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -60.79 153.44 24.41 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.204 0.602 . . . . 74.33 110.774 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -69.26 151.06 46.73 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.067 0.547 . . . . 73.4 110.827 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -154.07 168.08 27.66 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.077 -1.083 . . . . 71.41 108.077 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.7 m170 . . . . . 0 CA--C 1.549 0.929 0 CA-C-O 118.449 -0.786 . . . . 73.01 108.945 171.703 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tmm? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 108.89 -0.782 . . . . 72.42 108.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.62 -80.28 0.79 Allowed Glycine 0 C--N 1.354 1.576 0 O-C-N 123.84 0.712 . . . . 72.33 112.492 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -86.54 137.18 32.72 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.618 0.767 . . . . 74.55 109.166 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.558 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -136.35 175.71 9.36 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.68 1.192 . . . . 73.55 109.83 174.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 79' ' ' LEU . 38.6 pt -122.71 141.37 43.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 108.913 -0.773 . . . . 75.45 108.913 168.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -113.44 126.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.213 -1.032 . . . . 73.42 108.213 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 69' ' ' ILE . 61.7 t -111.42 107.59 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.977 -0.749 . . . . 73.23 108.977 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 20' ' ' ALA . 19.4 mt -100.69 118.66 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.524 0.73 . . . . 73.52 109.588 -174.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.79 101.26 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 107.437 -1.32 . . . . 74.44 107.437 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.509 ' HB3' HD23 ' A' ' 34' ' ' LEU . 48.0 t -100.08 148.14 24.88 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.351 0.66 . . . . 74.51 111.075 -177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 p -144.49 81.66 1.67 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.498 -1.228 . . . . 63.45 109.183 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t70 76.94 -38.13 0.3 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.106 1.362 . . . . 73.03 113.352 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.67 142.73 58.33 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.097 0.559 . . . . 74.23 112.067 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -100.47 -20.79 15.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.77 0.828 . . . . 74.11 112.443 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -58.31 -47.23 84.37 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.68 0.622 . . . . 75.42 112.68 -173.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -76.32 -21.13 56.57 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 111.965 0.357 . . . . 73.32 111.965 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.32 -40.37 70.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.118 0.567 . . . . 73.33 110.365 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.92 -34.28 51.38 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.433 -0.349 . . . . 62.44 110.978 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.72 -35.41 72.64 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.832 0.453 . . . . 75.2 110.077 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 8' ' ' ILE . . . -55.5 -34.79 64.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.441 1.096 . . . . 64.25 112.606 177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -67.7 -36.22 80.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.948 0.899 . . . . 75.41 110.692 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -71.52 -42.01 68.51 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.469 0.708 . . . . 72.52 109.426 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 28' ' ' LEU . 96.4 mt -62.07 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.855 1.262 . . . . 74.43 111.732 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.8 ptpt -76.86 -16.83 59.3 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.737 0.643 . . . . 71.31 112.737 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.33 -12.0 12.14 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.45 0.7 . . . . 73.41 111.967 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.579 ' HG3' HD21 ' A' ' 97' ' ' LEU . 33.4 mm-40 -73.94 -8.94 57.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.34 1.056 . . . . 74.41 112.64 171.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.21 29.81 13.92 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.053 0.221 . . . . 71.31 112.712 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.622 HD12 HG21 ' A' ' 23' ' ' ILE . 4.5 pp -122.0 158.9 28.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.78 0.832 . . . . 74.23 109.593 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -87.18 143.25 27.38 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.079 0.4 . . . . 74.54 110.824 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 24' ' ' LYS . 71.3 t -120.64 129.84 75.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 123.682 0.793 . . . . 73.04 109.42 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 97.3 m-85 -110.66 117.47 33.59 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.893 1.277 . . . . 73.12 107.985 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' HB ' HG22 ' A' ' 56' ' ' VAL . 8.5 mm -95.1 122.87 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 108.901 -0.777 . . . . 75.42 108.901 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 59' ' ' VAL . 54.3 mt -97.98 104.57 16.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.131 -0.692 . . . . 75.13 109.131 173.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 10' ' ' SER . 0.7 OUTLIER -89.78 128.22 36.1 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.641 -0.874 . . . . 74.44 108.641 -178.157 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -146.6 122.64 10.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.469 -0.937 . . . . 73.35 108.469 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.76 171.48 13.83 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.572 1.149 . . . . 74.34 108.278 -177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -70.44 -30.51 67.38 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.016 0.527 . . . . 71.54 110.875 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -115.72 113.08 22.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.86 0.864 . . . . 71.04 109.832 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.49 -15.83 63.88 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.326 1.232 . . . . 75.1 114.326 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.89 -59.42 2.72 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.883 0.765 . . . . 75.21 110.234 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -69.13 -22.98 63.92 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.741 0.651 . . . . 74.04 110.169 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.05 -51.49 66.5 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.15 1.38 . . . . 75.13 111.219 175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 11.4 mm-40 -63.0 -37.13 85.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.981 0.512 . . . . 71.11 111.478 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.71 -38.12 86.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.495 0.718 . . . . 72.42 110.758 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.8 -41.09 97.3 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.814 1.245 . . . . 74.44 109.923 177.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.84 -46.82 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.678 -1.601 . . . . 74.11 110.854 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.2 mm-40 -64.59 -37.83 88.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 123.468 0.48 . . . . 74.31 111.22 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -64.28 -46.02 85.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.897 0.748 . . . . 75.23 111.202 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 56' ' ' VAL . 97.6 mt -69.3 -31.72 70.39 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 123.841 0.713 . . . . 75.11 112.008 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.59 -35.19 70.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.643 0.377 . . . . 73.52 110.17 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 t -67.49 -31.78 72.14 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.528 0.731 . . . . 71.21 111.311 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 HE21 ' HE2' ' A' ' 54' ' ' PHE . 29.0 mt-30 -69.53 -19.39 63.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.191 0.596 . . . . 75.42 111.316 171.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.47 49.71 2.51 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.731 -0.548 . . . . 64.1 111.731 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HE2' HE21 ' A' ' 52' ' ' GLN . 98.2 m-85 -125.48 136.0 52.9 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.807 -1.183 . . . . 73.14 107.807 171.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.56 102.15 9.59 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.835 -0.802 . . . . 75.14 108.835 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 49' ' ' LEU . 27.3 t -113.33 132.54 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.023 -0.989 . . . . 72.5 109.732 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -127.38 143.47 51.21 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.062 -1.088 . . . . 74.33 108.062 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -85.87 132.52 34.08 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.643 -1.243 . . . . 75.41 107.643 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG12 HD11 ' A' ' 33' ' ' LEU . 3.5 m -114.51 152.5 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.335 0.654 . . . . 71.22 110.066 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -73.14 -43.98 60.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.74 -1.118 . . . . 65.43 110.851 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -173.61 -175.66 1.15 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.325 1.05 . . . . 71.15 110.372 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -68.1 -43.22 78.97 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.255 0.835 . . . . 73.53 113.255 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 7.5 m-20 -50.86 -38.08 47.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.556 0.342 . . . . 62.34 110.493 171.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.62 -40.23 76.7 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.594 0.757 . . . . 72.34 109.719 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.414 HG21 HD12 ' A' ' 33' ' ' LEU . 90.7 mt -62.25 -51.57 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 124.082 0.953 . . . . 74.4 112.141 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.58 -55.27 35.97 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.374 0.67 . . . . 72.43 111.456 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -66.15 -21.24 66.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.285 -0.87 . . . . 74.33 112.795 175.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.404 ' HE3' HD13 ' A' ' 69' ' ' ILE . 54.4 t90 -64.35 -36.72 85.05 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.34 0.591 . . . . 74.24 110.097 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.535 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -76.14 -41.88 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 115.353 -0.84 . . . . 73.53 109.958 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 37.9 t70 -61.92 -37.82 86.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.055 0.942 . . . . 65.33 112.037 -172.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 15.1 ptmm? -67.89 -39.1 83.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 123.564 0.54 . . . . 72.12 111.289 178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.55 -33.79 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 122.491 0.316 . . . . 65.34 110.621 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 10.5 mtmp? -63.85 -31.63 72.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.549 0.34 . . . . 72.44 111.169 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -73.78 -39.09 64.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.024 0.53 . . . . 65.51 110.151 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 7.3 mm-40 -71.34 -35.37 71.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.705 0.402 . . . . 62.4 111.338 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -141.02 91.71 8.84 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.665 0.786 . . . . 74.32 110.311 -174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 -15.63 21.06 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.774 2.316 . . . . 75.02 113.048 170.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.1 -29.56 68.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.713 0.805 . . . . 74.11 112.519 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 2.6 pp -110.43 163.1 14.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.488 1.115 . . . . 72.21 110.355 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 2.0 pm0 -101.29 164.32 11.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.749 -0.463 . . . . 74.02 109.749 167.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -134.64 130.07 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.496 0.718 . . . . 65.51 109.153 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HG2' HG22 ' A' ' 93' ' ' ILE . 12.5 tpt180 -126.05 125.29 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.196 0.598 . . . . 75.24 110.149 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -91.17 117.36 29.55 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.085 0.554 . . . . 75.12 109.546 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG13 ' HB2' ' A' ' 90' ' ' ALA . 50.1 t -99.2 94.89 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.363 1.065 . . . . 74.23 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -85.98 -8.89 57.66 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.799 -1.092 . . . . 72.43 112.338 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -155.79 158.26 37.84 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.304 1.042 . . . . 74.0 108.454 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 12.6 pt-20 -55.52 -28.81 56.92 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.566 0.747 . . . . 72.14 112.227 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.99 -44.61 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.381 1.073 . . . . 74.53 111.282 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' HB2' HG11 ' A' ' 84' ' ' VAL . 15.7 mm100 -62.31 -37.17 84.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.857 0.723 . . . . 72.31 110.925 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.481 ' HB2' HG13 ' A' ' 84' ' ' VAL . . . -66.88 -33.29 75.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.19 0.596 . . . . 75.35 111.236 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -77.68 -32.67 53.22 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.251 0.621 . . . . 75.04 111.339 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.03 -44.88 83.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.199 0.6 . . . . 65.45 110.005 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 26.3 pt -73.38 -22.67 19.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 112.825 0.676 . . . . 73.12 112.825 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 90' ' ' ALA . 95.6 mt -54.58 -30.27 53.84 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.654 0.661 . . . . 75.23 110.484 167.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.08 -50.42 8.52 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.669 0.787 . . . . 73.34 110.164 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 61.0 m-20 -54.14 -29.17 44.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 113.666 0.987 . . . . 65.55 113.666 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.579 HD21 ' HG3' ' A' ' 26' ' ' GLU . 3.9 mp -75.73 -20.88 58.01 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.775 0.83 . . . . 74.32 110.356 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -84.51 -41.73 16.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.064 -0.971 . . . . 74.34 109.371 173.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.26 -76.24 0.1 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.299 1.04 . . . . 72.14 111.036 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -176.66 160.83 2.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.154 0.982 . . . . 75.22 110.796 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 81.87 1.51 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.274 -0.731 . . . . 70.44 111.274 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.3 p -69.13 93.96 0.63 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.19 0.596 . . . . 71.41 110.45 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.599 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 2.8 pp -88.74 -24.4 22.68 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.907 0.706 . . . . 73.54 112.907 -174.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HG2' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -67.43 138.77 56.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.448 -0.945 . . . . 65.34 108.448 177.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -65.89 -74.45 0.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.586 0.755 . . . . 72.32 111.716 -163.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.497 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 32.3 p80 44.73 28.27 0.33 Allowed 'General case' 0 N--CA 1.501 2.112 0 C-N-CA 125.403 1.481 . . . . 74.04 113.304 -173.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -150.38 132.92 15.72 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.037 1.335 . . . . 75.41 107.529 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -94.52 -18.72 21.18 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.972 -0.537 . . . . 75.44 111.963 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.3 t60 71.19 89.48 0.1 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 107.788 -1.19 . . . . 62.44 107.788 -158.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.25 1.092 0 N-CA-C 108.64 -0.874 . . . . 74.21 108.64 -177.61 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.142 -0.688 . . . . 72.24 109.142 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.89 43.02 0.05 OUTLIER Glycine 0 C--N 1.347 1.161 0 N-CA-C 111.45 -0.66 . . . . 62.23 111.45 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -81.68 170.18 16.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.195 0.598 . . . . 74.54 111.18 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -151.68 128.25 10.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.87 -0.789 . . . . 75.01 108.87 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.31 158.53 4.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 108.591 -0.892 . . . . 73.23 108.591 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -117.48 136.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 107.692 -1.225 . . . . 72.2 107.692 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG13 HD12 ' A' ' 69' ' ' ILE . 97.3 t -113.04 114.73 47.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.142 -1.429 . . . . 74.14 107.142 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 67.4 mt -110.77 123.21 66.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.267 -1.012 . . . . 74.42 108.267 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.645 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -95.9 96.15 5.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 105.251 -2.129 . . . . 74.1 105.251 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.4 t -79.46 98.68 6.89 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.014 -1.476 . . . . 75.34 107.014 -173.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 t -100.37 86.74 3.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.25 -0.886 . . . . 71.13 110.194 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 77.09 -59.39 0.48 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.524 1.529 . . . . 61.14 112.757 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.92 153.73 41.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.308 1.043 . . . . 74.55 111.808 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -84.66 -23.26 29.53 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.979 0.733 . . . . 74.02 112.979 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 m -50.59 -40.67 53.09 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.055 0.761 . . . . 74.35 113.055 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.38 -29.9 66.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.968 0.507 . . . . 73.3 110.677 -177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.4 -41.43 76.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.165 0.986 . . . . 75.14 110.208 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -69.12 -48.83 61.43 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.974 0.909 . . . . 74.43 111.483 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.709 HD23 HD11 ' A' ' 94' ' ' LEU . 94.9 mt -66.12 -37.97 87.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.565 0.746 . . . . 74.35 111.048 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -35.79 30.55 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.6 1.16 . . . . 72.44 113.564 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -73.85 -30.89 62.92 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.366 -0.833 . . . . 73.21 111.134 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.69 -43.48 89.11 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.474 0.71 . . . . 75.41 110.068 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.61 -52.27 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.779 0.675 . . . . 75.33 112.154 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HB3' HG21 ' A' ' 30' ' ' VAL . 16.6 ptpt -67.19 -19.07 65.51 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.416 0.895 . . . . 74.51 113.416 -173.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.15 -23.79 62.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.539 0.736 . . . . 70.2 111.464 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.54 -1.06 17.09 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.943 0.897 . . . . 63.35 112.295 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 32.12 5.97 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 123.155 0.407 . . . . 72.32 113.933 171.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 174.18 9.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.374 0.67 . . . . 72.33 110.59 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -98.36 147.55 24.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.398 0.679 . . . . 74.01 109.772 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 24' ' ' LYS . 89.5 t -119.44 131.9 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.625 0.77 . . . . 72.31 109.236 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 83.5 m-85 -108.95 115.19 29.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.344 -0.984 . . . . 73.21 108.344 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' HB ' HG22 ' A' ' 56' ' ' VAL . 34.6 mm -91.33 131.33 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.493 -0.558 . . . . 73.21 109.493 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 9' ' ' ILE . 74.3 mt -103.86 106.75 17.35 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.315 -0.994 . . . . 74.41 108.315 167.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 HD12 ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -78.39 127.79 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.729 -0.668 . . . . 73.34 109.28 -173.208 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -133.43 120.5 20.99 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 106.765 -1.568 . . . . 75.53 106.765 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -132.78 170.0 15.9 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.703 -0.851 . . . . 74.41 108.703 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -70.41 -37.44 74.44 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.656 -0.868 . . . . 74.02 108.656 174.472 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.67 123.76 50.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.782 0.833 . . . . 75.35 108.977 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.1 -18.8 65.58 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.139 0.427 . . . . 74.53 111.224 173.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -54.86 -59.17 5.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.864 1.266 . . . . 74.14 109.922 167.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -74.08 -24.42 59.49 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.852 -1.067 . . . . 74.3 111.667 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 34' ' ' LEU . 8.1 tt -60.54 -53.72 54.1 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 72.53 109.699 174.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.06 -39.89 91.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.839 0.856 . . . . 74.4 111.278 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.94 -40.65 91.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.835 0.854 . . . . 74.12 110.572 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HD2' HD12 ' A' ' 34' ' ' LEU . 38.8 ttmt -72.5 -26.76 61.9 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.843 0.857 . . . . 73.41 111.209 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.579 HG22 ' HB ' ' A' ' 56' ' ' VAL . 38.8 mt -59.0 -44.79 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.086 -0.709 . . . . 74.05 109.086 169.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -67.71 -39.07 84.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.148 0.579 . . . . 65.1 110.879 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.19 -55.0 38.5 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.95 0.781 . . . . 73.35 110.711 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' HB2' HG23 ' A' ' 56' ' ' VAL . 65.2 mt -71.67 -36.93 70.79 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.204 -0.907 . . . . 74.41 112.043 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 30.2 mtpp -62.38 -42.0 99.08 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 118.604 0.638 . . . . 73.41 111.254 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 t -65.45 -30.43 71.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.216 0.606 . . . . 75.15 111.656 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' NE2' HD21 ' A' ' 49' ' ' LEU . 49.9 mt-30 -71.47 -22.39 61.82 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.775 0.43 . . . . 75.3 111.106 173.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.74 6.92 7.63 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-O 119.652 -0.527 . . . . 70.25 113.96 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 93.7 m-85 -85.33 160.8 19.73 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.647 0.724 . . . . 74.53 110.76 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -104.22 114.65 29.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.476 -1.305 . . . . 72.44 107.476 165.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.579 ' HB ' HG22 ' A' ' 46' ' ' ILE . 12.4 t -117.66 133.16 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.26 0.624 . . . . 65.43 109.815 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -127.23 152.48 47.33 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.689 0.796 . . . . 74.03 110.665 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -92.3 125.55 37.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 108.006 -1.109 . . . . 74.43 108.006 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 33' ' ' LEU . 5.6 m -121.06 178.78 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.901 0.88 . . . . 71.42 110.169 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -109.24 -96.58 0.39 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.562 0.745 . . . . 73.25 109.838 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -95.6 175.35 6.58 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.523 0.729 . . . . 75.01 109.159 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 65' ' ' ILE . 26.7 t70 -64.23 -27.94 69.4 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.38 0.672 . . . . 72.12 111.011 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -54.55 -48.24 72.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.371 0.668 . . . . 74.25 111.267 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.4 -33.67 65.12 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.649 0.779 . . . . 74.44 111.132 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.486 HG22 HD13 ' A' ' 33' ' ' LEU . 93.6 mt -59.83 -49.17 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.797 -1.092 . . . . 63.41 110.041 171.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.11 -38.19 90.2 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.026 0.93 . . . . 63.05 111.124 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -72.07 -29.67 64.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.726 0.81 . . . . 74.5 110.549 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -70.36 -33.85 71.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.697 0.799 . . . . 73.31 110.333 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.574 HG12 ' HG3' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -36.46 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.003 0.521 . . . . 75.23 109.638 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.14 -43.05 82.07 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.993 0.917 . . . . 72.44 111.771 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HZ3' ' HB3' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -66.42 -36.6 83.22 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.212 -0.423 . . . . 74.44 111.369 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mt -70.17 -36.29 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.207 0.458 . . . . 75.41 110.401 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.516 0.326 . . . . 74.45 110.591 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 4.1 ttmp? -79.16 -42.6 25.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 74.52 111.629 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 16.8 mm-40 -82.77 -40.23 20.75 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.264 0.626 . . . . 74.44 110.33 -176.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -129.65 83.55 64.15 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.937 0.895 . . . . 72.04 110.965 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.74 -5.95 18.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.928 2.419 . . . . 72.43 112.271 166.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.02 -7.14 38.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.317 1.047 . . . . 74.05 113.199 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.44 144.34 34.37 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.058 0.943 . . . . 73.42 109.714 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.46 144.41 39.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.434 -0.58 . . . . 75.23 109.434 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.35 123.82 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.195 -0.669 . . . . 63.55 109.195 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -109.54 132.9 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.726 0.811 . . . . 71.45 109.451 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.574 ' HG3' HG12 ' A' ' 69' ' ' ILE . 12.0 mtpt -95.47 121.28 36.98 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 108.721 -0.844 . . . . 71.1 108.721 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 93' ' ' ILE . 69.4 t -122.02 89.54 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 N-CA-C 107.891 -1.151 . . . . 74.41 107.891 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.645 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 16.4 p -91.27 -25.02 19.67 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.011 0.524 . . . . 70.12 111.309 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -117.96 155.12 30.8 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.042 0.937 . . . . 71.4 110.129 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.78 -44.69 86.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.604 1.161 . . . . 74.13 112.738 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 7.6 p-10 -57.77 -37.87 74.44 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.614 0.571 . . . . 73.15 111.388 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' HB2' HG11 ' A' ' 84' ' ' VAL . 49.9 mt-30 -62.98 -41.23 99.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.17 0.588 . . . . 72.41 110.471 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.21 68.08 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.672 0.789 . . . . 70.23 111.914 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.1 -34.48 43.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.454 0.702 . . . . 73.31 111.816 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.9 mm100 -78.82 -36.6 42.34 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.628 0.371 . . . . 72.21 111.46 -176.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 84' ' ' VAL . 23.0 pt -62.28 -27.24 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 111.725 0.269 . . . . 73.42 111.725 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.709 HD11 HD23 ' A' ' 19' ' ' LEU . 95.7 mt -51.69 -42.76 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.51 0.324 . . . . 74.44 111.59 171.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.81 -28.83 27.82 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.721 0.808 . . . . 71.24 111.645 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.756 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 15.7 t70 -61.08 -47.92 84.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.957 0.903 . . . . 74.52 111.366 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.31 -20.55 63.0 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.98 -1.009 . . . . 75.44 110.82 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 28.1 mmmt -80.87 -31.64 35.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.214 0.605 . . . . 74.33 110.601 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.756 ' HE2' ' HA ' ' A' ' 96' ' ' ASP . 49.4 mtmt -59.91 -35.89 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.181 0.592 . . . . 75.12 110.567 172.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 11.1 mmpt? -66.33 -28.08 68.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.565 -0.743 . . . . 73.34 111.897 -177.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.09 -51.34 3.79 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.418 -0.673 . . . . 64.23 111.418 170.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m -105.54 92.96 4.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.057 0.943 . . . . 72.43 110.257 -175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.7 29.61 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.592 0.757 . . . . 74.42 111.501 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.18 172.49 8.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.938 0.895 . . . . 73.04 110.111 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -69.94 104.26 2.47 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.654 -1.239 . . . . 72.55 107.654 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -55.74 106.06 0.23 Allowed 'General case' 0 CA--C 1.548 0.877 0 O-C-N 124.043 0.839 . . . . 73.35 108.815 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -88.75 93.28 9.52 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.322 0.649 . . . . 75.53 111.586 -167.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 t60 40.25 78.34 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.981 1.312 . . . . 75.22 112.735 163.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -67.6 -32.62 73.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.802 -0.444 . . . . 73.53 109.802 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 . . . . . 0 CA--C 1.553 1.075 0 O-C-N 124.516 1.135 . . . . 74.32 108.544 174.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.372 -0.233 . . . . 71.23 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.52 10.17 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.658 -0.577 . . . . 62.15 111.658 -173.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 m -68.7 103.56 1.77 Allowed 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.323 0.649 . . . . 60.21 109.841 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 20.7 ttpt -148.46 141.69 25.1 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.355 0.662 . . . . 71.42 109.501 -177.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD13 HG23 ' A' ' 72' ' ' ILE . 46.8 pt -121.26 144.29 30.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 107.927 -1.138 . . . . 72.32 107.927 168.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG13 HG21 ' A' ' 23' ' ' ILE . 47.2 mm -113.13 106.91 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.919 -0.771 . . . . 73.34 108.919 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG11 HD11 ' A' ' 69' ' ' ILE . 54.1 t -80.27 125.05 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 109.376 -0.601 . . . . 71.31 109.376 171.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.43 HG12 ' HB ' ' A' ' 84' ' ' VAL . 37.0 mt -116.26 131.21 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.001 -0.74 . . . . 70.14 109.001 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.666 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -96.24 92.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 105.906 -1.887 . . . . 74.23 105.906 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 t -100.49 123.12 44.29 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.521 -0.763 . . . . 65.32 110.343 -170.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -138.55 119.35 14.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.545 -1.28 . . . . 70.52 107.545 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 73.2 -79.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.137 1.375 . . . . 72.5 113.607 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.79 138.63 58.57 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 113.756 1.021 . . . . 75.53 113.756 -166.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.2 m -89.51 -14.82 34.39 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.27 -1.332 . . . . 75.24 111.973 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -29.64 69.75 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.973 -0.455 . . . . 74.15 111.704 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.13 -29.77 66.78 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.826 -0.435 . . . . 74.55 109.826 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG2' HD23 ' A' ' 49' ' ' LEU . 33.0 mt-10 -76.53 -37.33 56.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.574 1.15 . . . . 72.32 109.708 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 35.5 mm-40 -62.99 -58.46 7.24 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 115.479 -0.782 . . . . 64.54 109.369 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.8 mt -54.0 -40.19 66.75 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.632 1.208 . . . . 72.32 110.797 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' HG12 ' A' ' 30' ' ' VAL . . . -54.44 -48.93 71.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.327 1.051 . . . . 53.1 112.046 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -68.59 -25.53 64.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.857 -1.065 . . . . 74.4 111.143 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 1.8 mptm? -83.82 -35.95 23.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.329 0.652 . . . . 65.41 111.718 177.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.513 HG21 HG13 ' A' ' 6' ' ' ILE . 74.3 mt -56.92 -52.19 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 123.599 0.76 . . . . 73.54 110.638 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HB3' HG22 ' A' ' 30' ' ' VAL . 16.7 ptpt -60.25 -22.4 63.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 124.176 0.922 . . . . 75.41 112.909 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.21 -23.93 65.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.329 0.652 . . . . 73.4 111.78 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.96 -1.54 9.95 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.361 0.664 . . . . 72.21 112.533 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 26.08 7.45 Favored Glycine 0 C--N 1.345 1.071 0 C-N-CA 122.968 0.318 . . . . 53.23 112.819 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -128.57 176.57 7.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.469 0.708 . . . . 75.02 110.545 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -107.0 153.0 23.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.709 0.403 . . . . 73.41 110.074 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' A' ' 24' ' ' LYS . 88.7 t -119.37 127.5 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 123.69 0.796 . . . . 71.5 109.615 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -103.24 154.74 19.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.368 -1.345 . . . . 75.32 107.368 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG23 HD11 ' A' ' 49' ' ' LEU . 31.9 mm -124.97 134.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 108.597 -0.89 . . . . 73.32 108.597 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD12 HG13 ' A' ' 59' ' ' VAL . 28.8 mt -104.68 113.21 26.65 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.642 -0.873 . . . . 71.15 108.642 164.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD13 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 122.34 39.8 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.848 -0.797 . . . . 74.5 108.848 -176.124 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.61 116.25 8.67 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 107.687 -1.227 . . . . 70.35 107.687 172.168 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.514 ' H ' HD13 ' A' ' 42' ' ' LEU . 31.7 t70 -134.05 162.76 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.419 0.687 . . . . 74.14 109.673 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HZ3' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -69.57 -25.33 63.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.809 0.843 . . . . 75.22 111.685 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.39 112.77 23.56 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.948 0.899 . . . . 71.12 109.103 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -29.29 61.57 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.629 0.772 . . . . 73.31 111.353 168.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -56.07 -58.19 8.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 74.33 110.76 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.86 -30.5 62.69 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.342 -0.845 . . . . 73.34 111.09 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HG ' HD13 ' A' ' 34' ' ' LEU . 8.3 tt -58.48 -50.64 73.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.249 1.02 . . . . 74.34 110.088 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.38 -47.04 82.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.46 1.104 . . . . 75.53 111.319 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.93 -45.32 93.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.599 -0.728 . . . . 64.01 110.078 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.33 -39.52 90.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.289 1.036 . . . . 74.32 111.849 -174.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.54 HG22 ' HB ' ' A' ' 56' ' ' VAL . 43.6 mt -55.96 -49.58 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.867 0.73 . . . . 74.43 109.964 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -71.51 -26.44 62.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.156 0.582 . . . . 75.22 112.002 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 32.8 mmtp -72.52 -39.0 67.91 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.936 0.398 . . . . 71.14 109.985 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.1 mt -72.08 -39.19 69.15 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.446 -0.797 . . . . 72.52 111.041 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 47.0 mtpt -66.78 -32.53 73.88 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.452 0.301 . . . . 74.24 110.584 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -41.76 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 122.908 0.483 . . . . 75.1 110.991 169.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 49' ' ' LEU . 47.2 mt-30 -72.31 -13.72 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.542 0.737 . . . . 74.43 111.492 174.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.71 52.81 1.75 Allowed Glycine 0 C--N 1.35 1.332 0 C-N-CA 123.304 0.478 . . . . 74.31 112.516 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -123.42 143.27 50.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.442 0.697 . . . . 75.41 110.318 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.42 87.62 7.47 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.531 -0.914 . . . . 75.12 108.531 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.54 ' HB ' HG22 ' A' ' 46' ' ' ILE . 8.0 t -97.09 131.42 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.185 -0.916 . . . . 74.41 110.505 -171.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -133.12 141.14 48.0 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.866 1.266 . . . . 74.55 108.022 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -87.04 139.16 30.85 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.851 0.46 . . . . 75.14 109.921 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG13 HD12 ' A' ' 33' ' ' LEU . 9.8 m -137.91 177.81 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.328 1.051 . . . . 75.44 108.592 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -103.84 -78.34 0.56 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.289 0.636 . . . . 74.24 111.289 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -124.03 176.24 6.47 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.874 0.87 . . . . 64.23 108.748 -169.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 23.3 t70 -71.72 -15.25 62.19 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.934 0.397 . . . . 74.12 110.847 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.13 -48.53 76.05 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.386 0.675 . . . . 72.45 109.571 165.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.54 -42.81 58.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.28 1.032 . . . . 75.43 110.501 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 94.3 mt -63.52 -55.37 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.861 0.865 . . . . 74.11 111.189 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 36.1 t70 -59.5 -34.45 72.62 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.049 0.54 . . . . 61.0 111.286 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -77.57 -31.73 53.33 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.137 1.375 . . . . 74.44 110.76 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.502 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.0 t90 -69.13 -43.15 74.97 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.413 1.085 . . . . 75.15 110.195 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.659 HD11 HG11 ' A' ' 7' ' ' VAL . 2.0 mp -72.76 -38.72 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.146 0.578 . . . . 72.13 109.59 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.72 -43.43 76.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.1 0.96 . . . . 72.32 111.018 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -74.65 -34.65 62.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.029 -0.51 . . . . 73.11 111.276 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.7 mm -61.05 -38.32 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 118.317 0.508 . . . . 72.23 110.154 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -72.9 -27.78 62.09 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.753 0.649 . . . . 74.24 112.753 -177.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -89.16 -38.14 14.52 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 120.727 0.299 . . . . 74.43 110.664 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.45 -39.13 68.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.762 0.825 . . . . 70.13 109.808 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -122.33 79.49 45.08 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 124.274 1.03 . . . . 61.34 108.911 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.48 9.77 3.55 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.748 2.299 . . . . 73.21 112.809 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -75.88 -45.51 35.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.731 0.813 . . . . 74.31 109.56 174.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -110.45 137.7 47.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.416 0.686 . . . . 74.42 110.478 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.92 152.54 21.99 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.601 -0.888 . . . . 70.44 108.601 172.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 69' ' ' ILE . 16.4 t -128.59 143.6 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.805 -0.443 . . . . 74.24 109.805 -174.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -126.54 131.65 51.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.062 0.945 . . . . 74.41 109.611 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HD2' HG23 ' A' ' 65' ' ' ILE . 38.9 mtmt -84.05 138.06 33.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.854 0.861 . . . . 74.0 109.241 170.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.538 HG12 ' HB1' ' A' ' 90' ' ' ALA . 43.9 t -130.11 94.0 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.735 0.814 . . . . 75.44 109.443 176.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.666 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 66.7 p -81.8 -30.43 32.23 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 120.899 0.381 . . . . 75.14 112.011 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -119.39 158.46 26.11 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.432 0.693 . . . . 73.44 111.105 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -50.21 -47.42 54.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.164 1.386 . . . . 75.44 111.597 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 37.1 t70 -63.06 -31.65 72.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.9 -0.591 . . . . 72.44 111.549 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' HB2' HG13 ' A' ' 84' ' ' VAL . 11.0 mm100 -67.62 -35.88 79.77 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.692 0.397 . . . . 62.22 110.636 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.538 ' HB1' HG12 ' A' ' 84' ' ' VAL . . . -67.99 -34.14 75.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.861 -0.609 . . . . 72.42 111.076 172.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 8.8 mtpm? -69.51 -40.71 76.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.149 0.579 . . . . 73.13 111.057 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.5 mm-40 -66.32 -47.02 74.89 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.573 0.546 . . . . 61.34 110.016 -176.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 40.4 pt -66.31 -28.62 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.655 0.613 . . . . 74.42 112.655 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 35.9 mt -57.54 -51.05 71.04 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 118.391 0.541 . . . . 75.43 109.683 170.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.15 -26.63 67.52 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.517 1.127 . . . . 74.24 111.574 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.564 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.5 t70 -80.89 -27.58 36.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.137 0.975 . . . . 74.13 111.019 -175.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -80.51 -14.86 57.89 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.281 0.633 . . . . 73.45 110.073 174.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 26.2 mmmt -85.95 -42.1 14.32 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.444 -0.576 . . . . 74.22 109.444 173.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' HZ2' ' HB2' ' A' ' 99' ' ' LYS . 10.0 mtmp? -64.95 -39.45 93.52 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.506 0.722 . . . . 75.12 109.776 173.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt 44.57 -67.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 127.692 2.397 . . . . 71.51 115.852 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.75 84.79 0.11 Allowed Glycine 0 C--N 1.349 1.283 0 N-CA-C 114.156 0.422 . . . . 74.21 114.156 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 m -74.28 -14.22 60.88 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.896 0.878 . . . . 74.45 110.746 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt 63.72 19.75 11.88 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.429 1.491 . . . . 72.13 111.975 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -124.86 85.12 2.37 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.969 0.907 . . . . 72.22 109.944 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -149.72 -49.26 0.14 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.702 -1.592 . . . . 73.31 106.702 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -112.85 90.11 3.26 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 107.196 -1.409 . . . . 72.31 107.196 164.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.66 -19.61 65.97 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.893 -0.505 . . . . 72.01 111.219 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -69.83 82.53 0.46 Allowed 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.83 0.824 . . . . 71.23 110.236 169.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -146.29 25.89 1.21 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.526 1.53 . . . . 73.11 106.926 169.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.8 t60 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.33 1.452 . . . . 62.52 107.589 -174.453 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 ttp . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.071 -0.714 . . . . 75.13 109.071 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.41 85.37 0.1 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 110.398 -1.081 . . . . 62.21 110.398 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 m -83.8 156.31 22.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 75.53 111.848 -171.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.6 ttmm -104.35 153.29 21.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 106.384 -1.71 . . . . 73.43 106.384 159.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.46 HD12 HG23 ' A' ' 81' ' ' VAL . 39.1 pt -134.19 148.82 29.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 CA-C-O 121.334 0.588 . . . . 73.25 109.502 169.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mm -116.35 126.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.014 -1.106 . . . . 74.03 108.014 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 83.4 t -104.94 114.64 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.111 -1.07 . . . . 74.22 108.111 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.1 mt -104.8 120.65 55.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.908 -0.775 . . . . 75.23 108.908 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.59 91.35 3.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 106.507 -1.664 . . . . 73.01 106.507 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.628 ' HA ' HD13 ' A' ' 16' ' ' LEU . 8.7 t -87.96 111.96 22.05 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.903 -0.589 . . . . 74.15 110.896 -170.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -82.23 -145.06 0.06 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.949 1.3 . . . . 71.21 109.388 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.3 -25.11 54.49 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 123.151 0.581 . . . . 71.3 110.719 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.8 130.07 43.25 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.343 0.657 . . . . 70.34 111.407 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 13.4 t -89.53 -18.48 26.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.84 0.456 . . . . 74.15 111.943 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -57.33 -30.89 65.17 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.585 0.63 . . . . 75.51 111.51 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.628 HD13 ' HA ' ' A' ' 10' ' ' SER . 11.5 mt -57.12 -55.62 32.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.662 1.185 . . . . 73.1 111.652 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.75 -24.08 56.06 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.405 1.082 . . . . 73.41 111.944 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 14' ' ' THR . 43.9 mt-10 -70.23 -50.92 34.88 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.967 0.507 . . . . 72.1 110.138 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 67.8 mt -64.35 -32.32 73.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.847 0.859 . . . . 72.0 111.395 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -37.41 7.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.135 1.374 . . . . 74.33 113.468 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -72.02 -42.3 66.52 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.109 -0.496 . . . . 74.12 111.35 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 11.4 mptt -58.65 -36.43 74.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.059 0.544 . . . . 74.2 110.677 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.35 -56.86 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 123.491 0.495 . . . . 74.52 110.613 173.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HB3' HG22 ' A' ' 30' ' ' VAL . 14.5 ptpt -67.85 -19.3 65.03 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.523 0.935 . . . . 72.42 113.523 -172.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -65.73 -10.8 40.16 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 112.735 0.643 . . . . 75.35 112.735 172.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.28 -15.27 60.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.106 0.562 . . . . 74.11 111.388 170.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.44 25.65 4.87 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.371 -0.127 . . . . 61.23 113.31 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -127.58 175.85 7.94 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.449 0.7 . . . . 71.34 110.185 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -100.45 152.01 20.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.728 0.411 . . . . 71.2 111.015 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' A' ' 24' ' ' LYS . 95.9 t -120.49 125.83 74.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.061 0.944 . . . . 75.51 109.581 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 14.7 m-85 -104.74 126.91 52.29 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 107.274 -1.38 . . . . 74.43 107.274 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.3 mm -101.82 128.37 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.119 -0.697 . . . . 60.44 109.119 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD11 HG21 ' A' ' 65' ' ' ILE . 37.5 mt -100.23 107.4 19.22 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.238 -0.653 . . . . 73.15 109.238 169.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -86.77 128.19 35.02 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.104 -0.953 . . . . 62.14 109.205 -174.796 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -130.62 121.32 25.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.763 0.825 . . . . 70.03 109.415 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' H ' HD11 ' A' ' 42' ' ' LEU . 23.1 t70 -135.27 165.41 25.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.152 0.981 . . . . 73.12 108.885 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.541 ' HE3' ' N ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -70.91 -20.54 62.47 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.065 0.546 . . . . 74.01 110.979 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.4 122.15 32.83 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.085 0.954 . . . . 52.02 108.84 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.74 -31.56 62.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.847 1.259 . . . . 72.45 113.975 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -80.92 -36.67 30.79 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 117.723 0.238 . . . . 72.02 110.641 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -65.58 -41.2 93.13 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.514 0.673 . . . . 71.04 110.05 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' H ' ' A' ' 36' ' ' ASP . 7.2 tt -52.62 -45.62 66.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.551 1.54 . . . . 74.25 110.478 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.52 -31.93 65.73 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.518 1.127 . . . . 74.22 112.519 -172.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 52.9 mt-10 -64.28 -41.65 96.79 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.189 0.519 . . . . 74.44 109.822 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.77 -32.86 73.73 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.053 -0.976 . . . . 73.33 111.052 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.492 HG22 ' HB ' ' A' ' 56' ' ' VAL . 37.9 mt -58.73 -42.02 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 N-CA-C 109.531 -0.544 . . . . 61.14 109.531 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.74 -38.66 87.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.011 0.524 . . . . 71.11 111.145 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 10.8 mmpt? -60.03 -46.39 89.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.433 0.693 . . . . 73.31 111.556 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.658 ' HB2' HG22 ' A' ' 56' ' ' VAL . 81.4 mt -79.67 -31.74 41.43 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.292 -0.867 . . . . 75.45 111.793 -174.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -65.91 -38.08 87.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.925 0.49 . . . . 64.42 110.644 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -61.26 -33.33 73.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.351 0.66 . . . . 64.25 111.299 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' NE2' HD23 ' A' ' 49' ' ' LEU . 50.6 mt-30 -79.97 -11.26 59.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.885 0.874 . . . . 75.14 111.902 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.01 27.16 10.48 Favored Glycine 0 C--N 1.348 1.23 0 N-CA-C 113.896 0.318 . . . . 75.13 113.896 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -100.23 138.51 37.19 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.995 -0.743 . . . . 75.23 108.995 175.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -81.55 90.73 6.28 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.31 -0.626 . . . . 70.03 109.31 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 49' ' ' LEU . 10.2 t -97.81 134.26 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.673 -0.694 . . . . 74.44 109.711 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.67 155.5 44.92 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.443 0.697 . . . . 75.31 110.502 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HE2' HD13 ' A' ' 42' ' ' LEU . 10.0 tmtt? -93.06 132.54 37.07 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.456 -1.247 . . . . 74.21 108.177 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 m -123.38 150.04 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.037 0.935 . . . . 74.01 109.499 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -78.52 -32.89 48.28 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.592 0.357 . . . . 74.3 110.601 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -170.6 -172.98 1.31 Allowed 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.822 0.701 . . . . 72.42 110.631 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.98 -35.8 66.96 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.377 1.071 . . . . 75.44 112.43 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.1 -32.67 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.296 0.638 . . . . 74.54 111.262 171.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.79 -35.37 64.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.733 0.813 . . . . 73.32 111.086 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 33' ' ' LEU . 70.7 mt -58.88 -45.61 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 124.05 0.844 . . . . 75.12 112.492 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.18 -45.5 87.4 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.047 0.385 . . . . 64.02 111.012 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -61.76 -34.01 75.1 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.381 -0.827 . . . . 74.42 111.58 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.439 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 29.2 t90 -67.33 -45.26 76.96 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.547 0.739 . . . . 72.44 110.445 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -69.12 -40.46 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 122.505 0.322 . . . . 73.44 110.17 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.08 -40.19 94.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.448 0.699 . . . . 74.24 111.528 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.9 ptpt -72.32 -31.98 66.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 119.124 -0.465 . . . . 73.33 111.336 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 68' ' ' TRP . 34.2 mm -68.42 -39.53 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.612 0.365 . . . . 74.1 110.774 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.79 -27.81 67.88 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.429 -0.351 . . . . 75.32 110.942 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.646 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 4.3 ttmp? -83.88 -38.72 20.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.806 0.842 . . . . 72.32 111.549 -176.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -78.57 -38.6 39.79 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.1 0.56 . . . . 73.34 109.897 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HE ' HD22 ' A' ' 79' ' ' LEU . 66.8 mtp85 -123.08 83.95 51.07 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.457 1.103 . . . . 71.35 108.776 -176.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.78 4.05 6.77 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.986 2.457 . . . . 73.31 113.725 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -101.26 20.21 16.22 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.198 0.599 . . . . 73.31 111.018 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.586 HD22 ' HE ' ' A' ' 76' ' ' ARG . 2.7 pp -142.45 157.74 44.44 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.159 0.584 . . . . 73.22 111.66 170.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG2' ' HG3' ' A' ' 4' ' ' LYS . 2.5 pm0 -102.65 148.48 25.52 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.804 1.242 . . . . 73.51 109.059 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG23 HD12 ' A' ' 5' ' ' ILE . 39.4 t -124.46 128.5 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.166 0.586 . . . . 74.44 110.723 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -111.94 139.28 47.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.431 1.092 . . . . 73.12 109.109 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HG2' HG12 ' A' ' 69' ' ' ILE . 41.5 mtmt -98.89 131.13 45.22 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.698 -0.852 . . . . 75.41 108.698 172.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 93' ' ' ILE . 75.1 t -122.69 101.75 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.15 0.98 . . . . 72.02 109.957 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.9 p -85.83 -54.93 4.22 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.333 0.253 . . . . 73.14 110.368 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 12.1 m-20 -87.32 151.65 22.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.485 0.714 . . . . 62.43 110.219 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -64.48 -28.45 69.67 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.905 0.482 . . . . 74.43 110.089 171.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -57.07 -38.16 72.91 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.251 1.42 . . . . 73.45 111.26 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.527 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 13.0 mm100 -74.33 -31.34 62.41 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.472 -0.785 . . . . 74.12 110.742 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.47 66.81 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.155 0.582 . . . . 74.42 111.582 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 29.4 mtpp -75.74 -32.48 60.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.498 0.719 . . . . 73.23 110.208 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.69 -52.19 27.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.937 0.895 . . . . 73.35 111.277 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 30.0 pt -60.3 -25.81 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 112.841 0.682 . . . . 64.43 112.841 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 82.1 mt -53.88 -42.74 68.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.31 0.244 . . . . 72.42 110.827 170.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.46 -24.88 27.22 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.939 0.895 . . . . 74.34 112.144 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -77.72 -30.94 51.97 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.432 0.693 . . . . 64.11 111.297 -170.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.28 -18.72 60.0 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.833 0.453 . . . . 75.25 110.194 171.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.2 mmmt -81.81 -26.19 34.58 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.676 0.391 . . . . 74.1 110.685 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -53.38 -68.88 0.14 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 108.68 -0.859 . . . . 64.31 108.68 169.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -160.56 178.84 9.12 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.716 1.606 . . . . 73.32 108.099 169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.69 -32.94 82.84 Favored Glycine 0 C--N 1.35 1.322 0 N-CA-C 111.233 -0.747 . . . . 74.51 111.233 167.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.3 m -86.53 114.06 22.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.601 -0.889 . . . . 53.32 108.601 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -73.55 -7.32 51.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.99 0.916 . . . . 74.14 112.041 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -141.46 -170.32 3.06 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.809 0.444 . . . . 75.2 110.992 -176.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.5 55.81 3.34 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.443 1.097 . . . . 72.31 111.055 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 66.1 t60 51.68 49.47 20.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.061 1.344 . . . . 63.54 112.805 168.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -84.74 -21.9 29.87 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.694 -0.629 . . . . 75.23 111.076 175.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -93.14 144.84 24.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 110.0 -0.37 . . . . 74.4 110.0 176.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -167.57 43.85 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.759 1.224 . . . . 74.23 107.776 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 N--CA 1.484 1.232 0 C-N-CA 125.895 1.678 . . . . 73.42 107.709 -159.485 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 108.071 -1.085 . . . . 74.23 108.071 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.77 19.13 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 114.898 -1.046 . . . . 70.34 110.7 172.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -66.17 129.37 39.59 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.73 -0.841 . . . . 75.42 108.73 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 12.8 ttmm -132.18 148.53 52.47 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.86 -0.422 . . . . 71.05 109.86 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 72' ' ' ILE . 45.4 pt -136.32 146.61 28.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.646 -1.242 . . . . 73.34 107.646 163.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 mm -115.12 138.56 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.682 -1.229 . . . . 72.2 107.682 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG13 HD13 ' A' ' 69' ' ' ILE . 91.9 t -117.57 116.26 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.299 -1.371 . . . . 72.53 107.299 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 HD13 ' HB2' ' A' ' 20' ' ' ALA . 44.2 mt -107.53 127.42 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.259 -0.645 . . . . 74.11 109.259 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.71 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -92.46 93.49 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 106.124 -1.806 . . . . 72.41 106.124 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -88.55 104.74 17.11 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.89 -1.05 . . . . 73.51 110.098 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.465 ' OG ' ' HD3' ' A' ' 35' ' ' LYS . 13.6 m -125.45 106.46 9.81 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.364 -0.835 . . . . 65.43 109.076 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 74.17 -68.76 0.21 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.34 1.456 . . . . 71.23 111.653 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.73 149.62 39.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.14 0.976 . . . . 72.34 112.942 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -103.54 -23.68 13.48 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 124.839 1.256 . . . . 74.41 112.228 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -62.56 -26.6 68.66 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.3 0.64 . . . . 73.45 111.5 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.12 -45.32 87.48 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.279 1.032 . . . . 75.13 110.694 173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -79.34 -29.2 42.17 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.392 -1.276 . . . . 75.14 110.206 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.42 -49.47 71.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.558 1.143 . . . . 72.24 109.026 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.41 HD21 HD13 ' A' ' 94' ' ' LEU . 94.1 mt -67.19 -29.44 69.12 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.654 -1.157 . . . . 73.3 111.421 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' HG12 ' A' ' 30' ' ' VAL . . . -53.04 -37.44 61.57 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.92 0.888 . . . . 71.34 112.54 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.9 -38.18 89.92 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.177 0.991 . . . . 73.53 111.254 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -40.0 63.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.789 0.835 . . . . 75.15 110.493 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.78 -57.26 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 122.841 0.456 . . . . 74.14 110.259 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HB3' HG22 ' A' ' 30' ' ' VAL . 15.8 ptpt -65.82 -18.67 65.49 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.041 0.756 . . . . 75.51 113.041 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.65 -22.36 45.25 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 74.31 112.175 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.97 -23.09 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.264 0.626 . . . . 73.44 112.388 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.68 37.78 0.88 Allowed Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.441 -0.345 . . . . 73.44 112.64 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.47 177.24 7.13 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.466 0.706 . . . . 74.41 110.235 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -101.81 150.84 22.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.459 0.704 . . . . 74.3 110.421 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG22 ' HB3' ' A' ' 24' ' ' LYS . 85.8 t -121.95 132.15 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.558 0.743 . . . . 71.34 109.939 173.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 73.2 m-85 -107.3 114.2 28.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.527 1.131 . . . . 72.35 108.526 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 49' ' ' LEU . 44.4 mm -92.62 121.55 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.752 -0.832 . . . . 75.32 108.752 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD13 HG11 ' A' ' 59' ' ' VAL . 54.6 mt -101.12 103.16 14.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.474 -0.936 . . . . 73.2 108.474 175.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.25 118.66 28.0 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 106.593 -1.632 . . . . 72.24 106.593 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.634 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 8.6 mtpm? -101.09 113.43 26.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.761 -0.829 . . . . 63.23 108.761 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -140.55 162.26 35.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.201 0.6 . . . . 75.33 109.541 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -102.04 -6.52 23.27 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.319 0.648 . . . . 74.34 111.525 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.39 178.69 4.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.803 0.841 . . . . 65.05 109.853 -173.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.17 6.81 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.796 0.438 . . . . 74.14 111.802 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 8.5 mtpm? -69.11 -59.61 2.91 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.866 0.466 . . . . 73.3 111.497 -172.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -67.48 -42.53 82.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.143 0.977 . . . . 75.25 110.707 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -49.9 -58.3 5.71 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.256 0.973 . . . . 73.11 112.073 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 43.2 tt0 -66.45 -32.65 74.15 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.674 0.609 . . . . 75.42 111.012 -172.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 38.6 mm-40 -61.47 -57.01 13.87 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.207 -0.664 . . . . 75.35 109.207 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -54.4 -45.78 72.99 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.534 1.146 . . . . 73.31 111.995 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -54.74 -50.61 59.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 O-C-N 124.2 0.938 . . . . 72.4 110.501 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.1 mm100 -68.26 -29.5 68.31 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.343 0.497 . . . . 74.51 112.343 -176.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 68.8 mmtt -66.54 -42.51 87.05 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.451 0.643 . . . . 73.32 109.868 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' HG22 ' A' ' 56' ' ' VAL . 54.0 mt -72.71 -39.5 66.92 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.977 -1.01 . . . . 75.43 111.421 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.53 -32.62 74.09 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.851 0.46 . . . . 74.21 110.918 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 t -59.48 -35.67 74.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.518 0.727 . . . . 73.31 111.24 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.98 -14.53 60.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.553 0.741 . . . . 74.12 111.456 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.68 1.55 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 112.021 -0.431 . . . . 64.13 112.021 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.3 141.24 52.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.783 0.833 . . . . 72.43 109.982 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -80.97 85.52 6.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.327 0.651 . . . . 64.23 109.285 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 49' ' ' LEU . 13.6 t -95.84 134.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.173 0.589 . . . . 73.35 110.246 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 85.0 mmt-85 -130.99 166.46 20.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.958 0.903 . . . . 72.2 110.527 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -99.1 127.57 45.08 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.391 -1.277 . . . . 65.14 108.39 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG11 HD13 ' A' ' 33' ' ' LEU . 13.0 m -128.61 157.42 41.21 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 C-N-CA 123.907 0.883 . . . . 53.42 108.738 171.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -82.06 -70.82 0.52 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.194 -0.669 . . . . 74.35 109.194 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 4.1 t70 -142.19 -174.35 4.08 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.588 -0.733 . . . . 72.33 109.912 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HA ' HD11 ' A' ' 65' ' ' ILE . 35.0 t70 -72.37 -21.22 61.33 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.765 0.426 . . . . 75.24 111.735 -169.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.98 -45.39 90.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.487 0.715 . . . . 73.12 110.533 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.55 -35.28 75.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.397 1.079 . . . . 73.4 110.819 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.447 HG23 ' HD2' ' A' ' 83' ' ' LYS . 84.5 mt -63.99 -41.73 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 114.634 -1.166 . . . . 74.04 111.443 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.66 -40.66 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 117.941 0.337 . . . . 64.34 111.221 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -69.76 -34.92 74.44 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.965 0.791 . . . . 73.4 110.709 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.459 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 50.2 t90 -69.56 -33.63 73.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.221 -0.9 . . . . 75.11 110.56 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.521 HD13 HG13 ' A' ' 7' ' ' VAL . 1.8 mp -78.97 -37.53 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.403 0.681 . . . . 74.41 109.817 173.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.738 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 32.9 t70 -59.7 -41.51 90.93 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.971 -1.013 . . . . 71.31 111.539 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.68 -40.83 98.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.68 -0.691 . . . . 73.4 111.051 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 HG21 HD12 ' A' ' 5' ' ' ILE . 60.0 mt -67.11 -32.08 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.088 0.555 . . . . 71.32 110.512 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.738 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 46.9 mtmt -60.04 -38.28 82.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.155 -0.475 . . . . 74.4 111.256 174.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.59 -48.41 12.73 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.184 0.594 . . . . 74.32 110.956 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -66.0 -44.61 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.054 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -125.7 71.63 67.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 114.902 -1.044 . . . . 72.51 109.17 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.0 17.41 1.55 Allowed 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.826 2.351 . . . . 64.55 112.869 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -103.39 0.72 31.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.297 1.039 . . . . 71.43 111.198 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.77 169.96 15.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.234 0.613 . . . . 74.4 111.259 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.559 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 6.1 pt-20 -114.9 137.42 51.99 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.342 1.057 . . . . 74.42 108.859 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -120.69 130.33 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.529 0.732 . . . . 72.23 109.378 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -127.03 125.44 41.41 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.056 0.542 . . . . 62.52 110.634 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HD2' HG23 ' A' ' 65' ' ' ILE . 37.1 mtmt -76.58 132.26 39.38 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.508 0.723 . . . . 75.44 110.235 171.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 89' ' ' GLN . 66.6 t -123.65 91.58 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.047 -1.094 . . . . 72.22 108.047 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.71 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 55.5 p -82.17 -41.18 20.71 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.356 0.598 . . . . 74.32 110.219 -178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.46 156.83 18.54 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.282 -0.872 . . . . 72.13 110.449 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.25 -39.38 86.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.447 1.099 . . . . 72.33 111.687 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.42 -30.12 66.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.944 0.898 . . . . 74.31 111.471 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.534 ' HB2' HG11 ' A' ' 84' ' ' VAL . 9.7 mm100 -71.98 -39.59 69.2 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.31 110.276 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.69 -37.18 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.518 0.727 . . . . 72.52 111.396 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -75.04 -29.53 60.79 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.65 0.78 . . . . 74.32 110.278 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.55 -46.48 54.25 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.349 0.659 . . . . 72.35 110.958 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 97' ' ' LEU . 32.1 pt -66.17 -23.79 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 116.417 -0.356 . . . . 63.24 111.525 176.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD13 HD21 ' A' ' 19' ' ' LEU . 86.7 mt -64.55 -44.93 89.22 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 117.852 0.296 . . . . 74.24 110.333 168.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 54.8 mt-10 -63.89 -30.06 71.18 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.746 0.418 . . . . 74.42 111.146 173.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 35.8 t70 -82.05 -32.54 30.35 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.502 -0.772 . . . . 74.21 111.145 -173.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 93' ' ' ILE . 5.8 mp -75.34 -29.33 59.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.348 0.659 . . . . 75.45 110.703 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -37.6 26.38 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.714 0.406 . . . . 74.43 111.651 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 9.8 ptmm? -76.08 -11.85 60.01 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 110.39 -0.226 . . . . 75.24 110.39 168.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 65.43 91.05 0.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.568 1.547 . . . . 73.42 110.645 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.22 138.05 34.0 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.079 -0.964 . . . . 70.5 112.431 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.5 t -168.05 165.79 13.35 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.419 0.688 . . . . 71.35 110.277 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.8 -7.53 28.49 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.897 0.879 . . . . 73.32 111.524 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 108' ' ' HIS . 38.9 mt-10 -76.81 40.43 0.24 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 125.49 1.516 . . . . 75.44 113.022 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -80.67 -9.11 59.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.413 0.685 . . . . 72.44 109.926 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -88.71 47.5 1.51 Allowed 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.089 1.356 . . . . 72.14 109.727 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.7 m80 70.11 126.21 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 125.591 1.556 . . . . 73.4 111.623 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 104' ' ' GLU . 20.3 p80 -130.73 119.15 21.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.924 0.889 . . . . 72.4 109.699 -177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -167.93 138.75 2.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.854 -1.165 . . . . 73.51 107.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 . . . . . 0 CA--C 1.551 1.009 0 CA-C-O 118.641 -0.695 . . . . 64.32 109.488 174.499 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.685 -0.487 . . . . 70.21 109.685 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.91 18.78 74.69 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.538 0.524 . . . . 52.14 113.023 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -105.68 155.46 19.23 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.126 0.97 . . . . 71.23 110.326 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 38.1 ttmt -137.36 126.89 25.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.547 -0.908 . . . . 74.32 108.547 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 79' ' ' LEU . 40.2 pt -98.86 143.09 13.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.549 -0.908 . . . . 74.0 108.549 167.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.433 HG22 ' CD1' ' A' ' 93' ' ' ILE . 34.9 mm -113.72 136.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.944 -1.502 . . . . 72.42 106.944 169.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.628 HG11 HD13 ' A' ' 69' ' ' ILE . 49.4 t -111.11 104.71 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.344 -1.354 . . . . 73.21 107.344 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.6 mt -104.85 125.27 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.201 -0.666 . . . . 71.4 109.201 -172.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 65' ' ' ILE . 3.0 mp -94.87 93.14 3.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 106.511 -1.663 . . . . 74.33 106.511 -176.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -86.14 103.76 15.09 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.089 -1.078 . . . . 65.11 108.089 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.4 p -131.65 123.44 27.81 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.768 -1.105 . . . . 71.02 108.846 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 77.17 -54.66 0.55 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.802 1.641 . . . . 74.24 112.836 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.88 157.48 17.73 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.994 0.917 . . . . 71.51 111.214 -173.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -107.13 -13.42 15.17 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.992 1.317 . . . . 54.2 112.945 -169.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -60.17 -30.95 69.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.851 -0.531 . . . . 74.11 111.021 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.67 -38.98 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.718 0.807 . . . . 75.11 110.665 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -69.33 -39.41 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.401 1.08 . . . . 73.22 110.331 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -68.47 -39.03 81.54 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.764 0.826 . . . . 72.02 111.316 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD21 HD11 ' A' ' 94' ' ' LEU . 96.2 mt -70.6 -38.53 73.99 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.489 0.716 . . . . 74.04 110.271 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.47 -38.15 52.45 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.497 1.119 . . . . 75.22 112.47 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.74 -33.51 75.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.328 1.051 . . . . 73.34 111.125 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -75.99 -36.3 59.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.335 0.654 . . . . 75.34 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.49 HG23 HD23 ' A' ' 97' ' ' LEU . 2.0 mp -63.9 -55.04 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 122.774 0.43 . . . . 75.41 110.674 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HB3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -68.6 -18.87 64.41 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.197 0.443 . . . . 75.43 112.197 -176.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.93 -24.79 64.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.872 0.869 . . . . 73.34 111.711 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.57 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 75.1 mm-40 -69.91 1.28 4.63 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.802 0.841 . . . . 75.34 112.953 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.48 7.38 55.86 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.212 -0.755 . . . . 70.42 111.212 -172.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 8.9 mt -94.12 175.48 6.69 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.919 0.887 . . . . 74.23 109.682 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -122.73 153.08 39.94 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.984 -0.447 . . . . 74.32 110.276 161.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 24' ' ' LYS . 94.5 t -115.93 139.75 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.639 1.176 . . . . 75.14 109.19 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 91.5 m-85 -107.68 112.35 25.0 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 107.315 -1.365 . . . . 63.53 107.315 171.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.1 mm -87.23 121.68 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 108.515 -0.92 . . . . 64.33 108.515 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD12 HG13 ' A' ' 59' ' ' VAL . 35.3 mt -96.18 101.97 13.69 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.575 -0.898 . . . . 75.24 108.575 171.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD13 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.13 121.04 29.04 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.199 -1.364 . . . . 74.22 108.433 -173.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HE3' HD12 ' A' ' 65' ' ' ILE . 15.8 ptpt -127.91 119.6 25.9 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.733 0.813 . . . . 74.24 108.819 176.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -135.77 166.41 23.34 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 107.574 -1.269 . . . . 71.2 107.574 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -84.22 -9.5 58.47 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.07 0.548 . . . . 74.41 111.245 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -129.03 108.02 10.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.594 1.158 . . . . 70.32 109.678 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.1 -27.8 64.02 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.343 1.238 . . . . 74.02 114.343 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.86 -59.81 4.07 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.723 -0.473 . . . . 75.02 109.723 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -76.07 -23.74 55.04 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.307 -0.406 . . . . 75.53 110.959 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 34' ' ' LEU . 6.7 tt -53.91 -56.27 19.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.83 0.852 . . . . 71.31 109.446 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.87 -18.54 53.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.947 -1.024 . . . . 74.4 111.354 -173.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.79 -47.29 84.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.659 -0.867 . . . . 75.21 108.659 167.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 4.3 ttmp? -67.39 -31.95 72.53 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 123.97 0.794 . . . . 74.21 111.027 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 56' ' ' VAL . 35.9 mt -57.56 -48.23 83.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 109.919 -0.401 . . . . 70.5 109.919 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.05 -32.24 68.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.752 -0.658 . . . . 73.13 111.474 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 10.9 mmpt? -63.73 -53.78 45.66 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.274 0.359 . . . . 75.55 110.508 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HB2' HG23 ' A' ' 56' ' ' VAL . 96.0 mt -62.14 -38.93 90.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.986 0.915 . . . . 74.51 111.808 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -68.37 -30.74 69.75 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 122.497 -0.127 . . . . 75.34 111.136 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -70.06 -32.54 70.69 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.863 0.465 . . . . 75.3 111.091 172.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -72.89 -17.58 61.5 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.0 0.92 . . . . 74.54 111.015 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 66.31 0.76 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 111.247 -0.741 . . . . 75.43 111.247 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -141.19 167.59 21.82 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.329 1.052 . . . . 73.44 108.505 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -109.3 121.26 44.78 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.07 -1.826 . . . . 74.22 106.07 164.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 49' ' ' LEU . 19.9 t -126.47 143.84 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.91 -0.404 . . . . 74.44 109.91 -173.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.42 144.56 44.55 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.307 0.643 . . . . 73.42 109.73 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -79.39 129.0 34.05 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.457 -0.942 . . . . 75.4 108.457 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG13 HD12 ' A' ' 33' ' ' LEU . 8.3 m -125.52 157.27 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.612 0.765 . . . . 75.34 110.374 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.49 -73.5 0.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.038 -0.983 . . . . 74.22 110.225 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.77 163.51 12.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.897 -0.779 . . . . 74.2 108.897 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.44 -35.39 70.9 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.852 0.461 . . . . 71.34 110.998 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.13 -40.89 62.01 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.076 0.95 . . . . 73.44 111.45 165.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.42 -36.85 71.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.963 0.905 . . . . 71.34 110.249 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.472 HG23 HD13 ' A' ' 33' ' ' LEU . 63.4 mt -61.77 -51.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.896 0.878 . . . . 72.3 111.189 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.99 -36.08 83.24 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.195 0.598 . . . . 61.45 110.63 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -30.54 67.95 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.758 -1.11 . . . . 72.12 110.185 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.427 ' CZ3' HD12 ' A' ' 72' ' ' ILE . 5.7 t90 -65.34 -31.48 72.63 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.923 0.889 . . . . 75.32 110.657 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.628 HD13 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -83.23 -34.65 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.082 0.553 . . . . 61.13 109.623 176.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.672 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 31.5 t70 -57.0 -42.22 79.89 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.792 -0.64 . . . . 71.43 110.897 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.597 ' HZ3' ' HB3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -74.37 -27.46 60.67 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.574 -0.727 . . . . 65.33 111.81 177.686 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.427 HD12 ' CZ3' ' A' ' 68' ' ' TRP . 75.2 mt -59.94 -40.24 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 118.451 0.569 . . . . 75.3 109.722 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 50.7 mtmt -64.69 -17.26 63.93 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.129 -0.487 . . . . 75.31 111.502 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -92.23 -45.67 8.12 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.499 0.719 . . . . 73.01 111.464 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 21.2 mm-40 -73.37 -52.5 13.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.513 0.725 . . . . 73.53 111.502 -171.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -140.75 76.83 22.94 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.232 1.013 . . . . 75.13 110.375 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -91.85 15.18 1.68 Allowed 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.593 2.195 . . . . 74.35 113.907 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -92.28 12.5 22.24 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.999 0.519 . . . . 72.43 111.409 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -140.11 155.94 46.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.769 1.228 . . . . 75.2 109.662 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -78.31 145.38 35.38 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.829 0.452 . . . . 74.14 110.415 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -128.85 122.15 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.337 0.655 . . . . 75.04 109.766 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -127.26 137.92 52.97 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.787 0.835 . . . . 73.44 109.108 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -99.01 133.98 42.51 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.549 -0.537 . . . . 75.41 109.549 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 93' ' ' ILE . 46.2 t -125.29 96.01 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.475 1.11 . . . . 71.13 109.832 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.6 p -85.71 -37.56 19.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.185 0.594 . . . . 74.44 110.833 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.436 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 4.7 m-20 -97.17 151.8 19.45 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 61.33 110.687 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 20.3 tt0 -59.88 -39.43 85.27 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.912 0.758 . . . . 74.31 110.642 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -54.78 -34.39 62.6 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.663 1.185 . . . . 63.14 111.64 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 82.0 mt-30 -76.74 -30.61 56.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.159 -0.928 . . . . 75.32 110.33 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -72.76 -25.49 61.2 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.499 0.72 . . . . 74.11 111.685 173.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 20.5 mtpp -78.99 -34.43 44.13 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.582 0.753 . . . . 74.4 109.816 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -72.48 -39.89 67.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.72 0.808 . . . . 73.32 111.294 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.58 HD13 HG23 ' A' ' 84' ' ' VAL . 20.0 pt -64.47 -28.41 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 112.589 0.588 . . . . 74.01 112.589 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 19' ' ' LEU . 81.1 mt -52.64 -33.03 44.95 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.65 0.38 . . . . 74.34 110.962 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.511 ' HB3' ' HE2' ' A' ' 99' ' ' LYS . 41.7 mt-10 -81.95 -52.22 7.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.274 0.63 . . . . 71.34 110.939 172.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t70 -41.9 -45.34 3.69 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 125.657 1.583 . . . . 71.44 114.177 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.49 HD23 HG23 ' A' ' 23' ' ' ILE . 5.6 mp -55.88 -37.46 68.87 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.652 1.181 . . . . 74.24 111.61 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -86.97 -38.15 16.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.206 -1.361 . . . . 63.01 110.595 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 95' ' ' GLU . 68.2 mttm -59.46 -57.14 14.28 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.152 0.981 . . . . 72.35 111.172 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -156.77 136.0 12.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.403 -0.817 . . . . 72.42 110.41 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.11 -37.11 4.47 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.94 -0.573 . . . . 64.25 111.985 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.8 t -168.79 134.89 1.77 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.187 0.995 . . . . 74.32 110.234 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.9 -54.2 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.874 0.87 . . . . 71.44 110.239 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -71.05 -26.1 62.94 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.845 -1.07 . . . . 74.31 112.179 -170.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -92.27 91.38 7.69 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.031 -1.1 . . . . 70.24 108.031 175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.75 78.13 7.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.764 0.826 . . . . 75.34 111.315 -171.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -163.38 119.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 106.924 -1.509 . . . . 72.15 106.924 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -108.41 -44.73 4.04 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.236 -0.653 . . . . 70.43 109.236 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -86.38 120.09 27.35 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.804 -1.184 . . . . 75.15 107.804 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 CA--C 1.564 1.509 0 C-N-CA 124.772 1.229 . . . . 74.24 109.674 -171.491 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 109.335 -0.617 . . . . 73.35 109.335 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.609 ' HA3' ' HE3' ' A' ' 100' ' ' LYS . . . 64.91 56.57 15.62 Favored Glycine 0 C--N 1.352 1.45 0 O-C-N 123.587 0.554 . . . . 61.02 113.703 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 80' ' ' GLU . 22.2 p -69.54 131.6 44.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.124 0.57 . . . . 74.15 110.486 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -165.38 152.29 10.38 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.377 0.671 . . . . 75.45 110.375 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 HG21 HD22 ' A' ' 79' ' ' LEU . 39.0 pt -136.52 156.95 36.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 125.066 1.346 . . . . 74.13 107.574 167.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.496 HG21 HD13 ' A' ' 93' ' ' ILE . 50.0 mm -120.6 137.36 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.039 -0.726 . . . . 75.5 109.039 176.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG13 HD12 ' A' ' 69' ' ' ILE . 60.2 t -115.95 114.8 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.143 -1.058 . . . . 65.3 108.143 176.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.56 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 37.6 mt -110.57 120.24 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 72.53 110.869 -171.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.06 95.81 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 106.761 -1.57 . . . . 74.15 106.761 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.419 ' HB3' HD21 ' A' ' 34' ' ' LEU . 45.4 t -89.71 107.6 19.19 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.356 0.662 . . . . 74.43 110.824 -171.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 p -140.71 150.82 43.94 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.445 1.098 . . . . 74.33 109.428 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 67.62 -76.3 0.05 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.784 1.633 . . . . 74.54 111.839 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -83.76 132.03 34.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.033 0.533 . . . . 61.11 110.717 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -76.94 -11.53 59.82 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.93 -0.577 . . . . 70.1 109.896 169.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 m -52.12 -35.09 47.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.697 1.199 . . . . 74.13 112.371 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.01 -35.79 80.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.017 0.527 . . . . 75.13 110.68 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 49' ' ' LEU . 40.5 mt-10 -68.6 -39.71 80.75 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.909 0.884 . . . . 54.21 110.028 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.14 -50.74 37.49 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.409 -0.814 . . . . 64.23 110.955 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -56.61 -39.74 74.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.336 1.054 . . . . 72.44 110.861 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.6 -32.87 8.81 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.292 1.437 . . . . 73.01 113.202 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -63.49 -49.54 73.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.091 0.956 . . . . 74.23 111.0 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 70.0 mmtt -70.21 -25.87 63.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.27 0.47 . . . . 63.51 112.27 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.501 HG23 HD22 ' A' ' 97' ' ' LEU . 2.1 mp -62.5 -61.92 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.212 -0.662 . . . . 75.12 109.212 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HB3' HG21 ' A' ' 30' ' ' VAL . 12.4 ptpt -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.134 0.79 . . . . 65.14 113.134 -173.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.33 -25.87 50.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.372 1.069 . . . . 74.0 111.653 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -68.96 -18.69 64.11 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.287 0.635 . . . . 72.11 112.181 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -16.1 6.78 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 122.928 0.299 . . . . 71.51 113.288 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -82.41 166.47 19.37 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.713 0.805 . . . . 74.22 111.237 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -97.73 148.89 22.89 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.975 0.91 . . . . 74.32 110.192 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 24' ' ' LYS . 86.0 t -121.16 132.04 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.055 0.942 . . . . 73.24 110.097 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.6 m-30 -104.67 129.45 52.84 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.772 -1.566 . . . . 72.3 106.772 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' HB ' HG21 ' A' ' 56' ' ' VAL . 30.0 mm -108.8 116.62 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 118.765 0.711 . . . . 74.23 109.503 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD13 HG12 ' A' ' 59' ' ' VAL . 39.0 mt -89.08 105.49 17.82 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.035 -0.728 . . . . 75.35 109.035 172.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -90.79 126.58 36.06 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.802 -1.09 . . . . 75.31 108.923 -174.333 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -131.56 120.13 22.47 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.75 0.82 . . . . 75.41 109.253 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.482 ' H ' HD11 ' A' ' 42' ' ' LEU . 16.3 t70 -134.28 157.38 46.47 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.226 -1.027 . . . . 74.42 108.226 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -82.81 -4.99 58.74 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.692 0.397 . . . . 73.41 111.607 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.07 109.56 12.53 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.421 -1.326 . . . . 75.04 107.421 169.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.53 -26.51 21.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.834 1.254 . . . . 74.41 114.283 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -41.38 34.24 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.703 0.401 . . . . 70.42 109.973 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -68.75 -32.47 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.221 -0.659 . . . . 74.43 109.221 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD11 ' H ' ' A' ' 36' ' ' ASP . 5.7 tt -60.08 -51.53 69.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.584 1.154 . . . . 73.03 109.329 168.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.79 -42.55 99.15 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.226 1.011 . . . . 74.44 111.96 -170.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 9.3 pt-20 -72.8 -38.76 67.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.884 -0.598 . . . . 64.31 110.0 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -56.53 -40.11 74.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.011 0.924 . . . . 70.44 110.817 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG21 ' HB ' ' A' ' 56' ' ' VAL . 78.4 mt -51.49 -52.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.219 0.95 . . . . 73.0 109.661 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -68.87 -27.01 65.42 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.631 0.772 . . . . 74.42 112.104 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 31.5 mmtp -66.12 -49.86 66.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.196 -0.668 . . . . 73.11 109.196 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.528 ' HB2' HG22 ' A' ' 56' ' ' VAL . 82.5 mt -70.25 -37.72 74.98 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.578 -1.192 . . . . 72.22 111.697 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 46.9 mtpt -71.02 -28.68 64.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.531 0.333 . . . . 74.21 111.158 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -63.55 -37.36 87.02 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.88 0.472 . . . . 73.24 110.724 171.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -76.29 -23.14 54.37 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.705 -0.68 . . . . 71.45 110.876 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 84.36 1.79 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.93 -0.868 . . . . 63.01 110.93 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 69.3 m-85 -150.44 139.56 21.13 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 125.054 1.342 . . . . 71.21 107.501 172.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -81.61 74.74 8.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.835 0.826 . . . . 73.1 110.636 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -87.54 130.76 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.221 -0.9 . . . . 74.21 110.472 -174.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -126.24 151.92 46.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.489 1.116 . . . . 72.41 109.825 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.41 126.0 36.35 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.66 0.784 . . . . 75.25 109.485 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 HD13 ' A' ' 33' ' ' LEU . 12.0 m -116.63 177.82 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.826 0.85 . . . . 64.04 109.817 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.32 -69.47 0.72 Allowed 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.152 0.981 . . . . 71.34 109.102 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -166.94 -169.83 1.4 Allowed 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.919 -0.771 . . . . 71.31 108.919 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.56 -23.98 59.71 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 113.339 0.866 . . . . 72.32 113.339 -166.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.08 -60.4 3.48 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.421 1.076 . . . . 74.34 110.975 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -24.83 58.6 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.788 -0.449 . . . . 73.3 109.788 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.76 -50.14 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.182 0.993 . . . . 74.43 110.964 173.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.97 -32.16 71.72 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.746 0.418 . . . . 72.43 111.281 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -81.43 -24.29 36.97 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.893 0.477 . . . . 74.21 110.966 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CZ3' HG13 ' A' ' 72' ' ' ILE . 60.9 t90 -68.09 -42.28 80.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.14 -0.689 . . . . 74.42 109.14 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.507 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.2 mp -73.85 -34.4 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 116.114 -0.493 . . . . 73.21 110.174 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.54 -45.62 73.45 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.267 0.627 . . . . 74.25 111.114 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 5.1 ptpp? -78.34 -33.44 49.13 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.997 -0.525 . . . . 75.41 111.739 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.418 HG13 ' CZ3' ' A' ' 68' ' ' TRP . 14.8 mm -63.48 -38.59 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-N 118.49 0.586 . . . . 72.43 111.245 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -68.97 -28.26 66.46 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.451 0.469 . . . . 75.0 110.737 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -82.1 -30.25 31.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.972 0.909 . . . . 74.41 111.296 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 9.2 mm-40 -87.92 -40.46 13.93 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.48 0.657 . . . . 71.35 109.788 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -125.24 78.08 67.39 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.574 1.15 . . . . 74.31 108.656 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -89.08 1.37 6.04 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.192 2.594 . . . . 74.22 115.012 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -89.71 13.05 15.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.111 0.782 . . . . 75.23 113.111 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -149.65 164.72 34.4 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.521 0.728 . . . . 74.51 111.322 -175.647 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 3' ' ' SER . 6.0 mm-40 -77.23 152.17 34.83 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.934 -0.765 . . . . 71.32 108.934 174.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.84 123.21 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.479 -0.934 . . . . 74.24 108.479 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -118.5 132.18 56.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.98 0.912 . . . . 70.4 109.718 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.507 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.9 mtmm -91.72 119.91 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.993 -0.743 . . . . 74.22 108.993 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 55.6 t -106.16 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.466 -0.938 . . . . 64.44 108.466 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -88.99 -18.94 26.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.617 -0.719 . . . . 64.4 110.535 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.19 152.08 35.55 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.518 1.127 . . . . 74.45 110.144 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.43 -34.81 72.96 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.859 0.864 . . . . 73.14 110.79 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.53 -40.76 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.719 1.208 . . . . 75.45 111.71 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.45 -41.79 98.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.572 0.545 . . . . 72.33 109.862 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.57 68.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.794 0.838 . . . . 63.35 112.441 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.58 -35.74 22.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.285 0.634 . . . . 75.32 111.927 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -70.4 -42.27 71.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.433 0.293 . . . . 73.11 111.128 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.548 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 18.6 pt -56.66 -29.14 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 112.945 0.72 . . . . 73.42 112.945 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 70.4 mt -48.15 -51.37 25.21 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.33 0.394 . . . . 72.12 110.337 170.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.15 -34.01 63.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.686 0.794 . . . . 64.44 111.117 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.6 t70 -61.98 -31.45 71.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.195 0.998 . . . . 74.12 110.377 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.501 HD22 HG23 ' A' ' 23' ' ' ILE . 10.3 mp -78.74 -34.19 45.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.961 0.904 . . . . 71.2 111.323 175.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 1.6 mmmp? -73.37 -34.26 65.48 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 120.594 0.235 . . . . 74.13 111.434 -174.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.14 0.25 6.54 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 113.647 0.98 . . . . 74.4 113.647 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.609 ' HE3' ' HA3' ' A' ' 2' ' ' GLY . 21.3 ptmt -71.63 -27.57 63.18 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.602 0.361 . . . . 63.21 110.74 175.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.05 87.38 0.48 Allowed Glycine 0 C--N 1.355 1.627 0 O-C-N 123.526 0.516 . . . . 61.32 112.429 -177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.5 t -136.03 163.57 30.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.68 0.792 . . . . 75.44 110.437 -177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.34 -60.13 2.44 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.382 -0.969 . . . . 74.34 108.382 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -84.13 130.0 34.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.876 0.471 . . . . 64.23 111.218 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -142.98 90.44 2.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.819 1.248 . . . . 74.3 108.967 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -65.28 107.67 1.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.637 0.775 . . . . 75.42 110.175 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -77.23 89.28 3.69 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.824 0.849 . . . . 74.32 109.884 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -75.89 89.29 2.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.99 -1.005 . . . . 74.03 109.436 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -127.43 150.95 49.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.374 0.669 . . . . 73.33 109.701 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 108.028 -1.101 . . . . 74.55 108.028 172.013 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.138 -0.319 . . . . 73.02 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.59 36.79 36.91 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.648 -0.981 . . . . 71.12 110.648 -169.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -78.14 130.14 36.01 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.936 0.894 . . . . 73.03 109.704 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 79' ' ' LEU . 18.1 ptpt -88.14 174.12 8.42 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.507 -0.553 . . . . 74.44 109.507 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.51 HG21 HD22 ' A' ' 79' ' ' LEU . 31.7 pt -125.48 145.37 32.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.739 0.78 . . . . 75.24 109.127 170.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.5 140.09 37.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.414 -1.328 . . . . 74.12 107.414 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.617 HG11 HD11 ' A' ' 69' ' ' ILE . 62.0 t -121.34 115.04 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.288 -1.004 . . . . 74.32 108.288 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.0 mt -106.96 129.65 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.044 -0.724 . . . . 74.05 109.044 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.8 mp -95.27 95.3 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 106.287 -1.746 . . . . 74.35 106.287 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -105.26 136.26 45.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.929 0.491 . . . . 72.24 110.943 -171.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -139.23 94.0 2.75 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.089 -0.96 . . . . 74.21 110.47 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 77.41 -51.01 0.54 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.702 1.601 . . . . 73.2 113.843 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' HB2' HD11 ' A' ' 16' ' ' LEU . 21.9 m-20 -53.35 115.9 2.15 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.338 1.055 . . . . 63.44 112.384 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -74.64 -17.66 60.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.724 0.809 . . . . 65.23 112.958 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -59.56 -38.73 81.89 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.695 0.798 . . . . 72.13 111.665 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 13' ' ' ASP . 6.3 mp -76.54 -24.06 53.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.458 0.303 . . . . 74.43 110.358 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.66 -47.75 44.89 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.991 0.917 . . . . 71.12 110.788 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.47 -39.09 71.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.061 -0.518 . . . . 63.11 110.987 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.54 -35.0 79.55 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.437 0.461 . . . . 74.41 110.688 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.76 68.47 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.473 0.709 . . . . 75.04 111.621 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -70.95 -33.61 70.65 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.453 -0.794 . . . . 75.12 110.958 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.03 -38.16 66.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.565 0.746 . . . . 52.21 111.338 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.91 -41.38 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.696 0.399 . . . . 75.13 110.546 175.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HB3' HG22 ' A' ' 30' ' ' VAL . 12.6 ptpt -73.73 -19.96 60.65 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 121.724 -0.61 . . . . 74.21 112.185 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.14 -20.19 65.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 74.01 111.224 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' HG3' HD23 ' A' ' 97' ' ' LEU . 20.3 mm-40 -69.14 -15.65 63.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.528 0.731 . . . . 74.25 111.223 174.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.06 20.64 10.99 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 116.626 -0.261 . . . . 73.45 113.056 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD23 HD22 ' A' ' 97' ' ' LEU . 4.1 pp -125.89 170.1 11.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.397 0.679 . . . . 63.12 109.926 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -94.35 147.98 22.68 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.128 0.418 . . . . 75.03 112.128 -173.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' HB3' ' A' ' 24' ' ' LYS . 40.7 t -125.53 133.47 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.892 0.877 . . . . 73.4 109.909 177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 76.2 m-85 -111.71 133.97 53.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.273 -1.38 . . . . 75.3 107.273 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -114.21 123.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 109.118 -0.697 . . . . 75.33 109.118 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 65' ' ' ILE . 47.8 mt -104.73 112.66 25.84 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.978 -0.749 . . . . 74.44 108.978 176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -97.6 128.18 44.12 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.191 0.996 . . . . 73.22 109.711 -175.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -140.27 120.69 14.05 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.57 0.748 . . . . 74.05 109.026 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t70 -132.89 171.36 14.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.383 -0.969 . . . . 73.13 108.383 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -74.02 -30.99 62.73 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.263 0.625 . . . . 64.41 111.414 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -118.62 106.48 12.66 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.672 -0.862 . . . . 72.22 108.672 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.1 -18.63 26.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.071 1.508 . . . . 75.23 115.071 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -74.75 -57.08 4.14 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.773 0.715 . . . . 71.2 110.782 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -66.46 -28.58 68.7 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.771 0.428 . . . . 75.23 110.063 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 26.9 tp -55.94 -57.58 11.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.112 1.365 . . . . 75.01 111.611 170.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' HD11 ' A' ' 46' ' ' ILE . 47.7 mt-10 -80.47 -13.78 58.83 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.06 -0.518 . . . . 71.34 112.019 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.6 mm-40 -69.47 -45.47 68.94 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.224 -0.658 . . . . 74.21 109.224 167.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.11 -36.37 77.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.878 0.871 . . . . 75.22 110.354 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.508 HD11 ' HG2' ' A' ' 43' ' ' GLU . 46.5 mt -61.19 -43.76 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.562 0.745 . . . . 74.52 110.439 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 25.1 mm-40 -67.57 -35.86 79.81 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.176 0.297 . . . . 64.55 110.97 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 41.7 mmtm -65.3 -42.99 92.52 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.925 0.49 . . . . 74.44 110.044 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.0 -38.14 69.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.876 -1.056 . . . . 74.41 112.085 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -67.64 -33.82 75.72 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.144 -0.347 . . . . 72.54 110.448 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -67.41 -33.41 75.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.118 0.567 . . . . 74.22 111.671 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.79 -10.62 60.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.244 0.617 . . . . 74.24 111.082 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.26 65.0 1.22 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 111.725 -0.55 . . . . 60.3 111.725 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.69 138.25 32.31 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.725 -0.843 . . . . 71.11 108.725 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.73 97.51 5.19 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.915 -1.143 . . . . 63.2 107.915 168.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.487 ' HB ' HG21 ' A' ' 46' ' ' ILE . 14.3 t -107.47 136.18 43.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.221 -0.9 . . . . 74.14 108.958 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -128.72 144.64 51.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.945 0.898 . . . . 73.24 108.601 -176.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -86.26 129.81 34.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.421 -1.325 . . . . 74.22 107.421 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -119.62 157.67 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.421 0.688 . . . . 75.05 109.834 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -78.99 -45.63 19.85 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.943 -1.026 . . . . 75.01 110.399 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.5 176.23 9.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.598 -1.183 . . . . 74.31 108.796 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.9 -24.42 60.84 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.114 0.415 . . . . 71.24 110.208 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.16 -52.5 34.83 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.523 1.129 . . . . 71.34 110.401 163.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.12 -34.24 77.62 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.799 -1.091 . . . . 73.14 110.515 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 33' ' ' LEU . 69.1 mt -64.54 -49.34 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.229 1.012 . . . . 73.4 112.506 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.91 -34.18 76.89 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 121.13 0.49 . . . . 71.5 111.427 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -77.35 -29.53 53.43 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.295 -0.866 . . . . 63.32 110.914 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.434 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.9 t90 -64.7 -45.01 88.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.046 0.938 . . . . 75.51 108.919 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.617 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -72.54 -32.39 41.4 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 72.05 110.094 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.71 -50.71 67.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.772 0.829 . . . . 73.43 110.629 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -74.35 -28.8 61.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.837 -0.619 . . . . 70.22 111.519 -176.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -64.91 -41.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.582 0.353 . . . . 75.43 110.482 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -67.36 -31.1 71.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.307 0.643 . . . . 65.34 111.017 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -74.45 -41.49 60.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.047 0.939 . . . . 72.42 110.469 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.7 mm-40 -70.92 -42.67 69.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.393 0.677 . . . . 65.1 110.18 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.34 88.51 43.92 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.148 0.979 . . . . 74.24 109.858 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -86.06 -2.83 8.81 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 122.846 2.364 . . . . 74.12 113.241 173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -72.73 -0.02 12.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.51 0.559 . . . . 74.24 112.51 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.51 HD22 HG21 ' A' ' 5' ' ' ILE . 1.2 pp -142.16 165.64 26.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.205 1.002 . . . . 75.43 110.79 -175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.68 143.55 27.11 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 108.436 -0.95 . . . . 71.13 108.436 168.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.58 111.74 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.423 -0.954 . . . . 73.33 108.423 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -110.65 114.27 27.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.982 0.913 . . . . 75.32 109.815 -170.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.0 mtmm -76.79 120.55 22.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.27 -0.641 . . . . 75.12 109.27 172.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 89' ' ' GLN . 63.1 t -113.9 90.93 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.711 1.204 . . . . 74.13 108.809 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 45.2 p -84.73 -37.5 20.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.004 -0.544 . . . . 74.11 110.435 -177.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.568 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 5.1 m-20 -98.18 146.97 25.07 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.692 0.797 . . . . 71.13 110.378 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -36.46 70.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.9 1.28 . . . . 74.31 110.703 168.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 4.2 m-20 -52.35 -44.54 65.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.111 -0.949 . . . . 61.53 110.961 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.568 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 72.8 mt-30 -65.53 -36.2 83.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.609 0.764 . . . . 74.02 111.111 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.94 -29.92 71.05 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.784 0.677 . . . . 72.41 111.367 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.406 ' HA ' HD13 ' A' ' 94' ' ' LEU . 96.3 mttt -82.55 -32.44 28.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.927 -0.579 . . . . 73.43 112.189 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.7 mm100 -68.0 -43.68 78.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.928 0.331 . . . . 74.54 110.889 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.488 ' O ' HD13 ' A' ' 97' ' ' LEU . 16.5 pt -65.13 -28.33 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.544 0.572 . . . . 74.45 112.544 177.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 87.4 mt -53.82 -43.96 69.83 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.794 -0.447 . . . . 73.02 109.794 169.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 14.2 mm-40 -79.05 -26.96 43.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.996 0.918 . . . . 75.44 111.561 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.47 -42.8 95.69 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.56 0.744 . . . . 73.45 109.975 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.542 HD22 HD23 ' A' ' 28' ' ' LEU . 6.7 mp -70.21 -25.05 63.23 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.387 -1.279 . . . . 73.42 110.708 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 45.1 mmtm -80.8 -36.67 31.4 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.192 0.597 . . . . 73.41 110.719 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 65.7 mttm -64.89 -46.74 80.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.342 0.657 . . . . 73.1 109.964 174.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? 59.36 100.14 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.1 1.36 . . . . 75.15 111.377 174.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.96 164.8 50.43 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 115.866 -0.607 . . . . 61.21 112.824 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 m -63.03 126.83 28.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.46 0.704 . . . . 73.42 111.008 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -109.2 10.89 25.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.126 0.571 . . . . 71.42 110.171 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -76.93 133.23 39.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.147 0.579 . . . . 64.33 110.041 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -119.21 144.4 46.74 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.511 -0.922 . . . . 73.41 108.511 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -91.92 35.55 0.98 Allowed 'General case' 0 N--CA 1.484 1.23 0 CA-C-O 121.761 0.791 . . . . 74.2 109.696 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -134.3 107.05 7.42 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 125.486 1.514 . . . . 74.34 107.001 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -66.79 141.63 57.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.486 0.491 . . . . 72.34 112.144 -171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -132.6 138.15 47.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.524 1.13 . . . . 73.51 109.379 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.1 m170 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 108.535 -0.913 . . . . 75.03 108.535 173.068 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.352 -0.61 . . . . 74.13 109.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.0 85.36 0.1 OUTLIER Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.752 -0.539 . . . . 61.24 111.752 171.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -136.83 99.77 4.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.6 1.16 . . . . 64.21 109.937 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HG3' HD11 ' A' ' 28' ' ' LEU . 15.1 ptpt -145.38 136.22 24.55 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.968 -1.123 . . . . 74.05 107.968 163.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 79' ' ' LEU . 38.9 pt -105.5 142.91 17.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 109.326 -0.62 . . . . 73.31 109.326 175.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' HB ' HG21 ' A' ' 30' ' ' VAL . 45.2 mm -116.0 116.37 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.067 -1.086 . . . . 75.43 108.067 173.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.479 HG13 HD11 ' A' ' 69' ' ' ILE . 41.4 t -102.06 109.84 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.472 -0.936 . . . . 75.2 108.472 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.616 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 18.6 mt -102.66 119.99 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.451 0.7 . . . . 73.35 111.164 -172.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 HG13 HD12 ' A' ' 65' ' ' ILE . 2.7 mp -87.53 89.72 3.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 N-CA-C 106.265 -1.754 . . . . 65.04 106.265 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.492 ' HB3' HD22 ' A' ' 34' ' ' LEU . 39.8 t -88.78 102.8 15.37 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.536 -0.542 . . . . 74.25 109.536 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -94.89 73.53 3.53 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.234 -0.894 . . . . 75.34 109.687 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 74.89 -33.9 0.25 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 125.304 1.442 . . . . 72.25 114.14 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' HB3' HD11 ' A' ' 16' ' ' LEU . 14.8 t70 -75.87 136.19 40.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.151 0.58 . . . . 74.24 111.799 -166.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -84.08 -20.56 32.4 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.187 0.81 . . . . 74.54 113.187 -168.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -59.21 -34.73 72.52 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 122.158 -0.339 . . . . 73.33 111.024 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 13' ' ' ASP . 6.0 mp -70.85 -27.99 64.25 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.169 0.588 . . . . 73.51 110.71 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.44 -44.97 33.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.328 1.051 . . . . 71.03 111.325 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.9 -34.18 62.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.025 -0.534 . . . . 75.22 111.175 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD23 HD11 ' A' ' 94' ' ' LEU . 69.6 mt -66.86 -37.58 84.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.998 0.519 . . . . 74.05 109.917 175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 8' ' ' ILE . . . -54.99 -39.27 68.85 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.422 0.689 . . . . 72.22 111.699 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -67.97 -38.48 82.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.339 -0.846 . . . . 75.21 111.185 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.14 -47.02 86.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.685 0.615 . . . . 73.21 109.834 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 HG23 HG13 ' A' ' 6' ' ' ILE . 1.9 mp -68.94 -54.05 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 114.824 -1.08 . . . . 74.24 111.673 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.3 ptpt -70.71 -21.89 62.51 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.983 0.735 . . . . 75.23 112.983 -172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.48 -26.7 65.47 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.748 0.655 . . . . 62.32 111.261 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.11 -12.72 61.33 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.68 0.792 . . . . 74.42 112.478 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.24 -0.69 11.54 Favored Glycine 0 N--CA 1.474 1.192 0 N-CA-C 114.375 0.51 . . . . 53.52 114.375 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD11 ' HG3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -100.41 158.51 15.84 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.618 0.709 . . . . 75.35 110.306 179.2 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -84.79 143.02 29.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.885 0.474 . . . . 55.22 111.49 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 HG21 ' HB ' ' A' ' 6' ' ' ILE . 53.5 t -122.44 127.47 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 64.0 109.455 171.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.06 113.13 26.45 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.649 -0.871 . . . . 72.13 108.649 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HB ' HG22 ' A' ' 56' ' ' VAL . 35.0 mm -89.55 107.92 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.239 -0.652 . . . . 73.52 109.239 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 65' ' ' ILE . 48.5 mt -89.61 104.15 16.73 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.461 -0.94 . . . . 71.14 108.461 172.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD12 HD11 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -85.69 124.39 32.16 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.84 -0.8 . . . . 62.0 108.84 -174.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.56 123.43 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.704 -0.85 . . . . 74.45 108.704 168.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.41 166.81 21.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.736 0.815 . . . . 73.15 109.056 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -74.62 -43.72 54.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.866 0.466 . . . . 74.35 110.862 177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.03 152.2 20.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.68 -0.489 . . . . 71.24 109.68 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.565 ' HG3' ' HG2' ' A' ' 40' ' ' LYS . 10.3 pt-20 -75.63 -45.94 34.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.828 0.851 . . . . 65.33 110.875 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.565 ' HG2' ' HG3' ' A' ' 39' ' ' GLU . 32.4 mmtp -83.19 -36.14 24.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.029 0.532 . . . . 74.1 110.49 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -69.88 -30.44 67.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.901 0.48 . . . . 74.13 110.482 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 34' ' ' LEU . 57.9 tp -56.39 -55.66 30.78 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.88 0.872 . . . . 71.41 110.728 167.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 7.8 tp10 -63.64 -42.32 98.14 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 124.114 0.884 . . . . 75.52 112.402 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.74 -34.02 76.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.019 0.528 . . . . 63.42 111.114 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -65.06 -39.12 92.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.506 0.723 . . . . 73.11 110.21 175.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' HG12 ' A' ' 56' ' ' VAL . 93.3 mt -61.49 -45.72 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.112 0.965 . . . . 74.12 110.165 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -61.17 -45.47 94.49 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.277 0.631 . . . . 72.13 110.98 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 7.5 mmpt? -64.28 -47.64 78.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.361 -0.836 . . . . 72.15 111.667 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.515 ' HB2' HG23 ' A' ' 56' ' ' VAL . 87.5 mt -70.06 -34.98 73.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.859 0.464 . . . . 61.22 111.151 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -65.4 -37.66 87.63 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.019 0.372 . . . . 71.45 110.819 173.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -62.04 -33.44 74.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.606 0.762 . . . . 71.42 111.584 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 20.3 mt-30 -75.4 -9.76 58.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.929 0.492 . . . . 74.2 111.349 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.84 21.27 11.33 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 123.315 0.483 . . . . 64.3 113.162 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.36 142.22 28.75 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.456 0.703 . . . . 74.13 110.576 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.91 89.05 6.34 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.273 -1.01 . . . . 64.32 108.273 171.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 49' ' ' LEU . 11.9 t -98.55 126.13 51.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 115.289 -0.869 . . . . 75.13 109.58 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 28.3 mmm180 -120.4 145.03 47.58 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.244 1.017 . . . . 74.4 109.083 -175.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.553 ' HB2' ' HZ3' ' A' ' 58' ' ' LYS . 4.6 ttmp? -91.63 120.34 32.32 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.501 -0.926 . . . . 74.04 108.501 178.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 65' ' ' ILE . 9.5 m -118.64 146.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.17 0.988 . . . . 75.45 109.148 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.46 -41.0 80.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.949 0.5 . . . . 72.24 111.114 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -171.33 173.0 5.01 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.402 0.681 . . . . 45.22 110.328 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.35 -23.76 60.25 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.764 0.826 . . . . 73.2 111.692 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.37 -39.12 75.37 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.605 0.362 . . . . 75.3 111.172 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.6 -36.14 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.405 0.682 . . . . 72.22 111.089 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.495 HD12 HG13 ' A' ' 9' ' ' ILE . 67.6 mt -55.86 -34.33 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 115.23 -0.895 . . . . 74.12 111.587 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.74 -42.86 79.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.965 0.506 . . . . 74.53 111.87 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -27.32 55.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.805 0.842 . . . . 75.44 110.269 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.433 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 30.4 t90 -72.36 -32.82 66.78 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.466 0.706 . . . . 74.42 110.186 -178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 HD11 HG13 ' A' ' 7' ' ' VAL . 1.8 mp -81.49 -38.45 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 109.685 -0.487 . . . . 73.33 109.685 172.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.589 ' HA ' ' HD3' ' A' ' 73' ' ' LYS . 26.2 t70 -56.06 -39.52 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.807 0.843 . . . . 73.25 111.82 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -64.55 -39.91 94.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.936 -0.574 . . . . 72.13 111.681 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -75.59 -30.51 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 122.651 0.38 . . . . 74.24 110.528 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 70' ' ' ASP . 56.6 mtpt -60.1 -34.58 73.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.462 0.649 . . . . 74.55 110.0 170.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 25.8 ttmt -82.67 -37.19 25.19 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.065 1.346 . . . . 74.5 111.245 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 32.9 mm-40 -78.44 -52.16 8.97 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.048 0.539 . . . . 74.52 110.401 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -126.73 90.03 50.68 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.245 1.018 . . . . 74.13 109.146 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.13 6.98 5.48 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.58 2.187 . . . . 71.53 112.941 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.78 11.77 36.1 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.134 0.974 . . . . 74.04 112.474 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.452 HD22 HG21 ' A' ' 5' ' ' ILE . 1.4 pp -130.77 154.3 48.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.253 0.621 . . . . 72.21 110.959 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 35.4 mm-40 -80.11 140.01 36.62 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.198 -0.667 . . . . 72.23 109.198 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG11 HG22 ' A' ' 69' ' ' ILE . 13.9 t -127.18 116.02 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.722 -0.844 . . . . 73.24 108.722 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' HG23 ' A' ' 93' ' ' ILE . 25.0 tpp180 -115.18 125.1 53.01 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.92 -0.77 . . . . 75.42 108.92 175.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.7 122.51 34.32 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.812 -0.81 . . . . 72.23 108.812 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 56.1 t -96.96 88.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 107.769 -1.197 . . . . 75.03 107.769 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 p -78.55 -27.26 45.86 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.452 -0.795 . . . . 74.01 110.142 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.13 160.18 39.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 55.43 109.759 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.27 -39.14 66.61 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.401 1.08 . . . . 75.23 112.576 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 21.9 t70 -56.18 -38.22 70.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.045 0.938 . . . . 73.33 111.555 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -68.73 -33.23 73.57 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.251 0.62 . . . . 74.34 111.211 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -69.04 -22.64 64.03 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 63.12 111.774 173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -84.74 -27.7 26.77 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.603 0.761 . . . . 70.42 111.291 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.4 mm-40 -74.57 -37.96 62.81 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.815 0.446 . . . . 74.54 111.803 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 24.3 pt -60.31 -27.42 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.452 0.908 . . . . 73.24 113.452 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 HD11 HD23 ' A' ' 19' ' ' LEU . 92.3 mt -54.03 -39.83 66.52 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.733 0.413 . . . . 72.43 110.707 166.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' A' ' 98' ' ' LYS . 49.7 mm-40 -82.1 -26.0 33.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.423 0.689 . . . . 75.14 112.705 175.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -62.41 -40.28 96.01 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 122.855 0.462 . . . . 71.2 110.239 178.363 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 93' ' ' ILE . 9.1 mp -69.24 -39.37 78.54 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.545 -0.752 . . . . 73.55 111.966 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HG3' ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -79.94 -33.66 39.46 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 111.9 0.333 . . . . 75.02 111.9 -173.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.595 ' HG3' ' HG2' ' A' ' 100' ' ' LYS . 18.2 ptpt -72.6 -28.56 62.85 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.664 175.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.595 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 20.2 ptmt -163.81 117.09 1.47 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.606 0.763 . . . . 74.45 110.466 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.73 -63.55 3.81 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 110.298 -1.121 . . . . 64.23 110.298 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -158.54 -14.33 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.536 1.135 . . . . 73.35 111.092 168.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 mp -107.16 70.42 0.79 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.318 1.047 . . . . 73.13 108.603 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 148.16 46.31 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.735 -1.12 . . . . 72.21 111.286 175.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -91.71 16.7 10.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.576 0.75 . . . . 74.12 109.702 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -106.75 -10.82 15.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.654 0.782 . . . . 75.43 112.008 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -63.23 146.08 54.17 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.166 0.439 . . . . 71.22 110.199 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -69.02 135.26 50.59 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.275 0.63 . . . . 75.32 111.455 -165.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 68.43 10.49 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.871 0.868 . . . . 75.24 110.812 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 27.9 m80 . . . . . 0 C--O 1.248 1.02 0 C-N-CA 124.434 1.093 . . . . 75.15 108.397 174.809 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.447 0.165 . . . . 71.3 110.716 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.69 56.56 4.88 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 111.646 -0.582 . . . . 72.2 111.646 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 7.0 m -78.3 131.85 37.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.917 -0.772 . . . . 72.3 108.917 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 15.5 ttpp -164.35 132.16 3.37 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.397 0.679 . . . . 72.32 109.584 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.2 pt -121.72 149.54 24.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 123.931 0.892 . . . . 74.53 110.296 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.91 120.31 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.231 -1.026 . . . . 74.04 108.231 173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 69' ' ' ILE . 90.0 t -101.28 116.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.653 -0.869 . . . . 62.41 108.653 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.497 HD13 HD13 ' A' ' 23' ' ' ILE . 60.7 mt -109.6 129.39 64.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 123.821 0.848 . . . . 75.35 109.227 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 1.9 mp -87.46 89.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 106.466 -1.679 . . . . 74.42 106.466 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 t -83.19 104.07 13.09 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 114.478 -1.237 . . . . 74.12 109.387 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -97.64 -159.58 0.75 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.537 -1.21 . . . . 72.14 109.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.39 -24.09 67.19 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.657 0.783 . . . . 62.42 111.628 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.75 109.31 4.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.781 0.432 . . . . 71.13 109.847 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.9 m -78.39 -7.24 57.11 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.338 0.655 . . . . 72.11 112.246 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -55.13 -33.24 62.71 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.454 0.645 . . . . 73.03 111.221 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.11 -28.02 66.11 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.373 1.069 . . . . 75.04 110.92 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.68 -40.22 16.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.825 1.25 . . . . 73.35 111.315 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.22 -36.25 61.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.728 0.411 . . . . 72.42 110.84 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.606 HD22 HD13 ' A' ' 94' ' ' LEU . 87.8 mt -75.57 -23.66 56.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.789 0.436 . . . . 75.35 110.888 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.83 84.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.525 0.73 . . . . 73.35 110.759 172.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -67.76 -27.65 66.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.808 -1.087 . . . . 74.13 111.082 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.71 -42.1 61.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.028 0.531 . . . . 74.42 110.802 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD13 HD13 ' A' ' 8' ' ' ILE . 80.2 mt -64.71 -52.29 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.153 0.981 . . . . 74.44 111.845 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -56.23 -24.09 40.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 123.732 0.645 . . . . 62.2 112.468 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.34 -25.0 66.61 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 71.23 112.402 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.56 -14.17 62.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.063 0.545 . . . . 70.4 111.035 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.38 25.88 6.17 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 116.138 -0.483 . . . . 73.24 113.097 171.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' HZ1' ' A' ' 4' ' ' LYS . 2.4 pt? -123.65 151.89 42.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.089 0.555 . . . . 75.13 110.674 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -73.98 132.2 42.17 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.268 -0.878 . . . . 74.33 110.178 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.73 131.53 64.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 C-N-CA 123.465 0.706 . . . . 75.34 109.379 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' HB2' HG23 ' A' ' 7' ' ' VAL . 50.3 m-85 -103.09 132.26 49.48 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 124.069 0.948 . . . . 71.03 108.523 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.492 ' HB ' HG23 ' A' ' 56' ' ' VAL . 41.1 mm -114.07 109.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.389 -0.967 . . . . 74.43 108.389 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 HG13 ' A' ' 59' ' ' VAL . 19.2 mt -86.45 102.97 14.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.2 -0.667 . . . . 75.52 109.2 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -84.25 120.49 26.28 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.095 -1.076 . . . . 74.21 108.095 -177.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.544 ' HD2' HD12 ' A' ' 65' ' ' ILE . 14.2 ptmm? -138.98 117.63 12.2 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.193 -1.41 . . . . 74.4 107.193 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' H ' HD12 ' A' ' 42' ' ' LEU . 27.5 t70 -134.14 164.32 27.61 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.735 0.814 . . . . 75.53 109.371 -172.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -52.1 -55.88 17.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.236 1.414 . . . . 73.44 111.421 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -100.5 153.15 19.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.91 0.884 . . . . 73.25 109.482 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.58 -44.34 28.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.826 0.851 . . . . 75.12 110.483 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 7.9 mtpm? -67.42 -45.63 75.54 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.09 -0.505 . . . . 71.23 109.888 -177.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -53.53 -45.67 69.87 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.023 0.929 . . . . 73.15 111.229 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' HG ' HD12 ' A' ' 34' ' ' LEU . 7.5 tt -56.73 -58.12 9.48 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.491 1.119 . . . . 74.51 110.399 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.983 0.913 . . . . 74.13 112.443 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 55.5 mt-10 -73.68 -41.79 62.17 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.88 0.472 . . . . 74.13 110.138 175.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.72 -31.44 72.37 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.908 0.755 . . . . 74.1 110.368 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.53 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 mt -53.82 -55.7 12.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.954 0.784 . . . . 71.34 109.654 170.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.11 -34.87 79.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.376 0.671 . . . . 71.01 112.226 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.14 -36.82 69.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.6 . . . . 75.43 111.304 -176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HB2' HG21 ' A' ' 56' ' ' VAL . 88.0 mt -77.7 -34.98 52.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.465 0.306 . . . . 63.21 111.018 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 49.1 mtpt -62.95 -30.08 71.3 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.402 0.281 . . . . 74.21 111.398 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 t -58.97 -31.6 68.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.383 0.673 . . . . 71.44 111.568 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -91.03 13.22 17.37 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.447 0.699 . . . . 75.25 111.902 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.11 49.28 8.68 Favored Glycine 0 C--N 1.348 1.206 0 N-CA-C 113.333 0.093 . . . . 71.42 113.333 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.28 139.12 53.19 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.662 -0.866 . . . . 63.12 108.662 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -87.22 88.81 7.79 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.895 -1.15 . . . . 72.12 107.895 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 49' ' ' LEU . 17.0 t -89.51 125.27 42.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 113.993 -1.458 . . . . 74.31 109.311 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.36 149.74 50.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.107 0.963 . . . . 71.23 109.472 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE2' HD22 ' A' ' 42' ' ' LEU . 38.7 ttmt -87.99 134.99 33.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.289 1.035 . . . . 73.31 109.944 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG13 HD22 ' A' ' 33' ' ' LEU . 5.6 m -133.03 165.31 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.915 0.886 . . . . 73.32 108.846 170.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -85.54 -84.43 0.16 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.035 -0.984 . . . . 75.5 110.36 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.62 -177.5 4.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.699 0.8 . . . . 71.42 110.271 -174.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.98 -33.98 72.68 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.501 1.12 . . . . 64.13 112.634 -171.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -64.8 -38.55 91.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.331 0.652 . . . . 75.45 110.438 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.18 -38.78 75.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.199 0.6 . . . . 71.41 110.279 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.544 HD12 ' HD2' ' A' ' 35' ' ' LYS . 90.5 mt -63.78 -56.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.22 1.408 . . . . 73.14 112.408 -175.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.16 -34.63 76.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.23 0.538 . . . . 72.34 110.221 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -69.82 -35.75 75.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.792 -1.095 . . . . 74.53 110.457 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -65.78 -33.88 76.89 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.688 1.195 . . . . 75.02 111.429 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.661 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -74.9 -44.98 44.56 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 C-N-CA 123.269 0.628 . . . . 74.01 109.752 176.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.39 -45.01 89.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.712 -1.131 . . . . 70.25 111.56 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -36.21 80.51 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.434 0.693 . . . . 71.51 112.215 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.94 -41.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.667 0.387 . . . . 74.54 110.309 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -65.54 -20.39 66.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.523 0.514 . . . . 74.52 112.305 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -86.23 -43.49 12.93 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.943 0.497 . . . . 75.5 110.359 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.46 -35.87 80.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.833 0.853 . . . . 63.44 110.853 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -143.52 80.62 12.88 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.17 1.388 . . . . 72.1 108.738 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.65 -3.77 13.27 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.726 2.284 . . . . 74.52 113.639 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.61 -21.95 61.77 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.769 0.655 . . . . 75.24 112.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 3' ' ' SER . 1.3 pp -117.33 145.18 44.2 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.513 0.931 . . . . 74.33 113.513 -169.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -83.89 133.73 34.71 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.52 -1.218 . . . . 64.43 108.975 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.27 132.83 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.146 0.578 . . . . 73.52 109.496 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -126.57 129.21 48.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.855 0.862 . . . . 72.31 108.964 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.661 ' HG2' HG12 ' A' ' 69' ' ' ILE . 32.3 mtmm -85.15 138.74 32.19 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.16 0.584 . . . . 73.25 109.487 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 90' ' ' ALA . 86.6 t -119.79 90.32 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.316 -0.994 . . . . 71.24 108.316 169.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.475 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 p -88.35 -10.48 49.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.912 0.485 . . . . 73.43 111.356 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -142.75 149.39 38.67 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.783 0.833 . . . . 72.12 110.494 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.27 -45.71 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.6 1.56 . . . . 61.21 113.343 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.94 -33.36 66.93 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.783 0.833 . . . . 65.21 111.673 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.1 -40.65 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.319 0.648 . . . . 72.1 110.793 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.54 ' HB3' HG12 ' A' ' 84' ' ' VAL . . . -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.412 0.685 . . . . 71.32 111.289 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.37 -35.42 61.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.522 0.729 . . . . 75.41 111.041 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -47.77 43.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.07 0.548 . . . . 75.41 109.612 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.53 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 30.8 pt -61.8 -23.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.124 0.787 . . . . 72.52 113.124 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.606 HD13 HD22 ' A' ' 19' ' ' LEU . 88.7 mt -53.79 -38.73 64.8 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.827 0.285 . . . . 73.55 111.549 170.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -83.32 -32.99 26.0 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.629 1.172 . . . . 75.25 110.617 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.9 t70 -66.21 -45.28 81.28 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.415 -1.266 . . . . 72.51 111.899 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.9 -20.09 66.26 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.699 0.8 . . . . 75.11 111.815 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -74.0 -38.22 64.16 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.493 0.664 . . . . 74.14 110.196 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.12 -21.22 22.36 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 114.927 -1.033 . . . . 74.24 111.326 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? 56.35 80.37 0.15 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.827 1.251 . . . . 73.34 109.946 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.05 -144.28 31.99 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.078 -0.51 . . . . 72.13 112.733 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.2 p -163.25 -164.38 0.94 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.269 1.028 . . . . 73.35 108.318 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.19 62.32 6.69 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.469 -1.308 . . . . 65.01 107.469 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.53 94.81 1.01 Allowed 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 113.438 -1.71 . . . . 65.34 111.363 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -96.5 -14.83 22.04 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.036 0.534 . . . . 74.41 111.197 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -69.23 -36.88 77.67 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 120.7 0.286 . . . . 75.34 110.296 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -142.45 174.26 10.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 75.31 110.538 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -134.7 -178.19 4.96 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 124.853 1.261 . . . . 71.33 108.461 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -64.19 115.05 4.62 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.566 -0.901 . . . . 74.1 108.566 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 m80 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 123.954 0.902 . . . . 73.54 110.192 -173.649 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.0 ttpt . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 107.523 -1.288 . . . . 63.44 107.523 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' HB3' ' A' ' 29' ' ' GLU . 31.0 pt -130.43 148.26 33.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 108.698 -0.853 . . . . 72.14 108.698 169.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 93' ' ' ILE . 40.4 mm -112.19 141.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.373 -1.343 . . . . 71.41 107.373 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 69' ' ' ILE . 93.8 t -115.5 114.18 45.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.468 -1.308 . . . . 74.33 107.468 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.509 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 46.2 mt -109.07 126.22 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 N-CA-C 108.458 -0.942 . . . . 70.21 108.458 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -100.8 103.31 14.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.889 -1.523 . . . . 62.44 106.889 -173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -72.95 131.06 41.71 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.726 -0.842 . . . . 64.23 108.726 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -138.37 79.69 1.75 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.673 -0.862 . . . . 73.32 108.673 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 76.3 -62.39 0.42 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.045 1.738 . . . . 71.55 112.274 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.62 159.45 24.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.631 0.772 . . . . 71.52 111.36 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -100.27 -11.93 19.94 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.825 0.85 . . . . 63.21 113.177 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.496 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -58.56 -27.57 64.71 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.961 0.726 . . . . 72.02 112.961 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 16' ' ' LEU . 4.6 mp -66.9 -46.94 73.33 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.35 0.66 . . . . 74.25 110.226 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 49' ' ' LEU . 3.3 pm0 -86.16 -20.7 28.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.965 0.906 . . . . 74.45 112.863 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 11.6 pt-20 -73.86 -35.6 64.76 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.73 0.696 . . . . 75.32 109.342 172.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 94' ' ' LEU . 63.7 mt -63.46 -33.99 76.78 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.525 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -53.06 -32.67 48.25 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.03 0.932 . . . . 74.22 112.739 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -39.69 92.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.524 0.73 . . . . 72.44 110.853 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.8 -35.99 72.79 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.758 0.823 . . . . 45.43 110.485 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.552 HG12 HD12 ' A' ' 93' ' ' ILE . 1.8 mp -63.2 -55.15 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.574 0.75 . . . . 73.22 111.203 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.6 ptpt -66.87 -23.56 66.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 111.93 0.345 . . . . 72.51 111.93 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.24 -27.52 68.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.907 0.883 . . . . 44.35 111.104 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.19 -5.53 36.35 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.566 0.747 . . . . 73.25 112.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 27.1 6.92 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.969 0.348 . . . . 71.22 113.969 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -128.71 176.29 7.92 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.938 0.895 . . . . 72.33 109.948 172.445 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.613 ' HB3' HG22 ' A' ' 5' ' ' ILE . 9.2 tp10 -99.07 157.89 16.03 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.771 0.428 . . . . 74.04 111.537 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 24' ' ' LYS . 42.5 t -123.43 151.62 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.401 1.08 . . . . 64.3 109.718 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 95.0 m-85 -129.84 132.82 46.6 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.015 -1.476 . . . . 65.02 107.015 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 56' ' ' VAL . 20.5 mm -104.86 128.84 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.878 -0.786 . . . . 71.41 108.878 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 HD12 HG23 ' A' ' 65' ' ' ILE . 59.0 mt -103.88 108.44 19.76 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.387 -0.968 . . . . 72.35 108.387 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.09 130.02 34.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 109.32 -0.622 . . . . 70.21 109.32 -174.44 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -131.29 123.88 29.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.871 0.868 . . . . 74.33 108.742 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 25.1 t70 -135.64 161.95 34.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.251 1.02 . . . . 75.12 109.501 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.61 -37.28 84.54 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.827 0.851 . . . . 72.02 111.437 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -115.9 114.99 25.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.243 1.017 . . . . 73.12 109.283 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.83 -15.66 55.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.253 1.205 . . . . 75.32 114.253 -174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -45.43 16.16 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.283 -0.636 . . . . 75.4 109.283 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -71.67 -26.55 62.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.044 0.938 . . . . 72.21 110.276 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 60.5 tp -61.56 -50.63 71.88 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.909 1.284 . . . . 62.03 110.681 169.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.71 -39.15 93.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.097 -0.956 . . . . 72.13 112.131 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 12.0 pt-20 -67.3 -39.92 85.99 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.88 -0.415 . . . . 70.54 109.88 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 34' ' ' LEU . 8.3 tppt? -58.3 -41.66 84.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.184 0.994 . . . . 73.34 111.097 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' A' ' 56' ' ' VAL . 92.4 mt -52.34 -50.52 37.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 O-C-N 124.654 1.221 . . . . 72.11 109.527 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.22 -31.48 70.09 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.9 0.88 . . . . 75.03 111.83 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.9 mmmt -66.07 -45.17 82.24 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.28 0.562 . . . . 64.45 110.132 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 17' ' ' GLU . 97.1 mt -75.75 -34.74 60.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.959 -1.019 . . . . 74.11 111.055 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.7 mtpt -67.73 -31.59 71.62 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.989 0.359 . . . . 74.43 110.542 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 t -61.01 -43.22 99.21 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.454 0.701 . . . . 72.42 110.588 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -70.1 -22.29 63.05 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.097 0.559 . . . . 62.4 111.748 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.86 30.21 3.3 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 122.867 0.27 . . . . 74.31 113.313 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -112.94 114.51 27.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.921 . . . . 74.42 108.777 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.49 97.01 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.105 -0.702 . . . . 53.32 109.105 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 46' ' ' ILE . 25.3 t -95.46 135.1 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.046 -0.979 . . . . 74.53 109.802 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.92 145.6 44.55 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 107.372 -1.344 . . . . 71.22 107.372 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -94.01 125.21 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.631 -1.248 . . . . 70.33 107.631 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 33' ' ' LEU . 14.9 m -121.05 177.04 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.785 0.834 . . . . 72.42 109.621 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -83.79 -78.69 0.22 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.181 -0.674 . . . . 61.23 109.181 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.71 -163.5 1.73 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.6 -0.889 . . . . 73.41 108.6 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 36.7 t70 -67.1 -25.84 66.41 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.506 0.722 . . . . 71.41 112.853 -164.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.01 -51.57 67.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.696 0.799 . . . . 74.34 110.642 171.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.92 -28.81 55.42 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.03 -0.986 . . . . 64.5 111.161 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 9' ' ' ILE . 95.9 mt -62.15 -46.74 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.866 0.866 . . . . 62.41 110.23 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.4 -42.01 90.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.617 0.767 . . . . 74.31 111.778 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -70.17 -34.52 73.09 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.468 -0.787 . . . . 64.44 110.701 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 72' ' ' ILE . 57.2 t90 -66.02 -43.71 86.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.894 0.878 . . . . 74.51 109.957 -177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 mp -66.08 -43.96 92.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.27 0.628 . . . . 75.13 109.877 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.35 -37.21 69.71 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.852 0.861 . . . . 74.21 111.163 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -46.97 79.09 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.879 1.272 . . . . 74.52 111.15 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 68' ' ' TRP . 37.7 mm -65.81 -35.91 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.302 0.641 . . . . 63.41 111.127 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 69' ' ' ILE . 54.4 mtpt -64.0 -35.8 81.91 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.883 0.873 . . . . 74.05 111.039 176.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -77.2 -35.43 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.096 -0.956 . . . . 63.14 110.356 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -72.2 -41.76 66.57 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.614 0.765 . . . . 54.11 110.5 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -124.98 83.8 59.73 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 124.273 1.029 . . . . 72.51 109.148 -170.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -86.93 28.6 0.53 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.201 2.6 . . . . 74.24 112.43 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.1 -15.71 14.8 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 73.13 111.356 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -138.7 155.59 48.12 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.459 0.703 . . . . 64.03 112.321 -163.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 46.3 mt-10 -74.48 137.93 42.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.58 -0.896 . . . . 73.42 108.58 166.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 t -116.46 103.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 106.949 -1.501 . . . . 72.24 106.949 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.8 tpp85 -97.65 137.81 36.0 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.767 0.827 . . . . 73.44 109.646 -169.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -97.97 125.06 42.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.89 0.476 . . . . 73.12 110.435 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 93' ' ' ILE . 58.6 t -123.76 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.682 1.193 . . . . 72.11 109.282 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 43.9 p -88.54 -27.33 21.48 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.946 -0.471 . . . . 70.14 111.404 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -113.8 155.0 26.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.852 0.861 . . . . 74.21 110.557 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.01 -34.21 74.47 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.534 1.134 . . . . 70.03 111.486 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.78 -41.42 64.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.971 0.909 . . . . 74.53 111.196 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' HB2' HG13 ' A' ' 84' ' ' VAL . 62.0 mt-30 -74.18 -30.33 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.446 -1.252 . . . . 73.13 110.644 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.621 0.768 . . . . 54.45 111.528 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 94' ' ' LEU . 99.1 mttt -86.33 -22.69 26.57 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.579 0.751 . . . . 73.14 112.421 171.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -47.41 54.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.043 0.537 . . . . 73.04 109.844 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.738 HD13 HG21 ' A' ' 84' ' ' VAL . 11.8 pt -60.46 -27.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 112.756 0.65 . . . . 60.41 112.756 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.635 HD11 HD22 ' A' ' 19' ' ' LEU . 97.3 mt -52.99 -49.1 66.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.542 0.337 . . . . 73.41 110.421 169.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -74.53 -26.78 60.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.579 0.752 . . . . 74.13 111.931 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.04 -42.43 94.32 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.284 1.034 . . . . 65.02 110.498 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.474 HD13 HD21 ' A' ' 28' ' ' LEU . 54.3 mt -79.62 -26.89 41.05 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 113.892 -1.504 . . . . 65.52 111.652 -176.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.272 0.558 . . . . 74.42 109.602 174.442 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 110.162 -0.31 . . . . 63.53 110.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.42 HG12 HD13 ' A' ' 79' ' ' LEU . 48.2 pt -122.36 151.36 26.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 108.027 -1.101 . . . . 64.12 108.027 166.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG21 HD12 ' A' ' 93' ' ' ILE . 50.2 mm -116.32 123.71 71.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.18 -1.044 . . . . 73.25 108.18 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 59.9 t -101.09 113.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.118 -1.067 . . . . 74.41 108.118 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.643 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 58.5 mt -108.8 123.59 64.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 N-CA-C 108.797 -0.816 . . . . 72.44 108.797 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.8 mp -98.51 95.21 4.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.982 -1.488 . . . . 71.45 106.982 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.534 ' HB2' HD22 ' A' ' 34' ' ' LEU . 41.2 m -88.19 105.01 17.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.879 -0.6 . . . . 54.51 109.583 -170.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -111.61 99.94 8.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.796 0.838 . . . . 75.41 109.359 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 73.75 -61.07 0.51 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.591 1.556 . . . . 61.32 112.663 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.51 117.35 4.78 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 74.42 111.609 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 t -72.01 -14.28 61.84 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.075 0.95 . . . . 73.23 111.665 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 m -54.26 -37.45 64.7 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.065 0.946 . . . . 73.04 111.886 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.05 -28.53 65.53 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.803 0.441 . . . . 43.22 110.855 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 49' ' ' LEU . 41.0 mt-10 -78.8 -40.43 33.03 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.869 0.868 . . . . 72.14 111.073 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.22 -34.7 55.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.762 0.425 . . . . 73.24 111.237 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -64.09 -39.06 93.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.384 0.673 . . . . 64.11 109.855 174.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -52.29 -38.01 57.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.479 1.112 . . . . 70.04 113.022 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -61.36 -41.17 96.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.619 0.768 . . . . 75.14 110.682 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -73.83 -30.51 62.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.415 0.686 . . . . 74.24 112.009 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 97' ' ' LEU . 1.9 mp -63.52 -54.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 123.211 0.319 . . . . 72.32 110.43 171.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.2 ptpt -67.39 -20.33 65.53 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.328 0.492 . . . . 73.33 112.328 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.71 -20.0 65.38 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.424 1.089 . . . . 72.14 111.797 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -75.84 -16.65 60.04 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.11 0.564 . . . . 74.55 112.2 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.55 20.09 2.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 114.623 0.609 . . . . 43.02 114.623 171.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.6 pt? -126.98 173.56 9.55 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.949 0.9 . . . . 72.4 110.044 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -92.61 150.41 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.685 0.394 . . . . 74.44 110.526 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 73.1 t -118.8 130.56 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.917 0.887 . . . . 75.12 109.593 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HB2' HG22 ' A' ' 7' ' ' VAL . 2.1 m-85 -104.38 144.39 31.71 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.725 -1.583 . . . . 53.13 106.725 171.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -119.75 136.53 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.445 -0.946 . . . . 62.11 108.445 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HB2' HG13 ' A' ' 9' ' ' ILE . 53.6 mt -107.71 103.07 12.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.833 -1.173 . . . . 43.21 107.833 165.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -84.69 128.93 34.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 106.906 -1.516 . . . . 73.31 106.906 -175.064 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -125.94 120.07 29.42 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.299 -0.63 . . . . 64.34 109.299 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 23.7 t70 -135.56 150.08 49.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.64 1.176 . . . . 63.21 108.066 175.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -75.3 -9.41 58.53 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.897 0.479 . . . . 63.11 112.291 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.47 108.94 14.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.821 -1.177 . . . . 62.53 107.821 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.0 pt-20 -62.81 -14.15 41.94 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.111 1.152 . . . . 75.42 114.111 -173.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -84.47 -47.89 10.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.727 0.411 . . . . 74.21 110.273 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.5 -35.91 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.719 0.807 . . . . 73.11 109.809 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 45.3 tp -56.17 -56.42 21.09 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.352 1.461 . . . . 54.04 110.866 170.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 46' ' ' ILE . 4.0 tp10 -60.56 -35.38 75.91 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.151 0.907 . . . . 74.25 110.692 -172.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 64.9 mm-40 -68.64 -46.93 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.462 0.705 . . . . 73.02 110.937 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -57.26 -39.95 76.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.193 0.997 . . . . 64.12 110.307 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.504 HG23 ' HB ' ' A' ' 56' ' ' VAL . 97.2 mt -56.96 -54.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 113.737 -1.574 . . . . 75.53 110.328 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.3 mm-40 -61.21 -34.11 74.57 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.819 0.699 . . . . 71.43 110.974 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 28.1 mmtp -70.0 -44.84 68.53 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.385 0.428 . . . . 74.44 110.777 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.8 mt -67.23 -33.25 74.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.524 0.515 . . . . 54.12 111.569 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 38.4 mtpt -70.8 -32.96 70.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.084 0.402 . . . . 71.13 110.773 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.9 t -69.01 -25.43 64.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.566 0.746 . . . . 72.0 110.717 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -81.79 -14.29 56.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.725 0.81 . . . . 75.13 111.329 171.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.07 2.35 33.89 Favored Glycine 0 N--CA 1.475 1.236 0 N-CA-C 114.297 0.479 . . . . 75.11 114.297 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -79.6 133.25 36.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 117.329 0.565 . . . . 71.15 109.706 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -81.94 89.09 6.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.617 0.723 . . . . 61.42 109.236 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -94.52 147.25 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 115.528 -0.76 . . . . 61.55 110.53 -174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.49 148.79 52.34 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 123.967 0.907 . . . . 74.03 108.646 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -88.24 111.36 21.58 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.439 1.096 . . . . 72.2 108.181 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.53 155.45 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 N-CA-C 108.844 -0.799 . . . . 73.34 108.844 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.48 -46.17 9.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.143 0.577 . . . . 71.14 111.507 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.89 167.31 20.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.781 0.432 . . . . 41.02 110.875 -167.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 7.8 p-10 -69.84 -19.21 63.46 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.767 0.827 . . . . 74.44 112.437 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.61 -47.68 77.7 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.519 -0.549 . . . . 71.42 109.519 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.29 -38.54 91.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.503 0.721 . . . . 74.54 110.141 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 82.7 mt -62.43 -42.97 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.733 1.213 . . . . 54.4 112.09 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.18 -43.93 83.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.804 0.442 . . . . 72.23 110.876 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -29.24 61.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.922 -1.036 . . . . 73.2 110.556 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . 38.1 t90 -67.0 -46.13 75.47 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.052 0.941 . . . . 73.54 109.405 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -74.32 -32.95 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.625 -0.509 . . . . 71.23 109.625 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 36.8 t70 -56.63 -43.43 80.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.675 0.79 . . . . 70.54 110.851 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.1 ptpt -76.69 -36.83 57.0 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.652 -0.69 . . . . 75.53 111.082 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -60.11 -38.72 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-N 118.761 0.709 . . . . 60.13 110.99 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 70' ' ' ASP . 10.0 mtmp? -67.22 -34.25 77.08 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.539 0.735 . . . . 64.41 111.065 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -82.1 -36.95 27.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 73.34 110.31 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.57 -36.64 37.89 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.806 1.242 . . . . 54.5 109.831 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -122.35 85.94 47.8 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.338 1.055 . . . . 74.15 109.198 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 -16.6 29.22 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.786 2.324 . . . . 75.23 112.327 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -82.01 -7.01 59.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.005 0.922 . . . . 74.44 112.987 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.9 pp -138.31 125.97 22.19 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.849 0.46 . . . . 64.11 111.108 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.97 129.48 40.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.474 0.709 . . . . 74.0 109.13 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 t -112.34 126.92 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.407 0.683 . . . . 73.23 109.251 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -115.62 138.28 51.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.911 0.884 . . . . 74.1 109.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' HG12 ' A' ' 69' ' ' ILE . 30.5 mtmm -96.17 126.09 41.14 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.427 -0.583 . . . . 53.12 109.427 172.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.772 HG21 HD13 ' A' ' 93' ' ' ILE . 71.3 t -117.17 92.13 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.421 1.088 . . . . 75.45 109.534 175.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 p -86.75 -25.05 24.89 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 122.266 -0.271 . . . . 71.21 110.858 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.81 160.08 20.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.888 0.875 . . . . 64.32 111.979 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -66.0 -40.72 91.39 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.594 1.158 . . . . 71.05 111.165 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.36 -28.94 70.04 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.419 0.287 . . . . 71.12 110.949 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -72.17 -33.16 67.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.282 0.633 . . . . 75.11 110.981 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.33 63.56 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.134 0.574 . . . . 64.03 112.128 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -86.8 -25.97 24.33 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.61 0.596 . . . . 74.13 112.61 167.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -49.43 66.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.829 -0.804 . . . . 63.13 108.829 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.772 HD13 HG21 ' A' ' 84' ' ' VAL . 14.7 pt -54.6 -31.75 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 113.377 0.88 . . . . 70.25 113.377 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.473 HD11 HD22 ' A' ' 19' ' ' LEU . 85.7 mt -50.64 -50.09 55.32 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.176 0.444 . . . . 72.02 111.186 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 -27.59 33.97 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 110.585 -0.154 . . . . 71.11 110.585 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.642 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 28.4 t70 -70.03 -29.63 66.73 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.408 0.683 . . . . 74.03 111.241 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 23' ' ' ILE . 6.9 mp -66.18 -28.33 68.68 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.712 0.805 . . . . 71.01 110.623 172.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 114.999 -1.0 . . . . 73.32 109.779 -176.843 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 23.3 ttmm . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 108.375 -0.972 . . . . 71.13 108.375 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.8 pt -119.67 142.65 34.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 N-CA-C 108.123 -1.066 . . . . 72.12 108.123 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.59 HG13 HG21 ' A' ' 23' ' ' ILE . 45.9 mm -117.68 130.76 72.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.704 -0.85 . . . . 75.1 108.704 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.98 104.54 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.875 -1.157 . . . . 74.21 107.875 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.05 125.74 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.822 0.849 . . . . 73.34 109.355 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.56 98.7 7.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.797 -1.557 . . . . 71.13 106.797 -175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.9 t -95.19 105.1 17.01 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 108.913 -0.773 . . . . 72.13 108.913 -177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -91.27 72.73 6.2 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.971 -1.013 . . . . 75.13 109.735 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.56 35.84 22.7 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-N 115.138 -0.937 . . . . 51.53 111.397 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB3' HD13 ' A' ' 16' ' ' LEU . 12.7 t70 -127.37 144.64 51.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.358 -0.839 . . . . 74.12 111.133 -177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -88.42 -34.48 17.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.099 0.96 . . . . 75.1 112.583 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m -52.92 -43.59 66.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.404 0.682 . . . . 75.23 112.296 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' ' 13' ' ' ASP . 5.8 mp -64.86 -28.99 69.93 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.176 0.59 . . . . 75.3 111.422 -176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.1 -39.39 49.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.165 0.986 . . . . 64.1 109.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.62 -46.87 87.95 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 115.0 -1.0 . . . . 74.33 109.816 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 15' ' ' THR . 63.9 mt -64.04 -44.37 92.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.54 1.136 . . . . 70.13 110.646 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.74 55.38 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.528 1.131 . . . . 72.31 112.863 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HD2' ' A' ' 24' ' ' LYS . 10.9 tpt180 -62.53 -31.59 72.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.228 1.011 . . . . 72.32 111.856 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.76 -39.48 57.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.555 0.742 . . . . 61.51 110.412 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.59 HG21 HG13 ' A' ' 6' ' ' ILE . 3.1 mp -68.26 -46.71 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.899 0.48 . . . . 72.22 110.874 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD2' ' HD2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -68.37 -21.87 64.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.302 0.482 . . . . 74.13 112.302 -177.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.04 -13.11 61.94 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.947 0.779 . . . . 45.14 111.772 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HG3' HD23 ' A' ' 97' ' ' LEU . 44.3 mm-40 -74.13 -4.04 33.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.631 0.772 . . . . 73.25 111.446 172.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 37.49 14.08 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.592 -1.003 . . . . 71.34 110.592 -170.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.635 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 16.8 mt -107.36 144.38 34.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.424 0.689 . . . . 72.44 109.298 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.68 108.31 17.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.689 0.796 . . . . 72.23 108.891 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.8 t -102.13 131.0 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.472 0.709 . . . . 65.4 109.727 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.39 133.55 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.831 1.253 . . . . 74.22 107.743 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.5 mm -114.49 119.12 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.469 -0.938 . . . . 73.11 108.469 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 59' ' ' VAL . 24.3 mt -92.84 98.63 11.51 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.024 -1.102 . . . . 64.11 108.024 173.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -90.05 129.65 36.33 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.717 -1.216 . . . . 70.13 107.717 -174.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -127.48 124.66 38.86 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.824 -0.806 . . . . 74.11 108.824 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 29.9 t70 -133.35 161.75 33.67 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.361 1.064 . . . . 61.34 108.159 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.89 -24.51 63.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.8 0.84 . . . . 74.24 111.226 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -125.69 115.77 20.62 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.097 0.959 . . . . 75.32 109.934 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 46.3 mt-10 -56.75 -22.91 39.0 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.473 1.286 . . . . 75.21 114.473 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 7.5 tmtt? -72.48 -57.74 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.26 -1.015 . . . . 74.52 108.26 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.25 -38.05 82.27 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.507 0.723 . . . . 70.32 110.889 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 31.5 tp -53.9 -48.97 69.6 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.253 1.421 . . . . 70.51 111.527 174.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.1 tt0 -74.3 -24.89 59.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.762 -0.653 . . . . 74.41 110.93 -174.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 49.2 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.236 -0.653 . . . . 74.32 109.236 173.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -60.48 -40.79 92.55 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.784 -1.098 . . . . 62.32 111.039 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG23 ' HB ' ' A' ' 56' ' ' VAL . 69.4 mt -53.01 -49.74 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.386 1.074 . . . . 74.33 110.239 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.8 mm100 -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.054 0.541 . . . . 73.45 111.964 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.68 -42.11 92.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.699 0.799 . . . . 74.41 111.406 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' A' ' 56' ' ' VAL . 72.6 mt -73.59 -35.56 65.44 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.449 -0.796 . . . . 64.34 111.649 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.05 -23.7 65.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.831 0.453 . . . . 74.41 111.935 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -61.86 -29.07 69.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.056 0.543 . . . . 73.32 111.262 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -94.81 18.41 11.81 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.804 0.841 . . . . 73.55 111.158 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.77 73.39 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 119.265 -0.742 . . . . 62.15 114.796 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -67.15 127.92 34.43 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 117.695 0.748 . . . . 72.45 109.696 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.33 91.1 7.25 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.257 -1.016 . . . . 72.52 108.257 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.7 t -93.65 139.41 18.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.12 -0.945 . . . . 74.32 110.193 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.03 146.95 50.17 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.809 0.843 . . . . 74.43 109.249 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' HG3' HD21 ' A' ' 42' ' ' LEU . 39.9 ttmt -87.14 120.9 28.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.703 -1.221 . . . . 75.02 107.703 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 33' ' ' LEU . 10.4 m -119.96 149.54 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.926 0.89 . . . . 64.41 109.625 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.42 -58.75 3.09 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.765 0.666 . . . . 64.4 110.916 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -165.88 -167.36 1.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.556 -0.905 . . . . 65.32 108.556 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 1.4 m-20 -64.0 -24.9 67.89 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 123.93 0.892 . . . . 70.02 112.053 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.22 -56.71 16.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.301 1.041 . . . . 73.12 109.819 169.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.01 -30.08 64.86 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.678 -1.146 . . . . 70.11 110.799 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 69.7 mt -68.78 -53.67 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.77 1.228 . . . . 74.3 111.449 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.12 -35.51 73.58 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.994 0.518 . . . . 71.12 110.806 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.2 -24.63 54.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.109 -0.951 . . . . 72.25 110.901 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 23.6 t90 -72.24 -40.37 67.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.056 0.542 . . . . 74.22 110.274 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' HB2' ' A' ' 83' ' ' LYS . 2.0 mp -68.99 -36.63 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.927 -0.768 . . . . 73.14 108.927 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.86 -50.14 74.33 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.725 0.81 . . . . 54.44 111.341 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 17.4 ptpt -65.99 -34.02 77.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.237 0.336 . . . . 73.12 110.685 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.6 mm -69.06 -40.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.931 0.892 . . . . 71.25 111.866 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -67.83 -27.08 66.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.979 0.419 . . . . 65.54 110.171 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -82.68 -22.84 34.42 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.163 0.985 . . . . 74.23 110.74 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 20.8 mm-40 -78.28 -49.61 13.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.1 -0.704 . . . . 70.11 109.1 171.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HD2' HD21 ' A' ' 79' ' ' LEU . 39.0 mtt180 -134.39 96.58 15.32 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.058 0.943 . . . . 72.04 108.938 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -88.36 12.2 2.88 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.954 2.436 . . . . 70.44 112.235 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -104.47 7.76 35.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.196 0.998 . . . . 73.43 111.576 -172.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.526 HD21 ' HD2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -134.67 163.99 28.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.202 0.601 . . . . 72.31 112.111 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 6.9 mm-40 -72.99 130.4 40.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.76 -1.109 . . . . 74.21 109.096 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -125.57 107.09 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.064 -1.087 . . . . 75.23 108.064 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HG2' HG21 ' A' ' 93' ' ' ILE . 23.1 tpp180 -109.37 105.82 15.35 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.247 -0.649 . . . . 63.45 109.247 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' HB2' HG12 ' A' ' 69' ' ' ILE . 40.5 ttpt -72.63 120.25 17.98 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.542 -0.91 . . . . 72.02 108.542 169.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 72.8 t -116.49 92.39 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.509 1.124 . . . . 45.02 108.646 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -70.97 -43.89 67.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.602 0.761 . . . . 70.34 111.406 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.27 152.12 33.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 73.35 110.378 -174.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.46 -34.14 68.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.793 1.237 . . . . 73.14 113.084 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.04 -37.16 68.86 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.502 1.121 . . . . 73.23 110.717 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' HB2' HG13 ' A' ' 84' ' ' VAL . 85.3 mt-30 -73.92 -33.91 64.16 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.561 -1.2 . . . . 70.34 110.366 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -70.5 -26.07 63.43 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.149 0.5 . . . . 55.15 111.487 175.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -79.07 -33.13 44.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.768 0.827 . . . . 61.31 111.193 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -78.32 -36.89 45.83 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.251 0.621 . . . . 74.33 110.884 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' HD13 ' A' ' 97' ' ' LEU . 21.6 pt -65.06 -25.73 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 113.366 0.876 . . . . 62.12 113.366 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.15 -37.5 2.08 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.334 0.588 . . . . 75.44 111.258 168.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.46 -41.08 14.7 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.653 1.181 . . . . 75.41 111.846 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.9 t70 -50.19 -37.85 37.1 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.3 1.04 . . . . 61.12 112.946 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.71 HD23 ' HG3' ' A' ' 26' ' ' GLU . 6.1 mp -62.99 -30.28 71.47 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 125.206 1.402 . . . . 75.11 111.024 175.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.591 1.156 . . . . 72.41 112.095 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HD3' ' HB2' ' A' ' 80' ' ' GLU . 11.8 tppt? . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 108.705 -0.85 . . . . 71.35 108.705 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.66 145.91 34.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 107.163 -1.421 . . . . 74.1 107.163 159.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.3 mm -114.42 138.26 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 108.334 -0.987 . . . . 61.14 108.334 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' A' ' 69' ' ' ILE . 40.2 t -116.67 111.89 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.275 -1.009 . . . . 74.53 108.275 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt -109.29 126.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 123.174 0.59 . . . . 54.41 109.947 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -94.7 91.91 3.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 N-CA-C 106.359 -1.719 . . . . 74.32 106.359 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -81.06 102.06 9.98 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.914 -1.143 . . . . 54.32 107.914 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -107.61 83.95 1.88 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.239 -0.891 . . . . 74.51 109.936 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 78.69 -53.08 0.47 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.179 1.392 . . . . 74.12 112.149 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.08 149.09 43.42 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 71.12 111.329 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -101.14 -14.45 17.75 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.046 0.758 . . . . 65.33 113.046 -169.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -24.88 67.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.68 0.392 . . . . 51.34 111.603 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.89 -31.72 72.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.99 0.516 . . . . 74.0 110.103 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.98 -32.19 30.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.709 1.203 . . . . 74.11 110.161 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.26 -49.24 72.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.654 1.182 . . . . 73.03 109.851 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.57 -36.39 78.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.999 -1.0 . . . . 54.12 110.535 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -54.37 -36.94 64.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.389 1.076 . . . . 70.23 112.811 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -73.97 -32.48 63.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.384 0.674 . . . . 73.42 110.76 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -73.96 -31.53 63.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.421 0.688 . . . . 54.32 110.816 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' ALA . 93.9 mt -66.24 -60.13 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.815 0.846 . . . . 73.04 110.519 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HB3' HG23 ' A' ' 30' ' ' VAL . 11.0 ptpt -63.41 -17.78 63.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.421 0.897 . . . . 71.21 113.421 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.17 -20.6 42.27 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.178 0.991 . . . . 72.34 112.802 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.97 -2.71 28.39 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.44 0.696 . . . . 63.04 112.082 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.25 35.19 5.09 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 123.023 0.344 . . . . 64.32 112.836 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.45 164.52 20.96 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.58 0.752 . . . . 73.54 109.883 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -90.58 146.4 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.742 0.417 . . . . 72.22 110.524 173.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 24' ' ' LYS . 74.0 t -122.07 128.1 75.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 123.69 0.796 . . . . 65.22 108.999 170.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.03 113.6 27.25 Favored 'General case' 0 C--N 1.337 0.054 0 N-CA-C 107.623 -1.251 . . . . 71.35 107.623 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.7 mm -89.33 117.6 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.793 -0.817 . . . . 71.21 108.793 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 59' ' ' VAL . 25.8 mt -87.83 105.58 17.51 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.221 -1.029 . . . . 73.23 108.221 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 121.11 32.86 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.059 -1.089 . . . . 71.44 108.059 -177.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.4 ptmm? -126.9 118.71 25.1 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.733 -1.21 . . . . 75.35 107.733 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 14.0 t70 -134.23 167.63 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.052 -0.976 . . . . 71.32 108.793 -174.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -70.35 -35.49 73.6 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.865 0.466 . . . . 51.04 110.773 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -117.99 179.2 4.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.466 0.706 . . . . 72.31 112.759 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.56 -58.97 2.04 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.96 0.904 . . . . 54.41 111.344 -174.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 22.7 ttmm -73.5 -30.13 62.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.866 0.467 . . . . 53.31 111.675 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.37 -44.42 87.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.982 -0.747 . . . . 74.41 108.982 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 5.4 tt -61.71 -44.58 96.65 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.495 1.118 . . . . 75.12 112.896 168.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 7.3 tt0 -50.46 -53.06 32.56 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.344 1.458 . . . . 60.25 112.327 -174.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.63 -34.66 67.48 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 115.777 -0.647 . . . . 75.43 110.348 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -46.41 85.2 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.011 0.924 . . . . 74.53 111.328 174.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.57 HG23 ' HB ' ' A' ' 56' ' ' VAL . 13.8 mt -50.5 -48.81 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.154 0.908 . . . . 73.3 110.203 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -74.57 -31.08 61.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.295 -0.866 . . . . 73.12 112.177 -173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.62 -36.24 82.12 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.174 0.511 . . . . 71.43 110.792 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HB2' HG21 ' A' ' 56' ' ' VAL . 95.2 mt -77.42 -43.03 33.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.356 -0.838 . . . . 32.31 111.39 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -66.62 -24.72 66.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 111.77 0.285 . . . . 73.25 111.77 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -59.95 -30.88 69.38 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.756 0.823 . . . . 60.52 111.712 169.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.458 HE21 ' HA ' ' A' ' 49' ' ' LEU . 43.1 mt-30 -86.08 5.34 34.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.824 0.85 . . . . 72.25 111.275 176.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.13 2.73 56.89 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 119.521 -0.599 . . . . 75.11 114.105 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -77.32 167.02 22.41 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 117.629 0.714 . . . . 64.21 111.825 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -117.44 110.52 18.11 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.776 -1.194 . . . . 73.35 107.776 165.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 49' ' ' LEU . 24.3 t -111.62 127.27 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.351 0.66 . . . . 63.01 109.545 -173.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 25.8 mmm180 -120.22 144.87 47.5 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.003 0.921 . . . . 74.4 109.825 -173.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HE3' HD13 ' A' ' 42' ' ' LEU . 2.7 tmtp? -83.36 123.12 29.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.379 -0.971 . . . . 64.32 108.379 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 33' ' ' LEU . 18.7 m -122.54 157.23 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.204 0.602 . . . . 42.42 109.916 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -79.03 -73.51 0.33 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.703 -0.681 . . . . 64.2 109.681 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -154.81 -163.89 1.68 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 108.397 -0.964 . . . . 65.44 108.397 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.892 0.877 . . . . 75.41 112.186 -169.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -55.77 -51.87 65.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.891 0.877 . . . . 74.14 110.627 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.77 -31.1 63.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.96 0.904 . . . . 43.32 110.608 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 85.4 mt -65.0 -55.4 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.223 1.009 . . . . 53.04 111.284 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.91 -35.83 81.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.624 0.37 . . . . 63.21 111.075 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -71.43 -32.58 68.54 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.821 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.437 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.7 t90 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.399 0.679 . . . . 75.32 109.665 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.697 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -75.23 -33.4 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 122.994 0.517 . . . . 73.12 109.936 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 21.3 t70 -62.67 -37.55 86.86 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.211 -0.904 . . . . 73.23 111.354 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.76 -37.69 67.59 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.697 -0.668 . . . . 53.34 111.073 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -63.51 -39.47 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-N 118.411 0.551 . . . . 51.21 111.275 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 53.6 mtmt -62.82 -37.06 85.24 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.77 -0.65 . . . . 74.4 110.676 176.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -76.73 -44.85 31.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 71.33 110.975 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.66 -47.02 79.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.97 0.908 . . . . 65.31 110.137 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -125.03 90.13 51.52 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 114.866 -1.061 . . . . 74.34 110.09 -170.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.56 -7.85 17.94 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 73.11 112.978 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -82.11 -8.9 59.67 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.786 0.661 . . . . 72.31 112.786 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.64 160.36 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.063 0.545 . . . . 60.13 111.779 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 60.9 mm-40 -93.18 139.25 30.8 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.096 0.958 . . . . 74.13 108.516 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -120.7 119.34 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.57 -0.53 . . . . 72.43 109.57 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.9 tpp180 -111.92 133.95 53.79 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.646 0.779 . . . . 72.33 109.904 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.697 ' HG2' HG12 ' A' ' 69' ' ' ILE . 24.0 mtmm -94.0 113.24 25.19 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.717 -0.846 . . . . 72.55 108.717 170.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 90' ' ' ALA . 87.8 t -110.7 91.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.984 -0.747 . . . . 63.21 108.984 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.415 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 44.9 p -87.63 -21.85 25.07 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.787 0.327 . . . . 74.12 110.751 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.4 147.87 38.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.842 0.857 . . . . 71.14 110.831 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -51.91 -42.02 62.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.289 1.036 . . . . 72.43 110.818 167.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.38 -40.22 74.25 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.349 1.06 . . . . 62.3 112.081 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.12 -35.25 76.2 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.094 -0.503 . . . . 74.15 111.122 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.65 -31.25 71.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.181 0.592 . . . . 73.42 111.497 174.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -74.91 -33.77 62.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.698 0.799 . . . . 74.04 110.743 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -75.06 -41.63 58.59 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.785 -0.643 . . . . 71.52 110.853 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.54 HG21 ' HG2' ' A' ' 82' ' ' ARG . 19.9 pt -69.64 -22.54 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.343 0.868 . . . . 55.43 113.343 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -51.96 -27.97 15.05 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.506 0.323 . . . . 71.33 111.016 166.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -84.95 -53.13 5.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.927 0.891 . . . . 64.42 111.065 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.503 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.2 t70 -44.9 -43.98 9.31 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 125.107 1.363 . . . . 65.04 113.9 -175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.13 -39.69 87.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.086 0.954 . . . . 62.02 111.497 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp . . . . . 0 N--CA 1.481 1.113 0 CA-C-N 115.136 -0.938 . . . . 71.23 110.165 -176.253 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HD3' ' HG3' ' A' ' 80' ' ' GLU . 18.4 ttpt . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 108.555 -0.906 . . . . 55.55 108.555 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 79' ' ' LEU . 24.2 pt -115.39 152.27 17.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.843 0 N-CA-C 108.945 -0.761 . . . . 64.21 108.945 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm -114.05 143.37 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.613 -0.721 . . . . 74.24 109.564 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 69' ' ' ILE . 72.8 t -119.21 115.15 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 107.795 -1.187 . . . . 53.21 107.795 171.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.611 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 49.2 mt -105.4 124.16 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.657 -0.498 . . . . 74.14 109.657 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -95.71 98.46 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 105.642 -1.984 . . . . 70.5 105.642 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -114.35 132.28 56.25 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.577 0.704 . . . . 74.42 111.038 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.535 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 79.3 p -132.73 123.7 26.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.208 -1.36 . . . . 71.33 109.801 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.78 -69.79 0.16 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.984 1.313 . . . . 73.14 113.462 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.02 138.66 46.1 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.73 1.212 . . . . 51.33 112.247 -171.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -74.57 -26.81 60.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.1 0.96 . . . . 74.1 113.198 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 m -56.12 -40.36 73.64 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.304 0.502 . . . . 63.21 112.354 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.2 -32.53 66.86 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.266 0.555 . . . . 72.21 110.144 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 49' ' ' LEU . 48.1 mt-10 -67.56 -49.43 63.24 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.824 1.25 . . . . 72.43 111.061 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.14 -25.77 52.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.243 0.617 . . . . 73.31 112.206 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.6 -33.45 72.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.924 0.489 . . . . 75.11 110.495 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.57 -32.37 50.57 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.002 0.921 . . . . 74.44 112.299 176.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -69.96 -30.83 68.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.57 0.748 . . . . 64.45 111.224 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -69.97 -45.27 67.72 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 122.953 0.501 . . . . 50.1 110.137 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.59 -52.08 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.251 0.62 . . . . 72.33 111.518 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 14.3 ptmm? -56.83 -21.68 30.83 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.7 0.8 . . . . 62.25 112.607 -172.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.17 -29.7 61.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.567 1.147 . . . . 74.35 111.743 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.84 -18.99 65.0 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.585 0.754 . . . . 54.52 112.101 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.83 41.8 1.78 Allowed Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.618 0.628 . . . . 74.4 112.651 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -126.87 151.75 47.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.587 0.355 . . . . 70.32 110.933 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.27 122.42 21.95 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 124.255 0.972 . . . . 71.33 108.546 167.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.06 129.1 53.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.391 -0.966 . . . . 73.4 108.391 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG22 ' A' ' 7' ' ' VAL . 57.8 m-85 -104.2 132.9 49.97 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.383 -1.34 . . . . 73.33 107.383 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 56' ' ' VAL . 28.3 mm -114.69 120.47 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.421 -0.955 . . . . 72.41 108.421 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 59' ' ' VAL . 34.3 mt -95.71 101.98 13.73 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.013 -1.106 . . . . 63.45 108.013 170.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.88 140.97 28.96 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 107.897 -1.149 . . . . 72.01 107.897 -175.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 11' ' ' SER . 17.4 ptpt -141.09 120.98 13.55 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.77 -0.826 . . . . 75.5 108.77 173.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -129.4 155.39 45.76 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.656 -0.868 . . . . 43.15 108.656 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -54.27 -37.19 64.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 60.04 110.685 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.73 130.61 56.43 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 108.759 -0.83 . . . . 71.12 108.759 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG3' HD23 ' A' ' 42' ' ' LEU . 21.4 tt0 -61.7 -13.71 25.3 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.126 1.158 . . . . 73.34 114.126 -177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.04 -59.87 2.52 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.993 0.36 . . . . 63.33 111.193 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -68.75 -24.74 64.49 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.276 0.63 . . . . 72.32 110.535 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.525 HD23 ' HG3' ' A' ' 39' ' ' GLU . 30.5 tp -54.79 -58.34 7.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.665 -1.152 . . . . 73.0 110.782 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 37.5 tt0 -69.9 -28.26 65.47 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.466 0.479 . . . . 75.4 111.279 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -60.83 -49.76 76.17 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.393 0.615 . . . . 70.04 109.512 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.89 92.9 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.088 -1.415 . . . . 75.0 110.45 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' HA ' HG11 ' A' ' 56' ' ' VAL . 84.0 mt -57.83 -50.76 76.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.661 -1.154 . . . . 74.22 110.925 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.4 mm-40 -66.89 -37.53 84.56 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.13 0.269 . . . . 65.0 111.307 -176.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -65.24 -34.61 78.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.346 0.658 . . . . 74.24 112.183 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.1 mt -81.16 -32.86 33.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.822 0.449 . . . . 62.14 111.137 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -69.44 -28.08 65.81 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 122.159 -0.338 . . . . 74.31 110.411 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.4 t -63.62 -31.22 72.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.865 0.866 . . . . 74.31 111.035 170.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.6 mt-30 -88.9 14.44 10.41 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.64 0.776 . . . . 75.53 111.488 175.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.55 51.0 13.12 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 123.404 0.44 . . . . 40.23 113.26 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 51.1 m-85 -127.35 142.34 51.47 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.818 0.847 . . . . 74.31 109.109 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.59 83.17 8.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.993 -0.743 . . . . 65.42 108.993 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.0 t -92.49 136.77 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 114.818 -1.083 . . . . 42.21 110.039 -174.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 19.1 mmt180 -138.57 152.34 48.1 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.371 1.068 . . . . 74.44 110.804 -172.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' HD21 ' A' ' 42' ' ' LEU . 40.1 ttmt -94.83 128.19 41.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.14 -1.391 . . . . 71.51 109.122 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 33' ' ' LEU . 6.9 m -116.79 150.99 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 121.447 0.642 . . . . 75.14 110.795 178.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -77.27 -46.74 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.667 -1.151 . . . . 72.25 110.648 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -172.02 -174.96 1.38 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.748 0.819 . . . . 73.2 109.519 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.51 -35.58 80.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.025 0.75 . . . . 60.11 113.025 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -58.82 -44.31 90.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.698 0.624 . . . . 74.13 109.405 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.06 -33.58 75.83 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.207 -0.906 . . . . 72.41 111.292 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.5 -50.55 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.888 0.875 . . . . 64.23 111.324 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.13 -37.42 80.02 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.818 0.281 . . . . 75.35 111.607 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.25 -31.19 68.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.477 0.711 . . . . 71.51 111.008 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.493 ' O ' HG12 ' A' ' 72' ' ' ILE . 25.9 t90 -68.77 -49.22 60.46 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 75.42 110.274 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.664 HD11 HG11 ' A' ' 7' ' ' VAL . 2.1 mp -72.63 -31.4 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.912 0.485 . . . . 61.42 110.477 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.94 -47.12 52.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.485 1.114 . . . . 63.1 111.59 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -78.18 -30.79 49.24 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.415 -0.811 . . . . 72.11 111.728 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.9 mm -62.18 -42.52 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.177 0.591 . . . . 71.12 110.728 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -67.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.131 -0.941 . . . . 72.14 111.104 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -78.19 -43.22 29.17 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.77 0.828 . . . . 72.02 110.577 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.27 -40.85 94.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.105 0.962 . . . . 62.14 110.434 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.424 ' HD3' HD21 ' A' ' 79' ' ' LEU . 52.1 mtt180 -123.97 82.78 55.68 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.87 0.868 . . . . 54.1 109.634 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.57 -14.71 11.4 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.936 2.424 . . . . 74.53 113.714 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.86 -5.6 56.68 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.684 0.394 . . . . 75.42 111.934 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD13 HG12 ' A' ' 5' ' ' ILE . 3.5 pp -123.53 150.81 43.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.808 -0.812 . . . . 53.44 108.808 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' HD3' ' A' ' 4' ' ' LYS . 9.4 pt-20 -99.25 155.88 17.27 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.986 0.515 . . . . 75.14 111.363 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.99 136.82 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 71.44 109.779 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -127.43 119.14 25.47 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.328 0.651 . . . . 71.23 109.945 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.5 mtmt -75.37 135.98 40.81 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.127 0.571 . . . . 74.13 110.625 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 57.1 t -120.92 95.98 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 124.165 0.986 . . . . 42.42 110.989 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.5 p -81.47 -30.95 33.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.136 0.574 . . . . 73.21 111.425 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 18.6 m-20 -116.15 157.41 24.84 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.382 0.673 . . . . 65.23 111.703 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.56 -45.75 57.26 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.289 1.036 . . . . 71.21 111.088 167.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.52 -20.83 61.99 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.512 -0.767 . . . . 74.32 112.129 -176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.9 mm100 -70.72 -40.92 72.5 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.315 -0.624 . . . . 70.11 109.315 169.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -68.84 -27.11 65.54 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.413 0.685 . . . . 72.32 112.14 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -78.47 -33.79 48.08 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.618 0.767 . . . . 73.42 110.303 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.29 -47.39 57.13 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.467 0.307 . . . . 74.3 110.243 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 27.4 pt -59.72 -31.85 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.025 0.75 . . . . 74.5 113.025 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.89 -43.32 49.34 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.016 0.526 . . . . 72.42 110.632 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.18 -32.41 26.61 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.96 1.304 . . . . 44.44 110.49 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 38.8 t70 -73.56 -27.88 61.56 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.654 0.782 . . . . 74.43 111.596 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.2 mp -72.75 -18.02 61.54 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 120.914 0.388 . . . . 75.34 110.372 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 123.733 0.813 . . . . 72.15 110.388 178.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? . . . . . 0 C--O 1.236 0.385 0 N-CA-C 108.761 -0.829 . . . . 64.25 108.761 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 81' ' ' VAL . 43.7 pt -128.2 157.45 40.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 N-CA-C 108.377 -0.972 . . . . 71.5 108.377 166.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -123.59 138.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.967 -0.753 . . . . 71.35 108.967 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 31' ' ' TYR . 72.6 t -117.27 113.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 107.186 -1.413 . . . . 70.01 107.186 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.483 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.3 mt -106.79 130.43 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 109.189 -0.671 . . . . 75.4 109.189 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -93.29 86.36 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 107.051 -1.463 . . . . 75.32 107.051 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -88.35 105.88 17.87 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.788 -0.642 . . . . 73.14 109.448 -173.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -133.42 121.38 22.18 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.325 -0.852 . . . . 74.13 109.224 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.98 -68.2 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.78 1.232 . . . . 71.24 112.394 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.73 154.54 38.35 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.312 1.045 . . . . 51.11 111.946 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -106.0 -16.63 14.57 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.262 1.025 . . . . 64.2 112.708 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -54.07 -35.76 62.41 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.25 0.477 . . . . 73.44 111.704 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.19 -39.92 96.02 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.7 0.8 . . . . 75.24 111.171 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.42 -43.54 85.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.033 1.333 . . . . 73.31 111.178 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.41 -42.46 78.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.05 -0.977 . . . . 63.11 111.528 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.91 -40.27 94.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.353 0.661 . . . . 73.45 110.403 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.03 -32.41 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.322 1.049 . . . . 44.23 112.619 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 tpt85 -64.79 -28.53 69.63 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 115.155 -0.929 . . . . 75.4 111.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 9.9 mptt -84.65 -32.8 23.45 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.635 0.774 . . . . 63.12 110.158 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 1.8 mp -64.78 -42.83 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.008 0.523 . . . . 75.32 110.432 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -68.04 -25.46 65.38 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.891 0.377 . . . . 73.54 110.763 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.78 -9.99 59.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.947 . . . . 64.04 111.333 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 52.8 mm-40 -74.45 -15.32 60.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.0 0.52 . . . . 75.45 111.302 172.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.38 37.79 4.45 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.075 -0.81 . . . . 33.33 111.075 -173.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.693 HD11 HD21 ' A' ' 97' ' ' LEU . 10.4 mt -114.58 147.3 39.69 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.375 -0.602 . . . . 72.14 109.375 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -87.86 111.94 21.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.129 -1.063 . . . . 75.35 108.129 168.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.09 131.66 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.818 -0.438 . . . . 74.15 109.818 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.658 ' HB2' HG22 ' A' ' 7' ' ' VAL . 40.6 m-85 -108.41 144.1 36.44 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 106.972 -1.492 . . . . 74.41 106.972 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG21 HD13 ' A' ' 49' ' ' LEU . 25.9 mm -123.93 125.46 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.448 -0.945 . . . . 65.33 108.448 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 HD12 HG23 ' A' ' 65' ' ' ILE . 38.9 mt -101.89 120.05 39.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.582 0.706 . . . . 72.15 111.106 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.51 HD11 ' HG2' ' A' ' 45' ' ' LYS . 1.4 mm? -105.15 122.94 46.95 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.484 -1.234 . . . . 63.14 111.163 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HE2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.58 120.26 8.6 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.987 -1.116 . . . . 74.13 107.987 157.427 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -132.61 171.79 13.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.88 1.272 . . . . 61.24 109.558 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -46.18 -47.89 17.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.429 1.491 . . . . 74.23 112.224 175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.21 119.3 28.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.381 -0.827 . . . . 72.11 110.104 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.7 -15.03 62.2 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.525 0.935 . . . . 75.02 113.525 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.58 -49.63 15.87 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.98 0.419 . . . . 74.01 110.083 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -63.52 -29.92 71.12 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.537 -0.756 . . . . 64.51 110.265 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HG ' HD12 ' A' ' 34' ' ' LEU . 5.4 tt -61.39 -44.85 96.43 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.221 -1.354 . . . . 75.41 110.707 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.2 -35.8 81.52 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.418 0.449 . . . . 74.13 110.603 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.66 -41.67 78.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.77 -0.65 . . . . 75.24 109.964 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -59.76 -38.81 82.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.086 0.954 . . . . 74.14 110.97 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.507 HG23 ' HB ' ' A' ' 56' ' ' VAL . 54.1 mt -55.12 -51.26 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 124.089 0.868 . . . . 51.15 109.101 173.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -64.17 -36.43 84.03 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.944 0.498 . . . . 71.42 111.856 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.2 0.6 . . . . 73.13 110.907 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.616 ' HB2' HG21 ' A' ' 56' ' ' VAL . 90.0 mt -73.41 -36.48 66.01 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.206 -0.906 . . . . 73.41 111.428 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 37.1 mtpt -70.47 -28.26 64.86 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.208 -0.307 . . . . 63.14 110.798 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 t -65.03 -32.5 74.26 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.63 -0.713 . . . . 74.51 111.583 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -77.6 -20.56 53.77 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.913 0.485 . . . . 54.02 111.14 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.93 37.03 1.59 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 123.418 0.449 . . . . 35.01 113.272 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.09 149.46 32.09 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.07 0.548 . . . . 65.24 110.402 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.58 87.45 5.94 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.48 -0.933 . . . . 62.12 108.48 173.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 49' ' ' LEU . 20.2 t -93.89 133.05 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 114.94 -1.027 . . . . 71.01 110.071 -172.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -134.58 147.08 50.17 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.963 0.905 . . . . 73.35 110.21 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -88.99 130.39 35.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.299 1.039 . . . . 74.22 109.746 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.43 169.12 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 124.538 1.135 . . . . 53.25 109.585 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -94.23 -61.71 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.514 0.326 . . . . 75.24 111.623 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -137.28 -175.34 4.02 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.521 0.729 . . . . 63.42 110.494 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 65' ' ' ILE . 6.5 p-10 -66.44 -37.53 85.38 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.89 0.876 . . . . 72.02 111.817 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.27 -36.78 76.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.974 0.416 . . . . 75.31 111.455 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.08 -38.98 79.32 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.27 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.563 HG23 HD12 ' A' ' 33' ' ' LEU . 96.2 mt -60.57 -49.91 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 71.24 110.568 174.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.94 -50.11 71.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.443 1.097 . . . . 72.14 111.485 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.86 -21.32 60.14 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.221 -0.9 . . . . 74.22 111.803 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -68.76 -36.45 78.36 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.734 0.413 . . . . 71.14 110.333 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.65 -36.6 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 122.987 0.515 . . . . 71.42 109.756 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.63 -44.68 93.19 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.419 -0.809 . . . . 63.43 111.562 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 20.8 ptmt -71.11 -25.54 62.64 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.586 -0.245 . . . . 73.05 110.984 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.49 -35.61 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.002 0.521 . . . . 65.42 110.279 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -65.48 -24.19 67.09 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.859 0.464 . . . . 74.12 111.205 174.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -82.87 -41.38 19.05 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.843 0.457 . . . . 61.32 110.687 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.2 mm-40 -66.05 -50.03 65.61 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.308 0.575 . . . . 73.35 111.164 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 87.86 36.28 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 114.858 -1.065 . . . . 73.35 108.439 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.25 -37.02 33.36 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.436 . . . . 74.34 113.696 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.53 -9.85 57.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.708 1.003 . . . . 64.42 113.708 -168.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.59 149.17 30.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.507 0.323 . . . . 51.0 110.289 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -102.06 137.76 39.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.699 0.4 . . . . 64.51 110.834 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 HD11 ' A' ' 5' ' ' ILE . 2.8 t -113.06 126.31 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.436 0.694 . . . . 74.23 109.669 -169.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -110.04 141.45 42.85 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.507 0.723 . . . . 74.21 110.497 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -98.68 114.72 27.34 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.209 -1.034 . . . . 74.45 108.209 169.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 89' ' ' GLN . 78.7 t -115.35 90.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.465 -0.939 . . . . 60.11 108.465 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.689 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 81.4 p -82.24 -21.49 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.558 -0.746 . . . . 73.13 111.943 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.06 160.23 39.56 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.579 0.752 . . . . 64.25 111.133 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -35.02 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 113.868 -1.515 . . . . 73.33 113.12 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.17 -34.81 79.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.41 0.684 . . . . 71.05 111.485 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 52.7 mt-30 -69.1 -36.75 77.89 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.431 0.457 . . . . 72.41 110.598 173.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.77 72.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.085 0.554 . . . . 61.11 111.665 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.96 -39.97 65.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.263 0.625 . . . . 73.01 110.09 175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -64.11 -47.32 80.47 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.588 -0.733 . . . . 73.13 110.913 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 pt -64.24 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.597 0.591 . . . . 63.4 112.597 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.47 -37.0 62.25 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.714 0.406 . . . . 55.45 111.353 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -84.89 -50.72 7.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.328 0.651 . . . . 72.41 110.978 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t70 -42.03 -44.67 3.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.674 1.59 . . . . 53.23 113.78 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 28' ' ' LEU . 11.1 mp -68.91 -23.61 64.2 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.62 0.768 . . . . 71.02 111.927 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 123.635 0.774 . . . . 74.53 109.594 177.768 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HE3' HD13 ' A' ' 28' ' ' LEU . 38.4 ttpt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 108.917 -0.771 . . . . 63.43 108.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 29' ' ' GLU . 30.5 pt -125.87 147.86 30.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.371 0.605 . . . . 72.14 109.91 174.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.592 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.5 mm -117.72 120.42 64.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.633 -0.877 . . . . 65.34 108.633 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 31' ' ' TYR . 40.2 t -105.16 114.93 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.454 -0.943 . . . . 75.53 108.454 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 23.9 mt -104.24 130.83 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.485 -0.561 . . . . 64.11 109.485 -174.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.66 86.05 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 105.553 -2.017 . . . . 72.04 105.553 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.1 t -77.68 104.73 8.39 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.452 -0.573 . . . . 75.43 109.452 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 p -80.86 -153.9 0.1 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.485 1.114 . . . . 64.34 111.266 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.79 -29.65 68.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.43 1.092 . . . . 75.13 112.671 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.98 150.41 25.66 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.373 0.606 . . . . 64.44 112.059 -171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -90.21 -14.18 33.99 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.439 -1.255 . . . . 74.12 111.234 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.3 m -53.81 -35.41 61.38 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 123.378 0.671 . . . . 71.14 111.732 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.6 -30.21 64.17 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.379 0.272 . . . . 64.22 110.366 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.55 -46.61 58.99 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.303 1.041 . . . . 65.44 111.016 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.96 -39.92 79.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.617 0.367 . . . . 71.25 111.169 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 23' ' ' ILE . 79.1 mt -68.02 -36.02 79.27 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.418 -0.355 . . . . 72.22 110.492 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -52.0 -45.44 64.54 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 70.4 112.914 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -69.57 -33.58 72.93 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.156 -0.929 . . . . 72.45 110.984 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 22' ' ' LYS . 14.0 tptp -80.71 -23.28 39.63 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.609 -0.723 . . . . 73.54 110.959 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.582 HD13 HD11 ' A' ' 93' ' ' ILE . 75.4 mt -65.98 -56.68 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 122.848 0.459 . . . . 63.34 110.245 172.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.9 ptpt -63.19 -20.32 65.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.717 0.636 . . . . 64.43 112.717 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.37 -25.79 60.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.435 1.094 . . . . 75.45 112.059 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.43 -6.76 42.75 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.938 0.895 . . . . 74.3 112.725 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.34 33.59 4.49 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 123.084 0.373 . . . . 41.02 113.271 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD13 ' HE3' ' A' ' 4' ' ' LYS . 1.6 pt? -128.91 176.52 7.8 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.123 0.969 . . . . 63.42 109.154 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 5' ' ' ILE . 16.9 tp10 -98.33 150.8 21.19 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.678 0.391 . . . . 75.05 110.487 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 6' ' ' ILE . 54.5 t -126.24 127.14 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.849 0.86 . . . . 74.34 109.672 174.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' VAL . 1.4 m-85 -102.28 151.88 21.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.052 -1.462 . . . . 74.12 107.052 172.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 56' ' ' VAL . 26.8 mm -125.81 127.73 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.929 -0.767 . . . . 71.35 108.929 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 HG23 ' A' ' 65' ' ' ILE . 36.8 mt -98.76 108.16 20.78 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.147 -0.686 . . . . 63.23 109.147 166.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -88.14 127.79 35.43 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.446 -1.252 . . . . 63.15 109.485 -175.402 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -126.16 120.33 29.82 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.793 -0.818 . . . . 61.53 108.793 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 12.4 t70 -133.14 147.52 52.09 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.658 -1.608 . . . . 54.02 106.658 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.22 -16.0 63.8 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.666 0.604 . . . . 71.32 111.752 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -119.58 108.8 14.93 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 107.41 -1.33 . . . . 61.31 107.41 171.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -12.83 19.56 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.814 1.042 . . . . 72.34 113.814 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -78.94 -49.42 12.82 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.361 -0.607 . . . . 63.01 109.361 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.95 -32.27 73.67 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.273 -0.876 . . . . 74.11 109.797 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 6.6 tt -54.71 -52.45 62.42 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.98 1.312 . . . . 73.15 109.44 170.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.37 -25.68 63.37 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.242 -0.89 . . . . 62.5 112.279 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.3 mt-10 -66.2 -48.88 69.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.482 -0.562 . . . . 75.11 109.482 170.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.98 -32.5 72.96 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.295 0.997 . . . . 74.31 111.384 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 56' ' ' VAL . 56.2 mt -55.92 -53.71 35.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 123.461 0.704 . . . . 74.3 109.605 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.27 -34.57 78.43 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.645 -0.707 . . . . 75.44 111.98 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 11.4 mmpt? -64.67 -46.0 84.31 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.389 0.614 . . . . 74.3 110.635 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 56' ' ' VAL . 98.9 mt -72.59 -38.63 67.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.896 -1.047 . . . . 65.23 111.249 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.0 mtpt -66.81 -27.55 67.66 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.003 -0.435 . . . . 75.31 111.768 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 m -58.62 -34.76 71.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.838 0.455 . . . . 75.01 111.974 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.07 -12.69 60.01 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.277 0.631 . . . . 73.42 111.381 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.79 55.7 1.06 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 112.081 -0.408 . . . . 72.41 112.081 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.04 161.42 24.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.777 0.831 . . . . 73.12 109.479 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -102.31 96.12 6.74 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.37 -0.974 . . . . 72.33 108.37 167.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 49' ' ' LEU . 15.3 t -102.91 139.48 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.532 0.733 . . . . 71.01 109.441 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -135.36 146.5 48.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.778 0.831 . . . . 71.5 110.046 -173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -91.58 131.53 36.93 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.013 0.925 . . . . 72.52 109.427 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.68 152.31 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.151 0.981 . . . . 75.35 109.034 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -24.69 38.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.574 0.35 . . . . 73.35 111.481 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -167.49 165.8 14.56 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.022 0.529 . . . . 75.34 111.321 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 24.4 t70 -66.44 -35.45 80.33 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.53 1.132 . . . . 74.2 111.91 177.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.69 -39.15 73.31 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.861 -0.609 . . . . 64.23 110.903 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.47 -35.65 75.81 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.342 -0.845 . . . . 75.3 110.403 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 33' ' ' LEU . 32.7 mt -54.13 -50.14 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 124.266 0.979 . . . . 71.41 111.733 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.19 -39.34 92.39 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.246 0.218 . . . . 71.11 111.277 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -33.67 74.29 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 123.561 0.538 . . . . 61.31 110.605 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -64.44 -40.17 95.24 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.79 1.236 . . . . 72.11 109.882 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.599 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -40.13 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.516 0.727 . . . . 71.21 110.072 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 18.3 t70 -57.62 -43.87 85.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.107 0.963 . . . . 75.23 111.223 -173.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 8.2 ptpp? -68.56 -42.38 78.43 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.233 -0.894 . . . . 63.24 111.459 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.67 -33.81 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 123.122 0.569 . . . . 72.25 111.359 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 58.5 mtmt -60.52 -33.54 72.79 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.536 0.334 . . . . 71.33 110.881 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.85 -45.92 16.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.112 0.965 . . . . 51.41 110.364 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 37.3 mm-40 -56.71 -55.37 35.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.248 1.019 . . . . 62.42 110.062 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -121.53 81.18 39.31 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 114.588 -1.187 . . . . 64.12 107.895 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.53 -5.85 17.47 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.682 2.255 . . . . 71.1 112.194 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.81 -20.42 63.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.235 1.014 . . . . 63.53 111.936 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -126.3 150.71 48.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.622 0.769 . . . . 60.44 111.364 -174.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.477 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 25.5 mm-40 -84.55 149.78 25.67 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.822 -0.807 . . . . 62.52 108.822 172.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.26 106.32 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 108.046 -1.094 . . . . 33.1 108.046 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -103.8 134.56 46.89 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.364 0.666 . . . . 75.23 109.573 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HG2' HG12 ' A' ' 69' ' ' ILE . 27.2 mtmm -94.09 111.09 22.77 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.41 -0.589 . . . . 75.11 109.41 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 90' ' ' ALA . 59.0 t -98.29 91.21 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.326 -0.99 . . . . 73.52 108.326 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.6 p -84.68 -16.95 40.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.842 -1.072 . . . . 73.12 111.42 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.45 152.22 51.66 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.108 0.963 . . . . 74.24 109.351 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -30.16 59.99 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.174 0.59 . . . . 73.41 110.959 169.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.92 -42.42 93.91 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.163 1.385 . . . . 63.15 111.424 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HB2' HG13 ' A' ' 84' ' ' VAL . 20.5 mm-40 -60.91 -40.94 95.03 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.972 0.795 . . . . 62.34 110.711 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.27 -39.21 89.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.456 0.702 . . . . 72.31 111.956 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -70.1 -34.26 72.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.631 0.772 . . . . 64.11 110.595 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.78 -50.99 37.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.576 -0.738 . . . . 64.02 110.076 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 23' ' ' ILE . 24.6 pt -64.45 -28.65 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.017 0.376 . . . . 72.41 112.017 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 33.3 mt -54.62 -54.55 40.06 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.927 0.331 . . . . 74.33 111.202 171.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.37 -27.26 60.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.282 0.364 . . . . 72.11 110.991 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 19.4 t70 -64.76 -45.23 87.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.956 0.902 . . . . 74.25 110.757 -176.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.1 mp -67.18 -21.78 65.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.944 -0.571 . . . . 70.52 110.944 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.3 mmmt . . . . . 0 N--CA 1.483 1.217 0 C-N-CA 122.828 0.451 . . . . 64.14 110.415 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.2 ttpp . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 108.201 -1.037 . . . . 72.42 108.201 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG22 ' A' ' 81' ' ' VAL . 40.6 pt -119.27 149.3 21.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-O 121.636 0.732 . . . . 75.42 110.385 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -119.92 111.61 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 108.246 -1.02 . . . . 62.43 108.246 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 69' ' ' ILE . 71.2 t -87.64 118.53 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.832 0.853 . . . . 52.14 109.407 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 56.1 mt -111.72 126.86 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.261 0.624 . . . . 73.23 109.393 -177.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -96.95 93.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 105.823 -1.917 . . . . 65.11 105.823 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.525 ' HB2' HD22 ' A' ' 34' ' ' LEU . 42.5 m -101.43 121.97 42.9 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.568 -0.901 . . . . 71.12 108.568 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 p -138.69 113.53 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.904 -1.044 . . . . 74.15 109.326 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 75.49 -61.22 0.48 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.633 1.573 . . . . 74.15 112.508 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.26 136.98 52.69 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.98 0.912 . . . . 75.12 111.355 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -90.49 -21.34 21.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.539 0.736 . . . . 51.13 112.4 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.5 m -56.94 -36.1 69.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.743 0.417 . . . . 75.54 111.728 -175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.76 -30.81 71.12 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.011 0.524 . . . . 63.41 110.902 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.27 -36.34 66.33 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.581 1.152 . . . . 70.01 110.329 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.17 -36.47 64.07 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.617 -0.72 . . . . 65.1 110.652 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 94' ' ' LEU . 93.9 mt -74.11 -27.31 60.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.577 0.751 . . . . 62.24 110.062 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.82 76.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.116 0.967 . . . . 73.43 111.521 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -62.29 -43.19 99.39 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.011 -0.995 . . . . 71.35 111.0 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 11.4 mmpt? -63.28 -35.17 79.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.85 0.46 . . . . 72.33 111.255 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.614 HG22 HD11 ' A' ' 28' ' ' LEU . 80.2 mt -73.88 -32.75 35.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.893 0.877 . . . . 72.55 111.923 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HE3' ' CE1' ' A' ' 54' ' ' PHE . 16.5 ptpt -75.42 -22.16 57.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.447 -0.783 . . . . 71.32 110.604 174.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.67 -10.27 59.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.314 0.645 . . . . 71.41 111.599 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -77.49 -1.93 32.92 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.335 0.654 . . . . 72.44 110.911 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 29.4 29.69 Favored Glycine 0 C--N 1.353 1.476 0 C-N-CA 122.944 0.307 . . . . 52.34 112.777 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -128.57 166.94 17.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.807 0.443 . . . . 74.23 111.547 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.06 130.36 34.52 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.947 0.899 . . . . 60.1 109.963 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -109.09 131.25 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.758 0.823 . . . . 73.51 110.06 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HB2' HG22 ' A' ' 7' ' ' VAL . 4.5 m-30 -104.93 140.71 37.76 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 107.409 -1.33 . . . . 55.2 107.409 174.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.7 mm -123.61 120.91 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 108.605 -0.887 . . . . 71.14 108.605 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 65' ' ' ILE . 33.1 mt -102.58 106.6 17.31 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.314 -0.995 . . . . 52.14 108.314 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.2 OUTLIER -97.54 132.99 42.71 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -139.07 129.58 25.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.164 0.586 . . . . 75.45 109.944 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 36.3 t70 -133.28 168.95 17.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.432 1.093 . . . . 53.34 109.906 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -55.38 -37.1 67.12 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.783 1.233 . . . . 61.41 112.192 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 40' ' ' LYS . 14.0 t70 -133.58 129.92 37.67 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.99 0.516 . . . . 74.42 110.492 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -62.72 -28.87 70.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.881 1.808 . . . . 72.33 115.881 -173.411 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' OD1' ' A' ' 38' ' ' ASP . 5.4 ptpp? -81.68 -34.8 30.49 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.751 1.159 . . . . 73.44 109.984 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -65.8 -38.31 88.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.921 0.889 . . . . 74.25 110.373 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 13.5 tp -55.84 -45.03 78.52 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.662 1.585 . . . . 72.45 111.997 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.39 -18.3 63.04 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.68 0.612 . . . . 73.15 111.724 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -68.32 -51.81 40.5 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.373 -0.602 . . . . 70.54 109.373 173.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.92 -42.14 88.96 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.555 -1.202 . . . . 74.41 110.899 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.473 ' HA ' HG11 ' A' ' 56' ' ' VAL . 67.2 mt -55.63 -50.48 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.297 1.039 . . . . 63.35 111.277 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -70.07 -28.78 65.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.747 0.419 . . . . 74.5 112.003 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.3 -38.0 84.29 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.815 0.446 . . . . 74.33 111.433 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' ' 56' ' ' VAL . 92.1 mt -80.58 -31.38 36.82 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.869 -0.605 . . . . 74.02 111.452 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -65.69 -35.06 79.68 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.068 0.547 . . . . 54.41 111.047 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -29.86 70.26 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.692 0.797 . . . . 75.21 111.388 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -85.71 3.33 41.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.828 0.851 . . . . 73.21 111.902 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.32 41.23 9.38 Favored Glycine 0 C--N 1.346 1.102 0 C-N-CA 122.74 0.21 . . . . 53.14 113.46 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 24' ' ' LYS . 96.3 m-85 -114.54 141.79 47.26 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.46 0.704 . . . . 55.51 109.654 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.39 81.91 4.7 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 108.937 -0.764 . . . . 74.44 108.937 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 49' ' ' LEU . 4.4 t -100.43 135.62 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.132 0.573 . . . . 73.4 110.307 -171.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 68' ' ' TRP . 3.5 mmp_? -133.66 161.22 35.24 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.561 0.744 . . . . 71.33 112.099 -167.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.55 117.1 29.6 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 113.967 -1.47 . . . . 75.25 107.949 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.62 162.96 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.38 0.672 . . . . 70.54 109.767 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -86.62 -65.91 0.96 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.238 0.615 . . . . 72.05 109.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.71 -170.16 3.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.29 -1.323 . . . . 62.43 108.157 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 35.5 t70 -70.07 -18.36 63.27 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.367 0.667 . . . . 74.14 111.961 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.76 -45.93 48.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.82 0.448 . . . . 74.43 110.219 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.72 -34.7 78.93 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.422 0.63 . . . . 70.0 110.556 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 87.3 mt -66.74 -37.56 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 114.037 -1.438 . . . . 51.14 110.147 175.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.79 -46.86 87.89 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.699 0.8 . . . . 63.35 111.398 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.53 -32.11 72.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.991 0.516 . . . . 75.43 110.224 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 57' ' ' ARG . 8.1 t90 -67.94 -42.89 80.29 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.396 -0.82 . . . . 72.42 110.774 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -75.95 -32.87 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.923 0.489 . . . . 63.12 110.175 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.97 -53.75 53.09 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.693 0.797 . . . . 64.24 111.246 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.69 -37.69 85.08 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.554 0.534 . . . . 72.24 111.497 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.56 -45.32 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.69 0.796 . . . . 71.4 110.607 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HE3' HG23 ' A' ' 81' ' ' VAL . 5.7 mmpt? -65.08 -34.15 77.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.031 0.532 . . . . 72.2 112.133 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -76.28 -42.28 46.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.517 0.727 . . . . 75.12 111.521 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -80.48 -46.62 15.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.869 0.867 . . . . 73.22 111.22 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -124.28 92.26 48.41 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.541 0.737 . . . . 72.5 109.857 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.83 -168.15 0.59 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.707 2.271 . . . . 53.43 110.503 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 73.06 -24.1 0.2 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.28 1.432 . . . . 75.33 113.051 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -105.64 131.44 53.01 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.125 -1.065 . . . . 73.41 108.125 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -85.59 144.62 27.78 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.074 -0.343 . . . . 63.54 110.074 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 HD11 ' A' ' 5' ' ' ILE . 42.6 t -117.17 124.88 73.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 124.108 0.963 . . . . 71.25 108.988 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -120.85 112.52 18.91 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.985 0.914 . . . . 74.45 108.793 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.4 mtmt -75.63 124.96 28.11 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.981 0.801 . . . . 74.41 109.737 171.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 89.2 t -114.04 88.49 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 62.12 108.001 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.2 p -79.92 -36.23 36.68 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 120.621 0.248 . . . . 75.13 110.751 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -116.66 153.25 32.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.376 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -55.71 -38.64 69.99 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.868 1.267 . . . . 65.5 112.163 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.59 -37.44 58.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.332 1.053 . . . . 74.34 112.342 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' HG13 ' A' ' 84' ' ' VAL . 66.4 mt-30 -71.59 -40.52 69.81 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.309 -0.86 . . . . 70.42 110.646 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -62.6 -37.24 85.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.645 0.778 . . . . 62.12 111.269 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.12 -35.6 56.18 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.604 0.761 . . . . 75.13 110.983 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -71.25 -43.91 66.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.557 0.343 . . . . 74.21 111.1 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 26.7 pt -65.05 -25.88 38.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 112.43 0.53 . . . . 74.12 112.43 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -56.0 -39.09 71.37 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.051 0.387 . . . . 71.11 111.302 170.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.47 -37.49 56.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.417 1.087 . . . . 65.23 110.797 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 27.8 t70 -68.26 -37.66 80.97 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.267 1.027 . . . . 74.21 111.961 -172.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.5 mp -75.76 -19.47 59.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.788 0.835 . . . . 75.12 110.533 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 46.8 mmtm . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.691 . . . . 75.21 109.169 170.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 17.3 ttmm . . . . . 0 C--O 1.244 0.814 0 N-CA-C 107.98 -1.119 . . . . 72.24 107.98 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' HB3' ' A' ' 29' ' ' GLU . 23.5 pt -110.89 139.25 35.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-O 121.577 0.703 . . . . 74.4 109.181 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mm -113.49 130.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.124 -1.065 . . . . 64.02 108.124 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 69' ' ' ILE . 54.4 t -112.59 110.13 31.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 108.421 -0.955 . . . . 72.32 108.421 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.474 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 68.4 mt -103.69 124.23 57.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 C-N-CA 124.622 1.169 . . . . 51.23 109.494 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG12 HG21 ' A' ' 65' ' ' ILE . 2.9 mp -93.12 101.05 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.669 -1.604 . . . . 72.24 106.669 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.433 ' HB3' HD22 ' A' ' 34' ' ' LEU . 36.3 t -98.02 104.07 16.07 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.224 -1.028 . . . . 65.41 108.224 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -89.62 73.35 7.72 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.761 -0.829 . . . . 63.43 108.761 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.85 22.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.198 1.799 . . . . 64.22 114.049 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.06 -178.87 7.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.996 0.918 . . . . 54.34 110.962 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -109.07 -48.29 3.29 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 124.282 1.033 . . . . 73.01 110.722 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -56.09 -42.74 77.2 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.966 1.098 . . . . 74.13 113.966 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.55 -20.72 58.46 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 122.123 -0.361 . . . . 73.51 110.593 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.05 -53.01 16.21 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 120.889 0.376 . . . . 72.25 110.287 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.28 -36.38 82.81 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.072 -0.513 . . . . 74.24 110.906 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.94 -36.52 83.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.192 0.597 . . . . 71.54 110.715 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.63 -35.39 65.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.088 0.955 . . . . 41.32 112.492 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -66.16 -41.61 90.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.532 0.733 . . . . 70.12 111.121 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -36.0 72.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.526 0.73 . . . . 74.11 111.147 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 93' ' ' ILE . 87.3 mt -65.37 -47.34 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.984 0.914 . . . . 74.41 110.933 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 11.7 ptpt -71.85 -21.31 61.69 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.666 0.247 . . . . 72.1 111.666 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.84 -14.64 62.92 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.9 0.88 . . . . 73.34 111.413 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.745 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.5 mm-40 -85.24 5.87 28.44 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.642 0.777 . . . . 72.04 110.837 174.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.9 5.17 64.55 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.324 0.488 . . . . 34.52 112.559 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD11 HD21 ' A' ' 97' ' ' LEU . 16.2 mt -78.4 143.66 36.6 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.931 0.493 . . . . 73.44 110.635 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' ILE . 43.5 tt0 -89.2 118.12 28.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.288 -1.004 . . . . 73.54 108.288 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -116.96 125.75 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.055 0.542 . . . . 72.24 110.85 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -105.6 132.87 51.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.225 1.41 . . . . 71.4 107.283 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' HG22 ' A' ' 56' ' ' VAL . 19.1 mm -109.32 124.65 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.934 -0.765 . . . . 72.23 108.934 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 59' ' ' VAL . 50.0 mt -96.46 110.87 23.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.012 -0.736 . . . . 74.21 109.012 171.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -100.79 128.15 46.95 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.815 -1.084 . . . . 75.54 108.821 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 137.11 38.41 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.679 -0.86 . . . . 70.21 108.679 166.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 17.4 t70 -131.3 171.47 13.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.874 1.27 . . . . 64.12 108.035 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.94 -17.77 56.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.428 0.291 . . . . 52.51 111.008 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -143.49 140.08 30.14 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.792 0.806 . . . . 72.55 111.244 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.55 -28.95 69.7 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 113.74 -1.573 . . . . 62.54 113.751 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -78.71 -38.41 39.11 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.215 0.461 . . . . 74.11 111.925 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -72.69 -34.94 67.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.101 -0.703 . . . . 70.34 109.101 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 22.5 tp -56.65 -54.8 41.91 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.674 -1.148 . . . . 64.45 111.788 174.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.41 -31.61 70.54 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.855 0.862 . . . . 63.21 111.023 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.1 mm-40 -60.63 -62.37 1.91 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.837 -0.431 . . . . 75.21 109.837 173.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -55.09 -38.86 68.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.612 1.165 . . . . 63.21 112.097 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.6 mt -56.96 -57.22 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.863 0.727 . . . . 72.42 110.049 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -67.16 -28.2 67.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.342 -0.845 . . . . 73.2 112.297 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 66.4 mmtt -66.21 -52.66 45.78 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.17 -0.678 . . . . 75.11 109.17 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 80.6 mt -66.53 -29.65 69.79 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.153 -0.93 . . . . 74.13 111.844 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 45.6 mtpt -73.0 -35.22 66.8 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.17 0.441 . . . . 74.24 111.115 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -63.27 -33.7 76.07 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.27 0.628 . . . . 74.22 110.633 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -70.42 -21.26 62.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.64 0.776 . . . . 62.4 111.437 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.6 20.98 6.66 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 113.949 0.34 . . . . 54.32 113.949 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 88.1 m-85 -103.33 137.88 40.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.576 0.75 . . . . 75.32 109.438 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.35 89.31 6.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.112 -0.699 . . . . 74.04 109.112 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.8 t -99.72 132.53 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.533 -0.758 . . . . 61.02 109.771 -175.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.05 153.16 48.05 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 123.415 0.686 . . . . 75.34 110.795 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HG3' HD21 ' A' ' 42' ' ' LEU . 63.6 tttm -89.94 127.41 36.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.998 -1.455 . . . . 74.24 109.587 -173.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 33' ' ' LEU . 6.5 m -114.94 151.18 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.834 0.854 . . . . 71.4 110.401 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -66.41 -74.8 0.1 Allowed 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.799 0.687 . . . . 73.31 109.809 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.36 -178.15 4.13 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.953 0.901 . . . . 63.24 109.357 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 65' ' ' ILE . 14.9 m-20 -66.2 -34.08 77.21 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.802 -0.444 . . . . 74.23 109.802 167.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.4 -48.11 13.57 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 114.68 -1.145 . . . . 65.13 111.269 163.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 33.4 t70 -81.95 -19.9 39.69 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.913 0.485 . . . . 63.11 110.724 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 62' ' ' ASP . 60.6 mt -64.25 -55.48 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.338 0.655 . . . . 75.22 110.375 172.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.52 -34.05 77.32 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.097 0.475 . . . . 75.42 110.349 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 64' ' ' ASP . 33.2 ttpt -71.12 -29.19 64.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.325 1.05 . . . . 65.2 110.718 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.491 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.6 t90 -68.36 -42.4 79.27 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 123.288 0.635 . . . . 74.13 109.816 174.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -72.37 -30.78 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 108.99 -0.744 . . . . 73.11 108.99 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.05 -50.54 70.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.932 0.893 . . . . 65.34 111.081 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.15 -35.36 71.65 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.345 0.403 . . . . 70.32 110.93 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -63.33 -43.36 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 122.735 0.414 . . . . 75.24 111.267 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.08 -33.95 76.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.44 0.696 . . . . 74.4 110.676 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -72.69 -36.35 67.85 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.231 1.012 . . . . 75.21 110.785 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.27 -34.5 36.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.108 0.963 . . . . 73.24 110.267 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -128.94 71.45 81.78 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 124.161 0.984 . . . . 71.04 109.613 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.27 4.59 6.96 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.466 2.111 . . . . 70.32 112.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.75 -11.99 46.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.912 0.885 . . . . 74.24 111.707 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.34 176.04 6.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.368 0.667 . . . . 74.23 110.885 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.575 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 4.3 pt-20 -120.58 127.1 51.82 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.041 0.936 . . . . 73.31 109.467 -173.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.05 136.24 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.5 1.12 . . . . 63.13 109.662 -173.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.2 tpt180 -118.48 136.92 53.53 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.642 0.777 . . . . 65.43 109.881 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HG2' HG12 ' A' ' 69' ' ' ILE . 29.9 mtmm -92.55 116.77 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 72.55 108.916 171.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 65.1 t -105.8 90.85 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 123.914 0.886 . . . . 72.01 108.763 175.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.412 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 40.3 p -92.67 -20.68 20.58 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.795 0.438 . . . . 75.42 110.821 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -117.25 151.73 36.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.517 1.127 . . . . 75.34 108.992 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -32.47 71.42 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.889 0.476 . . . . 73.2 109.934 166.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.69 -50.94 41.7 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 124.827 1.251 . . . . 74.2 109.977 171.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -59.49 -43.16 93.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.303 1.002 . . . . 73.35 111.291 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.9 -32.67 74.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.294 0.638 . . . . 65.53 111.894 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -78.9 -35.37 43.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.54 0.736 . . . . 71.52 110.802 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -69.27 -45.18 70.3 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.516 0.727 . . . . 73.11 111.295 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 23' ' ' ILE . 37.5 pt -61.86 -33.68 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.832 0.707 . . . . 74.12 112.051 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.69 -40.26 68.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.015 0.371 . . . . 72.21 110.434 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.58 -34.91 58.43 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 75.04 111.072 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 80.5 m-20 -68.81 -22.34 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.56 0.744 . . . . 70.51 110.682 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.745 HD23 ' HG3' ' A' ' 26' ' ' GLU . 1.7 mp -72.1 -42.49 66.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.407 1.083 . . . . 74.34 109.953 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp . . . . . 0 N--CA 1.477 0.875 0 CA-C-N 115.777 -0.647 . . . . 65.22 110.837 -173.271 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 79.4 tttt . . . . . 0 C--O 1.241 0.651 0 N-CA-C 106.468 -1.679 . . . . 73.51 106.468 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 79' ' ' LEU . 49.5 pt -129.4 147.04 33.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.996 0.903 . . . . 73.31 111.708 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.32 122.89 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 113.933 -1.485 . . . . 75.3 107.218 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 69' ' ' ILE . 76.3 t -109.11 112.23 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 108.181 -1.044 . . . . 75.4 108.181 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.4 mt -106.55 122.19 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.551 0.74 . . . . 62.33 109.864 -173.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 HD12 ' A' ' 65' ' ' ILE . 3.1 mp -89.13 99.45 9.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 105.89 -1.892 . . . . 65.52 105.89 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -90.59 111.02 22.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.121 0.486 . . . . 61.21 110.266 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 m -123.31 113.29 18.67 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.679 -1.23 . . . . 71.51 107.679 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.65 -78.28 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.114 1.366 . . . . 65.33 112.225 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.78 134.42 49.72 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 61.54 112.886 -165.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -85.16 -22.93 28.6 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.82 1.248 . . . . 60.22 112.751 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -63.76 -25.63 68.27 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.657 0.614 . . . . 71.12 112.657 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.1 -42.28 94.36 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.244 0.545 . . . . 75.44 110.026 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.96 -29.42 58.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.644 1.178 . . . . 71.15 110.705 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -66.67 -46.53 75.38 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.879 -0.6 . . . . 62.41 109.514 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 94' ' ' LEU . 95.7 mt -64.68 -32.9 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.181 0.992 . . . . 73.12 110.685 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -59.94 -33.24 71.63 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.186 0.994 . . . . 72.35 111.735 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -72.16 -25.2 61.6 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.245 -0.888 . . . . 75.34 110.958 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 12.8 mptt -79.6 -38.15 34.6 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.464 0.306 . . . . 61.34 110.412 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 20' ' ' ALA . 97.5 mt -58.61 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.001 0.92 . . . . 74.33 110.571 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -56.98 -24.32 52.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 113.068 0.766 . . . . 73.53 113.068 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.67 -19.58 65.81 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.117 0.967 . . . . 71.45 111.979 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' HD23 ' A' ' 97' ' ' LEU . 25.7 mm-40 -77.78 -4.44 46.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.502 0.721 . . . . 42.02 112.035 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.43 32.99 9.7 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.182 0.301 . . . . 75.51 113.569 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -127.28 147.96 50.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.853 0.861 . . . . 64.0 109.165 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 5' ' ' ILE . 29.8 tt0 -76.17 142.51 41.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.244 0.618 . . . . 63.13 110.392 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 20' ' ' ALA . 58.0 t -121.94 127.97 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.939 0.496 . . . . 61.01 109.892 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HE2' HG21 ' A' ' 5' ' ' ILE . 80.2 m-85 -104.04 141.45 36.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.02 -1.104 . . . . 74.21 108.02 175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -122.62 111.68 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 108.081 -1.081 . . . . 74.35 108.081 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 mt -90.8 109.09 20.29 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.421 0.688 . . . . 75.32 109.168 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD23 HG13 ' A' ' 56' ' ' VAL . 4.5 mm? -85.95 122.31 29.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.172 0.589 . . . . 73.42 110.089 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -149.17 115.65 5.86 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.919 0.888 . . . . 70.11 108.897 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' HD13 ' A' ' 42' ' ' LEU . 24.9 t70 -135.63 171.9 13.79 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.66 0.784 . . . . 72.34 109.245 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 4.3 mptt -64.0 -29.74 70.87 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.012 0.525 . . . . 75.31 110.66 175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.93 117.92 26.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.081 0.953 . . . . 42.44 110.099 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.39 -19.33 62.28 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.667 1.187 . . . . 64.21 113.811 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.09 -59.27 4.31 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.261 0.482 . . . . 72.11 111.092 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.3 ttt-85 -76.11 -21.57 56.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.404 0.681 . . . . 70.25 110.592 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' HB2' ' A' ' 36' ' ' ASP . 46.5 tp -59.82 -38.12 81.11 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.479 0.712 . . . . 74.23 110.755 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 30.0 tt0 -77.96 -30.72 50.5 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.63 -0.714 . . . . 73.23 112.322 -174.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -66.19 -33.57 76.05 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.782 -0.451 . . . . 73.54 109.782 177.165 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.54 -32.0 73.08 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 115.49 -0.777 . . . . 71.35 110.826 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 43' ' ' GLU . 58.1 mt -59.2 -40.84 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.368 0.667 . . . . 72.3 109.804 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -67.24 -43.24 82.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.809 -0.632 . . . . 75.41 110.232 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -57.38 -41.95 81.18 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.917 0.887 . . . . 64.32 111.709 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.0 mt -77.08 -33.41 57.05 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.44 -0.8 . . . . 75.45 112.292 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.89 -33.86 75.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.239 0.216 . . . . 71.54 110.656 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -61.29 -34.33 75.03 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.899 0.48 . . . . 70.14 111.502 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -83.74 -4.62 58.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.293 0.637 . . . . 70.13 111.945 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.27 46.31 8.23 Favored Glycine 0 C--N 1.347 1.159 0 O-C-N 122.959 0.162 . . . . 24.54 113.133 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -104.43 143.16 33.38 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.124 0.57 . . . . 61.51 110.19 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 91.03 6.28 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.173 -1.417 . . . . 74.44 107.173 172.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 HD23 ' A' ' 34' ' ' LEU . 49.3 t -93.88 132.84 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.762 -1.108 . . . . 55.22 110.583 -171.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 129.65 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.706 -0.849 . . . . 70.04 108.706 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.94 131.03 34.75 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.328 -0.99 . . . . 73.44 108.328 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 65' ' ' ILE . 19.0 m -121.14 169.35 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.393 0.677 . . . . 73.12 109.932 -176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.2 mmpt? -93.85 -69.34 0.75 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 122.924 0.489 . . . . 73.13 110.004 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.29 176.04 8.86 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.152 0.581 . . . . 61.05 110.837 -169.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.79 -33.64 72.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.073 0.949 . . . . 70.21 112.067 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.43 -36.97 62.11 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.858 0.463 . . . . 54.11 111.244 165.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.19 -32.13 55.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.247 0.619 . . . . 73.25 111.469 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 59' ' ' VAL . 8.9 mm -63.59 -54.08 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 123.692 0.797 . . . . 74.54 110.453 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.99 -38.99 80.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.46 1.104 . . . . 75.32 110.905 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -67.1 -39.34 86.69 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.47 -1.241 . . . . 63.02 110.446 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -61.87 -44.46 96.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.19 0.996 . . . . 72.3 111.124 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -74.54 -37.28 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 115.9 -0.591 . . . . 73.33 109.863 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.54 -45.44 91.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.526 0.731 . . . . 73.24 110.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -74.81 -26.6 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.168 -0.469 . . . . 55.03 110.98 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.42 -35.17 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 C-N-CA 122.803 0.441 . . . . 73.34 111.235 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.09 -26.79 68.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.574 0.35 . . . . 73.14 110.953 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -81.6 -37.5 27.54 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.707 0.803 . . . . 64.45 110.195 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 17.8 mm-40 -64.34 -51.83 61.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.298 0.57 . . . . 64.23 110.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -137.42 88.65 16.69 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.308 1.043 . . . . 75.32 108.573 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.63 -7.81 19.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.657 2.238 . . . . 64.01 113.695 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.95 -28.07 69.27 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.597 0.962 . . . . 64.34 113.597 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -113.4 155.19 25.69 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.493 0.923 . . . . 71.45 113.493 -164.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.555 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 52.1 mt-10 -80.0 147.21 31.64 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.396 -1.275 . . . . 73.21 108.495 168.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.91 122.86 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.202 -0.666 . . . . 72.44 109.202 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -113.01 136.73 52.37 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.791 -0.818 . . . . 64.53 108.791 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HG2' HG12 ' A' ' 69' ' ' ILE . 34.5 mtmm -99.4 117.36 33.66 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.158 -1.053 . . . . 71.04 108.158 171.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 90' ' ' ALA . 99.1 t -109.56 92.38 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.028 -0.73 . . . . 74.02 109.028 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.4 p -87.64 -16.17 35.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.655 -0.702 . . . . 64.11 111.344 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -137.73 149.55 46.57 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.656 0.782 . . . . 74.41 110.302 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.61 -36.95 57.36 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.073 1.349 . . . . 74.32 112.484 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 14.7 t70 -49.56 -46.21 48.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.547 1.139 . . . . 63.42 112.032 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.25 -34.24 74.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.108 0.563 . . . . 53.32 111.212 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.91 -35.61 80.39 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.58 0.55 . . . . 73.22 111.005 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.22 -38.32 75.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.813 0.845 . . . . 65.54 111.047 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 16.5 mm100 -77.36 -35.21 54.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.819 0.448 . . . . 55.22 111.472 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.482 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 14.2 pt -72.36 -23.37 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 112.184 0.438 . . . . 60.04 112.184 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -53.92 -31.12 49.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 120.633 0.254 . . . . 64.01 110.342 166.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.85 -54.38 6.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.442 0.697 . . . . 75.42 110.292 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t70 -43.32 -43.36 4.95 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.991 1.316 . . . . 35.23 114.148 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 93' ' ' ILE . 6.5 mp -66.77 -26.63 67.06 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.68 0.792 . . . . 73.04 111.646 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.486 1.334 0 C-N-CA 124.438 1.095 . . . . 61.55 111.195 178.03 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 109.83 -0.433 . . . . 73.55 109.83 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 79' ' ' LEU . 38.6 pt -122.71 141.37 43.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 108.913 -0.773 . . . . 75.45 108.913 168.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -113.44 126.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.213 -1.032 . . . . 73.42 108.213 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 69' ' ' ILE . 61.7 t -111.42 107.59 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.977 -0.749 . . . . 73.23 108.977 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 20' ' ' ALA . 19.4 mt -100.69 118.66 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.524 0.73 . . . . 73.52 109.588 -174.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.79 101.26 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 107.437 -1.32 . . . . 74.44 107.437 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.0 t -100.08 148.14 24.88 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.351 0.66 . . . . 74.51 111.075 -177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 p -144.49 81.66 1.67 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.498 -1.228 . . . . 54.43 109.183 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t70 76.94 -38.13 0.3 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.106 1.362 . . . . 72.44 113.352 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.67 142.73 58.33 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.097 0.559 . . . . 61.41 112.067 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -100.47 -20.79 15.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.77 0.828 . . . . 74.11 112.443 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -58.31 -47.23 84.37 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.68 0.622 . . . . 75.42 112.68 -173.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -76.32 -21.13 56.57 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 111.965 0.357 . . . . 73.32 111.965 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.32 -40.37 70.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.118 0.567 . . . . 73.33 110.365 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.92 -34.28 51.38 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.433 -0.349 . . . . 51.41 110.978 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.72 -35.41 72.64 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.832 0.453 . . . . 71.15 110.077 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -55.5 -34.79 64.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.441 1.096 . . . . 61.21 112.606 177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -67.7 -36.22 80.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.948 0.899 . . . . 75.41 110.692 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -71.52 -42.01 68.51 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.469 0.708 . . . . 70.03 109.426 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 HD11 ' A' ' 28' ' ' LEU . 96.4 mt -62.07 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.855 1.262 . . . . 74.43 111.732 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.8 ptpt -76.86 -16.83 59.3 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.737 0.643 . . . . 44.14 112.737 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.33 -12.0 12.14 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.45 0.7 . . . . 65.41 111.967 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.602 ' HG3' HD23 ' A' ' 97' ' ' LEU . 33.4 mm-40 -73.94 -8.94 57.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.34 1.056 . . . . 74.41 112.64 171.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.21 29.81 13.92 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.053 0.221 . . . . 71.31 112.712 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.621 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -122.0 158.9 28.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.78 0.832 . . . . 74.23 109.593 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -87.18 143.25 27.38 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.079 0.4 . . . . 71.35 110.824 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 24' ' ' LYS . 71.3 t -120.64 129.84 75.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 123.682 0.793 . . . . 72.53 109.42 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 97.3 m-85 -110.66 117.47 33.59 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.893 1.277 . . . . 73.12 107.985 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 8.5 mm -95.1 122.87 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 108.901 -0.777 . . . . 70.44 108.901 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 59' ' ' VAL . 54.3 mt -97.98 104.57 16.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.131 -0.692 . . . . 75.13 109.131 173.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.7 OUTLIER -89.78 128.22 36.1 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.641 -0.874 . . . . 63.32 108.641 -178.157 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -146.6 122.64 10.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.469 -0.937 . . . . 70.24 108.469 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' H ' HD22 ' A' ' 42' ' ' LEU . 21.4 t70 -132.76 171.48 13.83 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.572 1.149 . . . . 74.34 108.278 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -70.44 -30.51 67.38 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.016 0.527 . . . . 71.54 110.875 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -115.72 113.08 22.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.86 0.864 . . . . 71.04 109.832 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.49 -15.83 63.88 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.326 1.232 . . . . 75.1 114.326 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.89 -59.42 2.72 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.883 0.765 . . . . 75.21 110.234 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -69.13 -22.98 63.92 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.741 0.651 . . . . 71.43 110.169 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 ' H ' ' A' ' 36' ' ' ASP . 38.3 tp -63.05 -51.49 66.5 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.15 1.38 . . . . 75.13 111.219 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 11.4 mm-40 -63.0 -37.13 85.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.981 0.512 . . . . 71.11 111.478 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.71 -38.12 86.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.495 0.718 . . . . 72.4 110.758 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.8 -41.09 97.3 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.814 1.245 . . . . 74.44 109.923 177.554 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.84 -46.82 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.678 -1.601 . . . . 74.11 110.854 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.2 mm-40 -64.59 -37.83 88.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 123.468 0.48 . . . . 73.23 111.22 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -64.28 -46.02 85.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.897 0.748 . . . . 64.01 111.202 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 56' ' ' VAL . 97.6 mt -69.3 -31.72 70.39 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 123.841 0.713 . . . . 75.11 112.008 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.59 -35.19 70.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.643 0.377 . . . . 65.21 110.17 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 t -67.49 -31.78 72.14 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.528 0.731 . . . . 71.21 111.311 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.53 -19.39 63.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.191 0.596 . . . . 72.43 111.316 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.47 49.71 2.51 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.731 -0.548 . . . . 64.1 111.731 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.48 136.0 52.9 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.807 -1.183 . . . . 61.24 107.807 171.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.56 102.15 9.59 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.835 -0.802 . . . . 75.14 108.835 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' A' ' 49' ' ' LEU . 27.3 t -113.33 132.54 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.023 -0.989 . . . . 65.33 109.732 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -127.38 143.47 51.21 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.062 -1.088 . . . . 74.33 108.062 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -85.87 132.52 34.08 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.643 -1.243 . . . . 75.41 107.643 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 33' ' ' LEU . 3.5 m -114.51 152.5 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.335 0.654 . . . . 64.45 110.066 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -73.14 -43.98 60.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.74 -1.118 . . . . 51.1 110.851 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -173.61 -175.66 1.15 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.325 1.05 . . . . 63.23 110.372 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -68.1 -43.22 78.97 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.255 0.835 . . . . 73.53 113.255 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 7.5 m-20 -50.86 -38.08 47.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.556 0.342 . . . . 52.31 110.493 171.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.62 -40.23 76.7 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.594 0.757 . . . . 72.34 109.719 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 HD12 ' A' ' 33' ' ' LEU . 90.7 mt -62.25 -51.57 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 124.082 0.953 . . . . 74.4 112.141 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.58 -55.27 35.97 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.374 0.67 . . . . 72.43 111.456 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -66.15 -21.24 66.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.285 -0.87 . . . . 71.02 112.795 175.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 69' ' ' ILE . 54.4 t90 -64.35 -36.72 85.05 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.34 0.591 . . . . 74.24 110.097 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -76.14 -41.88 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 115.353 -0.84 . . . . 73.53 109.958 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 37.9 t70 -61.92 -37.82 86.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.055 0.942 . . . . 63.21 112.037 -172.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 15.1 ptmm? -67.89 -39.1 83.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 123.564 0.54 . . . . 52.34 111.289 178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.55 -33.79 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 122.491 0.316 . . . . 65.34 110.621 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 70' ' ' ASP . 10.5 mtmp? -63.85 -31.63 72.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.549 0.34 . . . . 72.44 111.169 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -73.78 -39.09 64.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.024 0.53 . . . . 65.51 110.151 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 7.3 mm-40 -71.34 -35.37 71.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.705 0.402 . . . . 62.4 111.338 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -141.02 91.71 8.84 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.665 0.786 . . . . 74.32 110.311 -174.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 -15.63 21.06 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.774 2.316 . . . . 75.02 113.048 170.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.1 -29.56 68.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.713 0.805 . . . . 61.42 112.519 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 5' ' ' ILE . 2.6 pp -110.43 163.1 14.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.488 1.115 . . . . 71.35 110.355 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.58 ' HG2' ' HB3' ' A' ' 4' ' ' LYS . 2.0 pm0 -101.29 164.32 11.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.749 -0.463 . . . . 74.02 109.749 167.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -134.64 130.07 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.496 0.718 . . . . 61.22 109.153 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.5 tpt180 -126.05 125.29 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.196 0.598 . . . . 75.24 110.149 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -91.17 117.36 29.55 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.085 0.554 . . . . 71.14 109.546 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG11 ' HB2' ' A' ' 90' ' ' ALA . 50.1 t -99.2 94.89 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.363 1.065 . . . . 74.23 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -85.98 -8.89 57.66 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.799 -1.092 . . . . 54.14 112.338 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -155.79 158.26 37.84 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.304 1.042 . . . . 74.0 108.454 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 12.6 pt-20 -55.52 -28.81 56.92 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.566 0.747 . . . . 70.44 112.227 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.99 -44.61 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.381 1.073 . . . . 74.53 111.282 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.7 mm100 -62.31 -37.17 84.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.857 0.723 . . . . 72.31 110.925 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.504 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.88 -33.29 75.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.19 0.596 . . . . 71.33 111.236 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 94' ' ' LEU . 58.5 mtpt -77.68 -32.67 53.22 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.251 0.621 . . . . 74.1 111.339 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.03 -44.88 83.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.199 0.6 . . . . 65.45 110.005 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.549 HG21 ' HG2' ' A' ' 82' ' ' ARG . 26.3 pt -73.38 -22.67 19.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 112.825 0.676 . . . . 73.12 112.825 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 90' ' ' ALA . 95.6 mt -54.58 -30.27 53.84 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.654 0.661 . . . . 75.12 110.484 167.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.08 -50.42 8.52 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.669 0.787 . . . . 72.33 110.164 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 61.0 m-20 -54.14 -29.17 44.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 113.666 0.987 . . . . 60.32 113.666 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 26' ' ' GLU . 3.9 mp -75.73 -20.88 58.01 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.775 0.83 . . . . 50.12 110.356 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-N 115.064 -0.971 . . . . 70.24 109.371 173.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 108.87 -0.789 . . . . 75.01 108.87 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.31 158.53 4.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 108.591 -0.892 . . . . 73.23 108.591 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -117.48 136.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 107.692 -1.225 . . . . 71.03 107.692 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 69' ' ' ILE . 97.3 t -113.04 114.73 47.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.142 -1.429 . . . . 71.55 107.142 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 67.4 mt -110.77 123.21 66.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.267 -1.012 . . . . 73.31 108.267 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -95.9 96.15 5.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 105.251 -2.129 . . . . 63.33 105.251 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.4 t -79.46 98.68 6.89 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.014 -1.476 . . . . 75.34 107.014 -173.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 t -100.37 86.74 3.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.25 -0.886 . . . . 51.05 110.194 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 77.09 -59.39 0.48 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.524 1.529 . . . . 61.14 112.757 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.92 153.73 41.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.308 1.043 . . . . 52.52 111.808 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -84.66 -23.26 29.53 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.979 0.733 . . . . 73.33 112.979 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 m -50.59 -40.67 53.09 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.055 0.761 . . . . 74.14 113.055 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 16' ' ' LEU . 4.7 mp -70.38 -29.9 66.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.968 0.507 . . . . 73.3 110.677 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.4 -41.43 76.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.165 0.986 . . . . 71.13 110.208 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -69.12 -48.83 61.43 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.974 0.909 . . . . 74.43 111.483 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.727 HD22 HD11 ' A' ' 94' ' ' LEU . 94.9 mt -66.12 -37.97 87.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.565 0.746 . . . . 53.12 111.048 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -35.79 30.55 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.6 1.16 . . . . 72.44 113.564 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -73.85 -30.89 62.92 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.366 -0.833 . . . . 72.5 111.134 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.69 -43.48 89.11 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.474 0.71 . . . . 75.41 110.068 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.61 -52.27 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.779 0.675 . . . . 75.33 112.154 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.6 ptpt -67.19 -19.07 65.51 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.416 0.895 . . . . 70.35 113.416 -173.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.15 -23.79 62.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.539 0.736 . . . . 70.2 111.464 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.54 -1.06 17.09 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.943 0.897 . . . . 63.35 112.295 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 32.12 5.97 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 123.155 0.407 . . . . 65.23 113.933 171.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 174.18 9.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.374 0.67 . . . . 72.33 110.59 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -98.36 147.55 24.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.398 0.679 . . . . 74.01 109.772 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 24' ' ' LYS . 89.5 t -119.44 131.9 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.625 0.77 . . . . 72.31 109.236 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 83.5 m-85 -108.95 115.19 29.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.344 -0.984 . . . . 73.21 108.344 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' HG22 ' A' ' 56' ' ' VAL . 34.6 mm -91.33 131.33 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.493 -0.558 . . . . 73.12 109.493 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.611 ' HB2' HG13 ' A' ' 9' ' ' ILE . 74.3 mt -103.86 106.75 17.35 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.315 -0.994 . . . . 74.21 108.315 167.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -78.39 127.79 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.729 -0.668 . . . . 73.34 109.28 -173.208 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -133.43 120.5 20.99 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 106.765 -1.568 . . . . 60.35 106.765 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -132.78 170.0 15.9 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.703 -0.851 . . . . 74.41 108.703 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -37.44 74.44 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.656 -0.868 . . . . 73.0 108.656 174.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.67 123.76 50.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.782 0.833 . . . . 75.35 108.977 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.1 -18.8 65.58 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.139 0.427 . . . . 45.52 111.224 173.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -54.86 -59.17 5.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.864 1.266 . . . . 72.1 109.922 167.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -74.08 -24.42 59.49 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.852 -1.067 . . . . 74.3 111.667 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.1 tt -60.54 -53.72 54.1 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 71.31 109.699 174.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.06 -39.89 91.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.839 0.856 . . . . 74.4 111.278 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.94 -40.65 91.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.835 0.854 . . . . 70.33 110.572 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 34' ' ' LEU . 38.8 ttmt -72.5 -26.76 61.9 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.843 0.857 . . . . 53.23 111.209 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.611 HG23 ' HB ' ' A' ' 56' ' ' VAL . 38.8 mt -59.0 -44.79 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.086 -0.709 . . . . 74.05 109.086 169.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -67.71 -39.07 84.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.148 0.579 . . . . 65.1 110.879 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.19 -55.0 38.5 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.95 0.781 . . . . 73.35 110.711 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 56' ' ' VAL . 65.2 mt -71.67 -36.93 70.79 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.204 -0.907 . . . . 63.41 112.043 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 30.2 mtpp -62.38 -42.0 99.08 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 118.604 0.638 . . . . 73.14 111.254 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 t -65.45 -30.43 71.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.216 0.606 . . . . 51.13 111.656 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.478 ' NE2' HD23 ' A' ' 49' ' ' LEU . 49.9 mt-30 -71.47 -22.39 61.82 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.775 0.43 . . . . 75.3 111.106 173.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.74 6.92 7.63 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-O 119.652 -0.527 . . . . 64.15 113.96 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 93.7 m-85 -85.33 160.8 19.73 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.647 0.724 . . . . 74.53 110.76 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -104.22 114.65 29.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.476 -1.305 . . . . 72.44 107.476 165.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' A' ' 46' ' ' ILE . 12.4 t -117.66 133.16 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.26 0.624 . . . . 65.43 109.815 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 3.3 mmp_? -127.23 152.48 47.33 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.689 0.796 . . . . 73.23 110.665 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -92.3 125.55 37.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 108.006 -1.109 . . . . 74.43 108.006 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 33' ' ' LEU . 5.6 m -121.06 178.78 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.901 0.88 . . . . 62.35 110.169 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -109.24 -96.58 0.39 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.562 0.745 . . . . 73.25 109.838 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -95.6 175.35 6.58 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.523 0.729 . . . . 73.4 109.159 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.7 t70 -64.23 -27.94 69.4 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.38 0.672 . . . . 72.12 111.011 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -54.55 -48.24 72.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.371 0.668 . . . . 65.21 111.267 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.4 -33.67 65.12 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.649 0.779 . . . . 74.44 111.132 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.489 HG23 HD12 ' A' ' 33' ' ' LEU . 93.6 mt -59.83 -49.17 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.797 -1.092 . . . . 63.13 110.041 171.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.11 -38.19 90.2 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.026 0.93 . . . . 62.11 111.124 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -72.07 -29.67 64.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.726 0.81 . . . . 74.5 110.549 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.414 ' HE3' HD12 ' A' ' 69' ' ' ILE . 55.8 t90 -70.36 -33.85 71.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.697 0.799 . . . . 63.43 110.333 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.561 HG12 ' HG3' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -36.46 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.003 0.521 . . . . 75.23 109.638 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.14 -43.05 82.07 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.993 0.917 . . . . 72.44 111.771 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -66.42 -36.6 83.22 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.212 -0.423 . . . . 64.22 111.369 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mt -70.17 -36.29 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.207 0.458 . . . . 72.23 110.401 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.516 0.326 . . . . 74.45 110.591 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 74' ' ' LYS . 4.1 ttmp? -79.16 -42.6 25.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 74.52 111.629 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 16.8 mm-40 -82.77 -40.23 20.75 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.264 0.626 . . . . 74.44 110.33 -176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -129.65 83.55 64.15 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.937 0.895 . . . . 71.34 110.965 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.74 -5.95 18.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.928 2.419 . . . . 61.25 112.271 166.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.02 -7.14 38.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.317 1.047 . . . . 70.21 113.199 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.44 144.34 34.37 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.058 0.943 . . . . 73.42 109.714 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.46 144.41 39.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.434 -0.58 . . . . 75.23 109.434 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.35 123.82 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.195 -0.669 . . . . 62.14 109.195 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -109.54 132.9 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.726 0.811 . . . . 71.45 109.451 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 69' ' ' ILE . 12.0 mtpt -95.47 121.28 36.98 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 108.721 -0.844 . . . . 70.22 108.721 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 93' ' ' ILE . 69.4 t -122.02 89.54 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 N-CA-C 107.891 -1.151 . . . . 71.4 107.891 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 16.4 p -91.27 -25.02 19.67 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.011 0.524 . . . . 64.15 111.309 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -117.96 155.12 30.8 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.042 0.937 . . . . 71.02 110.129 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.78 -44.69 86.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.604 1.161 . . . . 62.32 112.738 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 7.6 p-10 -57.77 -37.87 74.44 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.614 0.571 . . . . 73.15 111.388 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 49.9 mt-30 -62.98 -41.23 99.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.17 0.588 . . . . 64.22 110.471 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.21 68.08 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.672 0.789 . . . . 63.53 111.914 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.1 -34.48 43.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.454 0.702 . . . . 73.31 111.816 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.9 mm100 -78.82 -36.6 42.34 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.628 0.371 . . . . 72.21 111.46 -176.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HG21 ' A' ' 84' ' ' VAL . 23.0 pt -62.28 -27.24 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 111.725 0.269 . . . . 73.42 111.725 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.727 HD11 HD22 ' A' ' 19' ' ' LEU . 95.7 mt -51.69 -42.76 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.51 0.324 . . . . 74.44 111.59 171.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.81 -28.83 27.82 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.721 0.808 . . . . 71.24 111.645 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 15.7 t70 -61.08 -47.92 84.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.957 0.903 . . . . 74.52 111.366 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.6 mp -70.31 -20.55 63.0 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.98 -1.009 . . . . 75.44 110.82 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 28.1 mmmt . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 123.214 0.605 . . . . 65.02 110.601 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 20.7 ttpt . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 109.501 -0.555 . . . . 70.25 109.501 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 72' ' ' ILE . 46.8 pt -121.26 144.29 30.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 107.927 -1.138 . . . . 72.32 107.927 168.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.532 HG13 HG21 ' A' ' 23' ' ' ILE . 47.2 mm -113.13 106.91 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.919 -0.771 . . . . 72.43 108.919 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 69' ' ' ILE . 54.1 t -80.27 125.05 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 109.376 -0.601 . . . . 71.31 109.376 171.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.448 HD12 ' HB2' ' A' ' 20' ' ' ALA . 37.0 mt -116.26 131.21 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.001 -0.74 . . . . 61.52 109.001 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.663 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -96.24 92.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 105.906 -1.887 . . . . 74.23 105.906 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 t -100.49 123.12 44.29 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.521 -0.763 . . . . 62.31 110.343 -170.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -138.55 119.35 14.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.545 -1.28 . . . . 70.52 107.545 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 73.2 -79.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.137 1.375 . . . . 72.5 113.607 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.79 138.63 58.57 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 113.756 1.021 . . . . 75.53 113.756 -166.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.2 m -89.51 -14.82 34.39 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.27 -1.332 . . . . 75.24 111.973 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -29.64 69.75 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.973 -0.455 . . . . 72.24 111.704 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.13 -29.77 66.78 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.826 -0.435 . . . . 74.33 109.826 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 49' ' ' LEU . 33.0 mt-10 -76.53 -37.33 56.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.574 1.15 . . . . 72.32 109.708 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 35.5 mm-40 -62.99 -58.46 7.24 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 115.479 -0.782 . . . . 64.54 109.369 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.8 mt -54.0 -40.19 66.75 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.632 1.208 . . . . 63.24 110.797 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.44 -48.93 71.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.327 1.051 . . . . 53.1 112.046 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -68.59 -25.53 64.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.857 -1.065 . . . . 74.4 111.143 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 1.8 mptm? -83.82 -35.95 23.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.329 0.652 . . . . 64.12 111.718 177.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 6' ' ' ILE . 74.3 mt -56.92 -52.19 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 123.599 0.76 . . . . 73.54 110.638 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.7 ptpt -60.25 -22.4 63.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 124.176 0.922 . . . . 75.04 112.909 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.21 -23.93 65.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.329 0.652 . . . . 71.1 111.78 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.96 -1.54 9.95 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.361 0.664 . . . . 72.21 112.533 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 26.08 7.45 Favored Glycine 0 C--N 1.345 1.071 0 C-N-CA 122.968 0.318 . . . . 43.22 112.819 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -128.57 176.57 7.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.469 0.708 . . . . 75.02 110.545 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -107.0 153.0 23.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.709 0.403 . . . . 71.44 110.074 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 24' ' ' LYS . 88.7 t -119.37 127.5 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 123.69 0.796 . . . . 64.42 109.615 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -103.24 154.74 19.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.368 -1.345 . . . . 75.32 107.368 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 49' ' ' LEU . 31.9 mm -124.97 134.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 108.597 -0.89 . . . . 62.11 108.597 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD13 HG11 ' A' ' 59' ' ' VAL . 28.8 mt -104.68 113.21 26.65 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.642 -0.873 . . . . 53.02 108.642 164.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.683 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 122.34 39.8 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.848 -0.797 . . . . 40.21 108.848 -176.124 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.61 116.25 8.67 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 107.687 -1.227 . . . . 70.35 107.687 172.168 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' H ' HD12 ' A' ' 42' ' ' LEU . 31.7 t70 -134.05 162.76 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.419 0.687 . . . . 74.14 109.673 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -69.57 -25.33 63.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.809 0.843 . . . . 73.55 111.685 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.39 112.77 23.56 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.948 0.899 . . . . 64.45 109.103 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -29.29 61.57 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.629 0.772 . . . . 73.31 111.353 168.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -56.07 -58.19 8.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 60.3 110.76 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.86 -30.5 62.69 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.342 -0.845 . . . . 73.34 111.09 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.3 tt -58.48 -50.64 73.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.249 1.02 . . . . 72.05 110.088 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.38 -47.04 82.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.46 1.104 . . . . 74.41 111.319 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.93 -45.32 93.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.599 -0.728 . . . . 64.01 110.078 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.33 -39.52 90.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.289 1.036 . . . . 70.31 111.849 -174.182 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 56' ' ' VAL . 43.6 mt -55.96 -49.58 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.867 0.73 . . . . 74.43 109.964 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.51 -26.44 62.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.156 0.582 . . . . 75.22 112.002 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 32.8 mmtp -72.52 -39.0 67.91 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.936 0.398 . . . . 71.14 109.985 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.1 mt -72.08 -39.19 69.15 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.446 -0.797 . . . . 71.13 111.041 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 47.0 mtpt -66.78 -32.53 73.88 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.452 0.301 . . . . 74.24 110.584 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -41.76 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 122.908 0.483 . . . . 75.1 110.991 169.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.31 -13.72 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.542 0.737 . . . . 74.43 111.492 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.71 52.81 1.75 Allowed Glycine 0 C--N 1.35 1.332 0 C-N-CA 123.304 0.478 . . . . 41.51 112.516 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -123.42 143.27 50.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.442 0.697 . . . . 70.33 110.318 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.42 87.62 7.47 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.531 -0.914 . . . . 74.33 108.531 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 46' ' ' ILE . 8.0 t -97.09 131.42 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.185 -0.916 . . . . 52.53 110.505 -171.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -133.12 141.14 48.0 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.866 1.266 . . . . 74.55 108.022 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -87.04 139.16 30.85 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.851 0.46 . . . . 75.14 109.921 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG11 HD13 ' A' ' 33' ' ' LEU . 9.8 m -137.91 177.81 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.328 1.051 . . . . 75.44 108.592 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -103.84 -78.34 0.56 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.289 0.636 . . . . 74.13 111.289 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -124.03 176.24 6.47 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.874 0.87 . . . . 64.23 108.748 -169.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.583 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 23.3 t70 -71.72 -15.25 62.19 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.934 0.397 . . . . 74.12 110.847 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.13 -48.53 76.05 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.386 0.675 . . . . 72.45 109.571 165.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.54 -42.81 58.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.28 1.032 . . . . 73.2 110.501 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HD2' ' A' ' 83' ' ' LYS . 94.3 mt -63.52 -55.37 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.861 0.865 . . . . 73.11 111.189 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 36.1 t70 -59.5 -34.45 72.62 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.049 0.54 . . . . 61.0 111.286 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -77.57 -31.73 53.33 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.137 1.375 . . . . 74.33 110.76 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.0 t90 -69.13 -43.15 74.97 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.413 1.085 . . . . 74.52 110.195 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 7' ' ' VAL . 2.0 mp -72.76 -38.72 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.146 0.578 . . . . 34.42 109.59 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.72 -43.43 76.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.1 0.96 . . . . 72.32 111.018 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -74.65 -34.65 62.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.029 -0.51 . . . . 73.11 111.276 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.7 mm -61.05 -38.32 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 118.317 0.508 . . . . 72.23 110.154 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -72.9 -27.78 62.09 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.753 0.649 . . . . 74.24 112.753 -177.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -89.16 -38.14 14.52 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 120.727 0.299 . . . . 74.43 110.664 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.45 -39.13 68.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.762 0.825 . . . . 70.13 109.808 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -122.33 79.49 45.08 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 124.274 1.03 . . . . 61.34 108.911 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.48 9.77 3.55 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.748 2.299 . . . . 70.04 112.809 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -75.88 -45.51 35.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.731 0.813 . . . . 74.31 109.56 174.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -110.45 137.7 47.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.416 0.686 . . . . 64.52 110.478 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.92 152.54 21.99 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.601 -0.888 . . . . 70.44 108.601 172.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' HB ' HG23 ' A' ' 69' ' ' ILE . 16.4 t -128.59 143.6 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.805 -0.443 . . . . 64.23 109.805 -174.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.402 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.4 tpt180 -126.54 131.65 51.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.062 0.945 . . . . 73.54 109.611 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.9 mtmt -84.05 138.06 33.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.854 0.861 . . . . 73.44 109.241 170.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 43.9 t -130.11 94.0 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.735 0.814 . . . . 71.35 109.443 176.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.663 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 66.7 p -81.8 -30.43 32.23 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 120.899 0.381 . . . . 72.34 112.011 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-20 -119.39 158.46 26.11 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.432 0.693 . . . . 73.44 111.105 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -50.21 -47.42 54.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.164 1.386 . . . . 75.44 111.597 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 37.1 t70 -63.06 -31.65 72.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.9 -0.591 . . . . 72.44 111.549 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.472 ' HB2' HG13 ' A' ' 84' ' ' VAL . 11.0 mm100 -67.62 -35.88 79.77 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.692 0.397 . . . . 52.33 110.636 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.99 -34.14 75.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.861 -0.609 . . . . 65.03 111.076 172.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 8.8 mtpm? -69.51 -40.71 76.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.149 0.579 . . . . 73.13 111.057 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.5 mm-40 -66.32 -47.02 74.89 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.573 0.546 . . . . 61.34 110.016 -176.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 40.4 pt -66.31 -28.62 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.655 0.613 . . . . 72.35 112.655 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 35.9 mt -57.54 -51.05 71.04 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 118.391 0.541 . . . . 74.42 109.683 170.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.15 -26.63 67.52 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.517 1.127 . . . . 74.24 111.574 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.5 t70 -80.89 -27.58 36.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.137 0.975 . . . . 74.13 111.019 -175.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.8 mp -80.51 -14.86 57.89 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.281 0.633 . . . . 72.14 110.073 174.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 26.2 mmmt . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.444 -0.576 . . . . 74.22 109.444 173.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.6 ttmm . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 106.384 -1.71 . . . . 43.43 106.384 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 81' ' ' VAL . 39.1 pt -134.19 148.82 29.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 CA-C-O 121.334 0.588 . . . . 73.25 109.502 169.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mm -116.35 126.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.014 -1.106 . . . . 74.03 108.014 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 31' ' ' TYR . 83.4 t -104.94 114.64 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.111 -1.07 . . . . 72.04 108.111 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.1 mt -104.8 120.65 55.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.908 -0.775 . . . . 64.22 108.908 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.59 91.35 3.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 106.507 -1.664 . . . . 73.01 106.507 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.679 ' HA ' HD13 ' A' ' 16' ' ' LEU . 8.7 t -87.96 111.96 22.05 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.903 -0.589 . . . . 71.23 110.896 -170.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -82.23 -145.06 0.06 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.949 1.3 . . . . 44.21 109.388 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.3 -25.11 54.49 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 123.151 0.581 . . . . 63.43 110.719 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.8 130.07 43.25 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.343 0.657 . . . . 70.34 111.407 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 13.4 t -89.53 -18.48 26.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.84 0.456 . . . . 55.22 111.943 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -57.33 -30.89 65.17 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.585 0.63 . . . . 74.3 111.51 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 10' ' ' SER . 11.5 mt -57.12 -55.62 32.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.662 1.185 . . . . 73.02 111.652 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.75 -24.08 56.06 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.405 1.082 . . . . 73.41 111.944 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 14' ' ' THR . 43.9 mt-10 -70.23 -50.92 34.88 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.967 0.507 . . . . 72.1 110.138 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 67.8 mt -64.35 -32.32 73.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.847 0.859 . . . . 63.41 111.395 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -37.41 7.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.135 1.374 . . . . 64.15 113.468 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -72.02 -42.3 66.52 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.109 -0.496 . . . . 53.1 111.35 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 11.4 mptt -58.65 -36.43 74.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.059 0.544 . . . . 74.2 110.677 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.35 -56.86 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 123.491 0.495 . . . . 74.52 110.613 173.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.5 ptpt -67.85 -19.3 65.03 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.523 0.935 . . . . 72.42 113.523 -172.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -65.73 -10.8 40.16 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 112.735 0.643 . . . . 75.13 112.735 172.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.28 -15.27 60.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.106 0.562 . . . . 63.53 111.388 170.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.44 25.65 4.87 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.371 -0.127 . . . . 53.43 113.31 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -127.58 175.85 7.94 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.449 0.7 . . . . 44.3 110.185 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -100.45 152.01 20.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.728 0.411 . . . . 65.22 111.015 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 24' ' ' LYS . 95.9 t -120.49 125.83 74.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.061 0.944 . . . . 71.42 109.581 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 14.7 m-85 -104.74 126.91 52.29 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 107.274 -1.38 . . . . 73.32 107.274 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.3 mm -101.82 128.37 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.119 -0.697 . . . . 53.42 109.119 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 HG23 ' A' ' 65' ' ' ILE . 37.5 mt -100.23 107.4 19.22 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.238 -0.653 . . . . 71.42 109.238 169.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -86.77 128.19 35.02 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.104 -0.953 . . . . 55.34 109.205 -174.796 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -130.62 121.32 25.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.763 0.825 . . . . 62.34 109.415 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.609 ' H ' HD12 ' A' ' 42' ' ' LEU . 23.1 t70 -135.27 165.41 25.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.152 0.981 . . . . 73.12 108.885 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.548 ' HE3' ' N ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -70.91 -20.54 62.47 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.065 0.546 . . . . 63.32 110.979 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.4 122.15 32.83 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.085 0.954 . . . . 51.3 108.84 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.74 -31.56 62.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.847 1.259 . . . . 72.45 113.975 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -80.92 -36.67 30.79 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 117.723 0.238 . . . . 72.02 110.641 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -65.58 -41.2 93.13 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.514 0.673 . . . . 62.52 110.05 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.2 tt -52.62 -45.62 66.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.551 1.54 . . . . 74.25 110.478 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.52 -31.93 65.73 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.518 1.127 . . . . 74.22 112.519 -172.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 52.9 mt-10 -64.28 -41.65 96.79 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.189 0.519 . . . . 74.44 109.822 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.77 -32.86 73.73 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.053 -0.976 . . . . 71.53 111.052 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.521 HG23 ' HB ' ' A' ' 56' ' ' VAL . 37.9 mt -58.73 -42.02 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 N-CA-C 109.531 -0.544 . . . . 53.21 109.531 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.74 -38.66 87.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.011 0.524 . . . . 65.52 111.145 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 10.8 mmpt? -60.03 -46.39 89.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.433 0.693 . . . . 72.53 111.556 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' A' ' 56' ' ' VAL . 81.4 mt -79.67 -31.74 41.43 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.292 -0.867 . . . . 61.13 111.793 -174.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -65.91 -38.08 87.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.925 0.49 . . . . 64.11 110.644 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -61.26 -33.33 73.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.351 0.66 . . . . 64.25 111.299 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' OE1' HD23 ' A' ' 49' ' ' LEU . 56.0 mt-30 -79.97 -11.26 59.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.885 0.874 . . . . 72.32 111.902 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.01 27.16 10.48 Favored Glycine 0 C--N 1.348 1.23 0 N-CA-C 113.896 0.318 . . . . 75.13 113.896 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -100.23 138.51 37.19 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.995 -0.743 . . . . 52.13 108.995 175.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -81.55 90.73 6.28 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.31 -0.626 . . . . 70.03 109.31 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.705 HG21 ' HB2' ' A' ' 49' ' ' LEU . 10.2 t -97.81 134.26 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.673 -0.694 . . . . 74.44 109.711 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.67 155.5 44.92 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.443 0.697 . . . . 75.31 110.502 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 42' ' ' LEU . 10.0 tmtt? -93.06 132.54 37.07 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.456 -1.247 . . . . 74.21 108.177 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 m -123.38 150.04 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.037 0.935 . . . . 74.01 109.499 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -78.52 -32.89 48.28 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.592 0.357 . . . . 74.3 110.601 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -170.6 -172.98 1.31 Allowed 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.822 0.701 . . . . 72.33 110.631 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.98 -35.8 66.96 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.377 1.071 . . . . 75.44 112.43 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.1 -32.67 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.296 0.638 . . . . 74.54 111.262 171.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.79 -35.37 64.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.733 0.813 . . . . 73.32 111.086 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 HD12 ' A' ' 33' ' ' LEU . 70.7 mt -58.88 -45.61 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 124.05 0.844 . . . . 73.12 112.492 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.18 -45.5 87.4 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.047 0.385 . . . . 64.02 111.012 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -61.76 -34.01 75.1 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.381 -0.827 . . . . 60.3 111.58 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 29.2 t90 -67.33 -45.26 76.96 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.547 0.739 . . . . 71.54 110.445 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.479 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -69.12 -40.46 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 122.505 0.322 . . . . 73.44 110.17 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.08 -40.19 94.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.448 0.699 . . . . 74.24 111.528 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.9 ptpt -72.32 -31.98 66.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 119.124 -0.465 . . . . 72.54 111.336 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 68' ' ' TRP . 34.2 mm -68.42 -39.53 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.612 0.365 . . . . 74.1 110.774 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.79 -27.81 67.88 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.429 -0.351 . . . . 62.32 110.942 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HB2' ' NZ ' ' A' ' 74' ' ' LYS . 4.3 ttmp? -83.88 -38.72 20.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.806 0.842 . . . . 62.43 111.549 -176.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 22.1 mm-40 -78.57 -38.6 39.79 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.1 0.56 . . . . 73.34 109.897 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.597 ' HE ' HD21 ' A' ' 79' ' ' LEU . 66.8 mtp85 -123.08 83.95 51.07 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.457 1.103 . . . . 64.43 108.776 -176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.78 4.05 6.77 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.986 2.457 . . . . 73.31 113.725 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -101.26 20.21 16.22 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.198 0.599 . . . . 64.21 111.018 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.597 HD21 ' HE ' ' A' ' 76' ' ' ARG . 2.7 pp -142.45 157.74 44.44 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.159 0.584 . . . . 73.22 111.66 170.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HG3' ' A' ' 4' ' ' LYS . 2.5 pm0 -102.65 148.48 25.52 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.804 1.242 . . . . 73.22 109.059 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 5' ' ' ILE . 39.4 t -124.46 128.5 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.166 0.586 . . . . 74.44 110.723 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -111.94 139.28 47.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.431 1.092 . . . . 70.33 109.109 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.479 ' HG2' HG12 ' A' ' 69' ' ' ILE . 41.5 mtmt -98.89 131.13 45.22 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.698 -0.852 . . . . 73.13 108.698 172.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 93' ' ' ILE . 75.1 t -122.69 101.75 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.15 0.98 . . . . 64.44 109.957 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.9 p -85.83 -54.93 4.22 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.333 0.253 . . . . 71.42 110.368 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.54 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 12.1 m-20 -87.32 151.65 22.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.485 0.714 . . . . 62.43 110.219 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -64.48 -28.45 69.67 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.905 0.482 . . . . 74.43 110.089 171.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -57.07 -38.16 72.91 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.251 1.42 . . . . 73.45 111.26 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 13.0 mm100 -74.33 -31.34 62.41 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.472 -0.785 . . . . 60.24 110.742 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.47 66.81 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.155 0.582 . . . . 73.15 111.582 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 29.4 mtpp -75.74 -32.48 60.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.498 0.719 . . . . 70.13 110.208 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.69 -52.19 27.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.937 0.895 . . . . 73.35 111.277 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.586 HD13 HG21 ' A' ' 84' ' ' VAL . 30.0 pt -60.3 -25.81 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 112.841 0.682 . . . . 63.43 112.841 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 82.1 mt -53.88 -42.74 68.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.31 0.244 . . . . 71.13 110.827 170.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.46 -24.88 27.22 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.939 0.895 . . . . 74.32 112.144 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -77.72 -30.94 51.97 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.432 0.693 . . . . 64.11 111.297 -170.44 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.28 -18.72 60.0 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.833 0.453 . . . . 75.25 110.194 171.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.2 mmmt . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 122.676 0.391 . . . . 63.24 110.685 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.562 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 12.8 ttmm . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.86 -0.422 . . . . 65.41 109.86 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 72' ' ' ILE . 45.4 pt -136.32 146.61 28.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.646 -1.242 . . . . 71.24 107.646 163.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 mm -115.12 138.56 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.682 -1.229 . . . . 72.2 107.682 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 91.9 t -117.57 116.26 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.299 -1.371 . . . . 72.53 107.299 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 20' ' ' ALA . 44.2 mt -107.53 127.42 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.259 -0.645 . . . . 52.12 109.259 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -92.46 93.49 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 106.124 -1.806 . . . . 61.45 106.124 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -88.55 104.74 17.11 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.89 -1.05 . . . . 52.01 110.098 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.474 ' OG ' ' HD3' ' A' ' 35' ' ' LYS . 13.6 m -125.45 106.46 9.81 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.364 -0.835 . . . . 55.52 109.076 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 74.17 -68.76 0.21 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.34 1.456 . . . . 71.23 111.653 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.73 149.62 39.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.14 0.976 . . . . 53.45 112.942 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -103.54 -23.68 13.48 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 124.839 1.256 . . . . 74.41 112.228 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -62.56 -26.6 68.66 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.3 0.64 . . . . 73.45 111.5 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.12 -45.32 87.48 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.279 1.032 . . . . 64.3 110.694 173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -79.34 -29.2 42.17 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.392 -1.276 . . . . 75.12 110.206 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.42 -49.47 71.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.558 1.143 . . . . 72.24 109.026 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 HD11 ' A' ' 94' ' ' LEU . 94.1 mt -67.19 -29.44 69.12 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.654 -1.157 . . . . 72.01 111.421 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.04 -37.44 61.57 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.92 0.888 . . . . 53.11 112.54 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.9 -38.18 89.92 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.177 0.991 . . . . 73.53 111.254 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -40.0 63.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.789 0.835 . . . . 74.25 110.493 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.78 -57.26 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 122.841 0.456 . . . . 71.13 110.259 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.8 ptpt -65.82 -18.67 65.49 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.041 0.756 . . . . 75.51 113.041 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.65 -22.36 45.25 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 74.31 112.175 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 97' ' ' LEU . 30.5 mm-40 -69.97 -23.09 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.264 0.626 . . . . 73.44 112.388 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.68 37.78 0.88 Allowed Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.441 -0.345 . . . . 21.34 112.64 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.47 177.24 7.13 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.466 0.706 . . . . 55.25 110.235 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -101.81 150.84 22.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.459 0.704 . . . . 74.3 110.421 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 24' ' ' LYS . 85.8 t -121.95 132.15 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.558 0.743 . . . . 71.34 109.939 173.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 73.2 m-85 -107.3 114.2 28.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.527 1.131 . . . . 72.35 108.526 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 HD13 ' A' ' 49' ' ' LEU . 44.4 mm -92.62 121.55 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.752 -0.832 . . . . 74.11 108.752 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 HG11 ' A' ' 59' ' ' VAL . 54.6 mt -101.12 103.16 14.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.474 -0.936 . . . . 73.2 108.474 175.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.25 118.66 28.0 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 106.593 -1.632 . . . . 64.31 106.593 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.626 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 8.6 mtpm? -101.09 113.43 26.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.761 -0.829 . . . . 62.04 108.761 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -140.55 162.26 35.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.201 0.6 . . . . 74.42 109.541 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -102.04 -6.52 23.27 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.319 0.648 . . . . 74.34 111.525 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.39 178.69 4.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.803 0.841 . . . . 65.05 109.853 -173.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.17 6.81 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.796 0.438 . . . . 74.14 111.802 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.11 -59.61 2.91 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.866 0.466 . . . . 71.14 111.497 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -67.48 -42.53 82.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.143 0.977 . . . . 63.11 110.707 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -49.9 -58.3 5.71 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.256 0.973 . . . . 72.43 112.073 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 43.2 tt0 -66.45 -32.65 74.15 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.674 0.609 . . . . 71.43 111.012 -172.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 38.6 mm-40 -61.47 -57.01 13.87 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.207 -0.664 . . . . 75.35 109.207 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -54.4 -45.78 72.99 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.534 1.146 . . . . 73.31 111.995 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 56' ' ' VAL . 51.0 mt -54.74 -50.61 59.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 O-C-N 124.2 0.938 . . . . 72.4 110.501 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.1 mm100 -68.26 -29.5 68.31 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.343 0.497 . . . . 74.51 112.343 -176.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 68.8 mmtt -66.54 -42.51 87.05 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.451 0.643 . . . . 73.32 109.868 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.63 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.0 mt -72.71 -39.5 66.92 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.977 -1.01 . . . . 74.35 111.421 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.53 -32.62 74.09 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.851 0.46 . . . . 71.22 110.918 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 t -59.48 -35.67 74.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.518 0.727 . . . . 51.44 111.24 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -75.98 -14.53 60.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.553 0.741 . . . . 74.12 111.456 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.68 1.55 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 112.021 -0.431 . . . . 63.23 112.021 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.3 141.24 52.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.783 0.833 . . . . 72.43 109.982 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -80.97 85.52 6.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.327 0.651 . . . . 64.23 109.285 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG21 ' HB2' ' A' ' 49' ' ' LEU . 13.6 t -95.84 134.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.173 0.589 . . . . 73.35 110.246 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.493 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 85.0 mmt-85 -130.99 166.46 20.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.958 0.903 . . . . 62.04 110.527 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -99.1 127.57 45.08 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.391 -1.277 . . . . 63.04 108.39 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 33' ' ' LEU . 13.0 m -128.61 157.42 41.21 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 C-N-CA 123.907 0.883 . . . . 52.33 108.738 171.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -82.06 -70.82 0.52 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.194 -0.669 . . . . 72.22 109.194 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.626 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 4.1 t70 -142.19 -174.35 4.08 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.588 -0.733 . . . . 72.33 109.912 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HA ' HD12 ' A' ' 65' ' ' ILE . 35.0 t70 -72.37 -21.22 61.33 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.765 0.426 . . . . 75.24 111.735 -169.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.98 -45.39 90.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.487 0.715 . . . . 73.12 110.533 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.55 -35.28 75.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.397 1.079 . . . . 71.11 110.819 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG22 ' HD2' ' A' ' 83' ' ' LYS . 84.5 mt -63.99 -41.73 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 114.634 -1.166 . . . . 71.32 111.443 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.66 -40.66 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 117.941 0.337 . . . . 64.13 111.221 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -69.76 -34.92 74.44 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.965 0.791 . . . . 71.45 110.709 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 50.2 t90 -69.56 -33.63 73.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.221 -0.9 . . . . 75.11 110.56 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -78.97 -37.53 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.403 0.681 . . . . 73.15 109.817 173.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.76 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 32.9 t70 -59.7 -41.51 90.93 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.971 -1.013 . . . . 63.14 111.539 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.68 -40.83 98.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.68 -0.691 . . . . 73.4 111.051 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 5' ' ' ILE . 60.0 mt -67.11 -32.08 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.088 0.555 . . . . 71.32 110.512 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 46.9 mtmt -60.04 -38.28 82.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.155 -0.475 . . . . 70.34 111.256 174.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.59 -48.41 12.73 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.184 0.594 . . . . 73.33 110.956 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -66.0 -44.61 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.259 -0.882 . . . . 54.52 111.054 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -125.7 71.63 67.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 114.902 -1.044 . . . . 72.51 109.17 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.0 17.41 1.55 Allowed 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.826 2.351 . . . . 52.52 112.869 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -103.39 0.72 31.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.297 1.039 . . . . 52.15 111.198 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.77 169.96 15.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.234 0.613 . . . . 62.33 111.259 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.562 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 6.1 pt-20 -114.9 137.42 51.99 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.342 1.057 . . . . 74.42 108.859 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -120.69 130.33 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.529 0.732 . . . . 63.31 109.378 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -127.03 125.44 41.41 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.056 0.542 . . . . 60.4 110.634 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 65' ' ' ILE . 37.1 mtmt -76.58 132.26 39.38 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.508 0.723 . . . . 74.42 110.235 171.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 89' ' ' GLN . 66.6 t -123.65 91.58 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.047 -1.094 . . . . 61.44 108.047 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.715 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 55.5 p -82.17 -41.18 20.71 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.356 0.598 . . . . 65.31 110.219 -178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.46 156.83 18.54 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.282 -0.872 . . . . 72.13 110.449 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.25 -39.38 86.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.447 1.099 . . . . 71.11 111.687 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.42 -30.12 66.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.944 0.898 . . . . 74.31 111.471 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.575 ' HB2' HG13 ' A' ' 84' ' ' VAL . 9.7 mm100 -71.98 -39.59 69.2 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.31 110.276 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.69 -37.18 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.518 0.727 . . . . 34.11 111.396 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 94' ' ' LEU . 56.1 mtpt -75.04 -29.53 60.79 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.65 0.78 . . . . 72.23 110.278 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.55 -46.48 54.25 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.349 0.659 . . . . 71.53 110.958 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 97' ' ' LEU . 32.1 pt -66.17 -23.79 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 116.417 -0.356 . . . . 53.02 111.525 176.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD22 ' A' ' 19' ' ' LEU . 86.7 mt -64.55 -44.93 89.22 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 117.852 0.296 . . . . 74.24 110.333 168.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -63.89 -30.06 71.18 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.746 0.418 . . . . 74.42 111.146 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 35.8 t70 -82.05 -32.54 30.35 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.502 -0.772 . . . . 73.12 111.145 -173.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 93' ' ' ILE . 5.8 mp -75.34 -29.33 59.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.348 0.659 . . . . 52.51 110.703 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 C-N-CA 122.714 0.406 . . . . 74.43 111.651 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 38.1 ttmt . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 108.547 -0.908 . . . . 74.32 108.547 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD13 ' A' ' 79' ' ' LEU . 40.2 pt -98.86 143.09 13.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.549 -0.908 . . . . 74.0 108.549 167.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 93' ' ' ILE . 34.9 mm -113.72 136.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.944 -1.502 . . . . 61.54 106.944 169.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 69' ' ' ILE . 49.4 t -111.11 104.71 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.344 -1.354 . . . . 73.21 107.344 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 20' ' ' ALA . 46.6 mt -104.85 125.27 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.201 -0.666 . . . . 71.4 109.201 -172.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 65' ' ' ILE . 3.0 mp -94.87 93.14 3.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 106.511 -1.663 . . . . 74.33 106.511 -176.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -86.14 103.76 15.09 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.089 -1.078 . . . . 65.11 108.089 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 15.4 p -131.65 123.44 27.81 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.768 -1.105 . . . . 71.02 108.846 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 77.17 -54.66 0.55 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.802 1.641 . . . . 50.44 112.836 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.88 157.48 17.73 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.994 0.917 . . . . 70.44 111.214 -173.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -107.13 -13.42 15.17 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.992 1.317 . . . . 54.15 112.945 -169.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -60.17 -30.95 69.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.851 -0.531 . . . . 74.11 111.021 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 16' ' ' LEU . 6.1 mp -61.67 -38.98 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.718 0.807 . . . . 71.01 110.665 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -69.33 -39.41 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.401 1.08 . . . . 73.22 110.331 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -68.47 -39.03 81.54 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.764 0.826 . . . . 72.02 111.316 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD22 HD11 ' A' ' 94' ' ' LEU . 96.2 mt -70.6 -38.53 73.99 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.489 0.716 . . . . 74.04 110.271 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -51.47 -38.15 52.45 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.497 1.119 . . . . 53.53 112.47 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.74 -33.51 75.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.328 1.051 . . . . 72.04 111.125 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -75.99 -36.3 59.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.335 0.654 . . . . 72.53 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 HD21 ' A' ' 97' ' ' LEU . 2.0 mp -63.9 -55.04 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 122.774 0.43 . . . . 64.32 110.674 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -68.6 -18.87 64.41 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.197 0.443 . . . . 63.44 112.197 -176.566 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.93 -24.79 64.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.872 0.869 . . . . 73.34 111.711 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 75.1 mm-40 -69.91 1.28 4.63 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.802 0.841 . . . . 75.34 112.953 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.48 7.38 55.86 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.212 -0.755 . . . . 54.23 111.212 -172.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 8.9 mt -94.12 175.48 6.69 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.919 0.887 . . . . 74.14 109.682 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -122.73 153.08 39.94 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.984 -0.447 . . . . 74.31 110.276 161.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 24' ' ' LYS . 94.5 t -115.93 139.75 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.639 1.176 . . . . 65.55 109.19 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 91.5 m-85 -107.68 112.35 25.0 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 107.315 -1.365 . . . . 63.53 107.315 171.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.1 mm -87.23 121.68 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 108.515 -0.92 . . . . 62.52 108.515 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD13 HG11 ' A' ' 59' ' ' VAL . 35.3 mt -96.18 101.97 13.69 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.575 -0.898 . . . . 75.24 108.575 171.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.13 121.04 29.04 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.199 -1.364 . . . . 62.21 108.433 -173.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 65' ' ' ILE . 15.8 ptpt -127.91 119.6 25.9 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.733 0.813 . . . . 64.02 108.819 176.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 42' ' ' LEU . 7.2 t70 -135.77 166.41 23.34 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 107.574 -1.269 . . . . 70.03 107.574 176.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -84.22 -9.5 58.47 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.07 0.548 . . . . 74.41 111.245 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -129.03 108.02 10.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.594 1.158 . . . . 70.32 109.678 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.1 -27.8 64.02 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.343 1.238 . . . . 74.02 114.343 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.86 -59.81 4.07 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.723 -0.473 . . . . 71.41 109.723 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -76.07 -23.74 55.04 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.307 -0.406 . . . . 73.35 110.959 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 34' ' ' LEU . 6.7 tt -53.91 -56.27 19.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.83 0.852 . . . . 71.31 109.446 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.87 -18.54 53.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.947 -1.024 . . . . 74.4 111.354 -173.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.79 -47.29 84.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.659 -0.867 . . . . 75.21 108.659 167.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.39 -31.95 72.53 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 123.97 0.794 . . . . 74.12 111.027 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' HB ' ' A' ' 56' ' ' VAL . 35.9 mt -57.56 -48.23 83.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 109.919 -0.401 . . . . 60.43 109.919 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.05 -32.24 68.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.752 -0.658 . . . . 73.13 111.474 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 10.9 mmpt? -63.73 -53.78 45.66 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.274 0.359 . . . . 75.55 110.508 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.546 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.0 mt -62.14 -38.93 90.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.986 0.915 . . . . 64.31 111.808 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -68.37 -30.74 69.75 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 122.497 -0.127 . . . . 75.31 111.136 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -70.06 -32.54 70.69 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.863 0.465 . . . . 75.3 111.091 172.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -72.89 -17.58 61.5 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.0 0.92 . . . . 74.54 111.015 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 66.31 0.76 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 111.247 -0.741 . . . . 63.23 111.247 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -141.19 167.59 21.82 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.329 1.052 . . . . 73.14 108.505 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -109.3 121.26 44.78 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.07 -1.826 . . . . 63.53 106.07 164.757 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.553 ' HB ' HG23 ' A' ' 46' ' ' ILE . 19.9 t -126.47 143.84 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.91 -0.404 . . . . 74.44 109.91 -173.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.42 144.56 44.55 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.307 0.643 . . . . 73.42 109.73 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -79.39 129.0 34.05 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.457 -0.942 . . . . 72.04 108.457 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 HD13 ' A' ' 33' ' ' LEU . 8.3 m -125.52 157.27 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.612 0.765 . . . . 75.34 110.374 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.49 -73.5 0.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.038 -0.983 . . . . 72.12 110.225 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.77 163.51 12.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.897 -0.779 . . . . 74.2 108.897 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.44 -35.39 70.9 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.852 0.461 . . . . 71.34 110.998 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.13 -40.89 62.01 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.076 0.95 . . . . 73.05 111.45 165.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.42 -36.85 71.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.963 0.905 . . . . 61.14 110.249 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 ' HE3' ' A' ' 35' ' ' LYS . 63.4 mt -61.77 -51.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.896 0.878 . . . . 71.34 111.189 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.99 -36.08 83.24 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.195 0.598 . . . . 61.45 110.63 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -30.54 67.95 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.758 -1.11 . . . . 72.12 110.185 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' CZ3' HD11 ' A' ' 72' ' ' ILE . 5.7 t90 -65.34 -31.48 72.63 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.923 0.889 . . . . 75.32 110.657 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -83.23 -34.65 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.082 0.553 . . . . 54.23 109.623 176.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.698 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 31.5 t70 -57.0 -42.22 79.89 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.792 -0.64 . . . . 71.43 110.897 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -74.37 -27.46 60.67 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.574 -0.727 . . . . 55.34 111.81 177.686 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' A' ' 68' ' ' TRP . 75.2 mt -59.94 -40.24 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 118.451 0.569 . . . . 75.3 109.722 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 50.7 mtmt -64.69 -17.26 63.93 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.129 -0.487 . . . . 75.13 111.502 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -92.23 -45.67 8.12 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.499 0.719 . . . . 73.01 111.464 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 21.2 mm-40 -73.37 -52.5 13.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.513 0.725 . . . . 65.4 111.502 -171.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -140.75 76.83 22.94 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.232 1.013 . . . . 64.11 110.375 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -91.85 15.18 1.68 Allowed 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.593 2.195 . . . . 74.35 113.907 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -92.28 12.5 22.24 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.999 0.519 . . . . 72.43 111.409 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -140.11 155.94 46.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.769 1.228 . . . . 75.2 109.662 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -78.31 145.38 35.38 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.829 0.452 . . . . 74.14 110.415 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -128.85 122.15 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.337 0.655 . . . . 75.04 109.766 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -127.26 137.92 52.97 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.787 0.835 . . . . 73.44 109.108 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -99.01 133.98 42.51 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.549 -0.537 . . . . 74.34 109.549 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 93' ' ' ILE . 46.2 t -125.29 96.01 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.475 1.11 . . . . 71.13 109.832 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.6 p -85.71 -37.56 19.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.185 0.594 . . . . 74.22 110.833 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.426 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 4.7 m-20 -97.17 151.8 19.45 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 61.33 110.687 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 20.3 tt0 -59.88 -39.43 85.27 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.912 0.758 . . . . 74.31 110.642 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -54.78 -34.39 62.6 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.663 1.185 . . . . 63.14 111.64 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 84' ' ' VAL . 82.0 mt-30 -76.74 -30.61 56.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.159 -0.928 . . . . 72.44 110.33 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -72.76 -25.49 61.2 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.499 0.72 . . . . 32.03 111.685 173.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 20.5 mtpp -78.99 -34.43 44.13 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.582 0.753 . . . . 70.22 109.816 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -72.48 -39.89 67.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.72 0.808 . . . . 73.32 111.294 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 84' ' ' VAL . 20.0 pt -64.47 -28.41 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 112.589 0.588 . . . . 63.25 112.589 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 19' ' ' LEU . 81.1 mt -52.64 -33.03 44.95 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.65 0.38 . . . . 74.34 110.962 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.95 -52.22 7.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.274 0.63 . . . . 71.34 110.939 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t70 -41.9 -45.34 3.69 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 125.657 1.583 . . . . 71.44 114.177 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.522 HD21 HG23 ' A' ' 23' ' ' ILE . 5.6 mp -55.88 -37.46 68.87 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.652 1.181 . . . . 74.24 111.61 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 114.206 -1.361 . . . . 63.01 110.595 -176.692 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 75.45 110.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.558 HG23 HD22 ' A' ' 79' ' ' LEU . 39.0 pt -136.52 156.95 36.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 125.066 1.346 . . . . 74.13 107.574 167.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 HG21 HD12 ' A' ' 93' ' ' ILE . 50.0 mm -120.6 137.36 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.039 -0.726 . . . . 74.25 109.039 176.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 69' ' ' ILE . 60.2 t -115.95 114.8 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.143 -1.058 . . . . 61.03 108.143 176.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.581 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 37.6 mt -110.57 120.24 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 72.45 110.869 -171.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.06 95.81 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 106.761 -1.57 . . . . 74.15 106.761 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.414 ' HB3' HD22 ' A' ' 34' ' ' LEU . 45.4 t -89.71 107.6 19.19 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.356 0.662 . . . . 64.42 110.824 -171.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 p -140.71 150.82 43.94 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.445 1.098 . . . . 74.33 109.428 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 67.62 -76.3 0.05 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.784 1.633 . . . . 73.35 111.839 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -83.76 132.03 34.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.033 0.533 . . . . 43.41 110.717 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -76.94 -11.53 59.82 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.93 -0.577 . . . . 70.1 109.896 169.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 m -52.12 -35.09 47.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.697 1.199 . . . . 65.0 112.371 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.01 -35.79 80.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.017 0.527 . . . . 73.15 110.68 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' HD21 ' A' ' 49' ' ' LEU . 40.5 mt-10 -68.6 -39.71 80.75 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.909 0.884 . . . . 54.21 110.028 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.14 -50.74 37.49 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.409 -0.814 . . . . 64.23 110.955 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -56.61 -39.74 74.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.336 1.054 . . . . 72.44 110.861 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.6 -32.87 8.81 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.292 1.437 . . . . 73.01 113.202 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -63.49 -49.54 73.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.091 0.956 . . . . 74.23 111.0 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 70.0 mmtt -70.21 -25.87 63.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.27 0.47 . . . . 63.51 112.27 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 97' ' ' LEU . 2.1 mp -62.5 -61.92 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.212 -0.662 . . . . 75.12 109.212 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.4 ptpt -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.134 0.79 . . . . 65.14 113.134 -173.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.33 -25.87 50.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.372 1.069 . . . . 72.05 111.653 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -68.96 -18.69 64.11 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.287 0.635 . . . . 72.11 112.181 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -16.1 6.78 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 122.928 0.299 . . . . 71.51 113.288 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -82.41 166.47 19.37 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.713 0.805 . . . . 74.21 111.237 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -97.73 148.89 22.89 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.975 0.91 . . . . 74.0 110.192 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 86.0 t -121.16 132.04 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.055 0.942 . . . . 73.24 110.097 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -104.67 129.45 52.84 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.772 -1.566 . . . . 72.3 106.772 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HB ' HG22 ' A' ' 56' ' ' VAL . 30.0 mm -108.8 116.62 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 118.765 0.711 . . . . 74.23 109.503 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HG11 ' A' ' 59' ' ' VAL . 39.0 mt -89.08 105.49 17.82 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.035 -0.728 . . . . 75.35 109.035 172.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -90.79 126.58 36.06 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.802 -1.09 . . . . 75.31 108.923 -174.333 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -131.56 120.13 22.47 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.75 0.82 . . . . 75.41 109.253 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' H ' HD12 ' A' ' 42' ' ' LEU . 16.3 t70 -134.28 157.38 46.47 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.226 -1.027 . . . . 74.42 108.226 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -82.81 -4.99 58.74 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.692 0.397 . . . . 64.12 111.607 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.07 109.56 12.53 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.421 -1.326 . . . . 54.33 107.421 169.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.53 -26.51 21.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.834 1.254 . . . . 74.41 114.283 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -41.38 34.24 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.703 0.401 . . . . 65.22 109.973 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -68.75 -32.47 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.221 -0.659 . . . . 71.21 109.221 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 36' ' ' ASP . 5.7 tt -60.08 -51.53 69.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.584 1.154 . . . . 73.03 109.329 168.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.79 -42.55 99.15 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.226 1.011 . . . . 72.51 111.96 -170.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 9.3 pt-20 -72.8 -38.76 67.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.884 -0.598 . . . . 63.31 110.0 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -56.53 -40.11 74.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.011 0.924 . . . . 70.44 110.817 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.515 HG23 ' HB ' ' A' ' 56' ' ' VAL . 78.4 mt -51.49 -52.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.219 0.95 . . . . 73.0 109.661 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.87 -27.01 65.42 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.631 0.772 . . . . 72.04 112.104 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 31.5 mmtp -66.12 -49.86 66.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.196 -0.668 . . . . 73.11 109.196 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB2' HG21 ' A' ' 56' ' ' VAL . 82.5 mt -70.25 -37.72 74.98 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.578 -1.192 . . . . 30.42 111.697 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 46.9 mtpt -71.02 -28.68 64.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.531 0.333 . . . . 74.21 111.158 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -63.55 -37.36 87.02 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.88 0.472 . . . . 71.23 110.724 171.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -76.29 -23.14 54.37 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.705 -0.68 . . . . 62.45 110.876 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 84.36 1.79 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.93 -0.868 . . . . 63.01 110.93 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 69.3 m-85 -150.44 139.56 21.13 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 125.054 1.342 . . . . 71.21 107.501 172.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -81.61 74.74 8.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.835 0.826 . . . . 73.1 110.636 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -87.54 130.76 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.221 -0.9 . . . . 63.42 110.472 -174.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 39.8 mmt180 -126.24 151.92 46.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.489 1.116 . . . . 63.13 109.825 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.41 126.0 36.35 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.66 0.784 . . . . 75.22 109.485 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG11 HD13 ' A' ' 33' ' ' LEU . 12.0 m -116.63 177.82 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.826 0.85 . . . . 64.04 109.817 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.32 -69.47 0.72 Allowed 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.152 0.981 . . . . 65.31 109.102 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -166.94 -169.83 1.4 Allowed 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.919 -0.771 . . . . 71.31 108.919 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.56 -23.98 59.71 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 113.339 0.866 . . . . 72.32 113.339 -166.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.08 -60.4 3.48 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.421 1.076 . . . . 63.14 110.975 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -24.83 58.6 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.788 -0.449 . . . . 73.3 109.788 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.76 -50.14 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.182 0.993 . . . . 64.45 110.964 173.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.97 -32.16 71.72 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.746 0.418 . . . . 72.43 111.281 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -81.43 -24.29 36.97 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.893 0.477 . . . . 53.22 110.966 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.43 ' CZ3' HG13 ' A' ' 72' ' ' ILE . 60.9 t90 -68.09 -42.28 80.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.14 -0.689 . . . . 65.0 109.14 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.508 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.2 mp -73.85 -34.4 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 116.114 -0.493 . . . . 73.21 110.174 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.54 -45.62 73.45 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.267 0.627 . . . . 64.11 111.114 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 5.1 ptpp? -78.34 -33.44 49.13 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.997 -0.525 . . . . 43.24 111.739 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.43 HG13 ' CZ3' ' A' ' 68' ' ' TRP . 14.8 mm -63.48 -38.59 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-N 118.49 0.586 . . . . 42.45 111.245 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -68.97 -28.26 66.46 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.451 0.469 . . . . 61.24 110.737 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -82.1 -30.25 31.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.972 0.909 . . . . 72.45 111.296 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 9.2 mm-40 -87.92 -40.46 13.93 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.48 0.657 . . . . 64.33 109.788 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -125.24 78.08 67.39 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.574 1.15 . . . . 74.23 108.656 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -89.08 1.37 6.04 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.192 2.594 . . . . 74.22 115.012 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -89.71 13.05 15.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.111 0.782 . . . . 75.1 113.111 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.558 HD22 HG23 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -149.65 164.72 34.4 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.521 0.728 . . . . 55.24 111.322 -175.647 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.23 152.17 34.83 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.934 -0.765 . . . . 52.33 108.934 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.84 123.21 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.479 -0.934 . . . . 62.31 108.479 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -118.5 132.18 56.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.98 0.912 . . . . 65.44 109.718 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.9 mtmm -91.72 119.91 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.993 -0.743 . . . . 74.22 108.993 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 55.6 t -106.16 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.466 -0.938 . . . . 64.14 108.466 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -88.99 -18.94 26.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.617 -0.719 . . . . 64.4 110.535 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.19 152.08 35.55 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.518 1.127 . . . . 72.22 110.144 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.43 -34.81 72.96 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.859 0.864 . . . . 73.14 110.79 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.53 -40.76 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.719 1.208 . . . . 75.45 111.71 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.1 mm100 -63.45 -41.79 98.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.572 0.545 . . . . 72.33 109.862 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.57 68.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.794 0.838 . . . . 63.35 112.441 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.58 -35.74 22.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.285 0.634 . . . . 73.13 111.927 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -70.4 -42.27 71.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.433 0.293 . . . . 64.44 111.128 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 18.6 pt -56.66 -29.14 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 112.945 0.72 . . . . 73.42 112.945 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 70.4 mt -48.15 -51.37 25.21 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.33 0.394 . . . . 72.12 110.337 170.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.15 -34.01 63.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.686 0.794 . . . . 64.44 111.117 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.6 t70 -61.98 -31.45 71.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.195 0.998 . . . . 74.12 110.377 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 23' ' ' ILE . 10.3 mp -78.74 -34.19 45.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.961 0.904 . . . . 70.22 111.323 175.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 1.6 mmmp? . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 120.594 0.235 . . . . 74.13 111.434 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.1 ptpt . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 109.507 -0.553 . . . . 73.12 109.507 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.525 HG23 HD22 ' A' ' 79' ' ' LEU . 31.7 pt -125.48 145.37 32.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.739 0.78 . . . . 73.35 109.127 170.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.435 HG13 HG21 ' A' ' 23' ' ' ILE . 44.5 mm -114.5 140.09 37.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.414 -1.328 . . . . 74.12 107.414 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 69' ' ' ILE . 62.0 t -121.34 115.04 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.288 -1.004 . . . . 74.32 108.288 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.0 mt -106.96 129.65 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.044 -0.724 . . . . 74.05 109.044 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.8 mp -95.27 95.3 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 106.287 -1.746 . . . . 73.24 106.287 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -105.26 136.26 45.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.929 0.491 . . . . 55.24 110.943 -171.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -139.23 94.0 2.75 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.089 -0.96 . . . . 71.35 110.47 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 77.41 -51.01 0.54 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.702 1.601 . . . . 63.43 113.843 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HB2' HD13 ' A' ' 16' ' ' LEU . 21.9 m-20 -53.35 115.9 2.15 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.338 1.055 . . . . 62.35 112.384 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -74.64 -17.66 60.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.724 0.809 . . . . 51.31 112.958 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -59.56 -38.73 81.89 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.695 0.798 . . . . 72.13 111.665 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' ASP . 6.3 mp -76.54 -24.06 53.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.458 0.303 . . . . 71.41 110.358 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.66 -47.75 44.89 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.991 0.917 . . . . 65.32 110.788 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.47 -39.09 71.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.061 -0.518 . . . . 52.04 110.987 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.54 -35.0 79.55 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.437 0.461 . . . . 73.33 110.688 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.76 68.47 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.473 0.709 . . . . 75.04 111.621 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -70.95 -33.61 70.65 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.453 -0.794 . . . . 71.41 110.958 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.03 -38.16 66.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.565 0.746 . . . . 52.04 111.338 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.435 HG21 HG13 ' A' ' 6' ' ' ILE . 2.0 mp -67.91 -41.38 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.696 0.399 . . . . 71.41 110.546 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.6 ptpt -73.73 -19.96 60.65 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 121.724 -0.61 . . . . 63.4 112.185 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.14 -20.19 65.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 74.01 111.224 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG3' HD23 ' A' ' 97' ' ' LEU . 20.3 mm-40 -69.14 -15.65 63.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.528 0.731 . . . . 73.31 111.223 174.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.06 20.64 10.99 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 116.626 -0.261 . . . . 73.45 113.056 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 97' ' ' LEU . 4.1 pp -125.89 170.1 11.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.397 0.679 . . . . 63.12 109.926 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -94.35 147.98 22.68 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.128 0.418 . . . . 75.03 112.128 -173.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 24' ' ' LYS . 40.7 t -125.53 133.47 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.892 0.877 . . . . 73.4 109.909 177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 76.2 m-85 -111.71 133.97 53.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.273 -1.38 . . . . 75.3 107.273 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -114.21 123.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 109.118 -0.697 . . . . 74.45 109.118 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD12 HG23 ' A' ' 65' ' ' ILE . 47.8 mt -104.73 112.66 25.84 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.978 -0.749 . . . . 61.2 108.978 176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -97.6 128.18 44.12 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.191 0.996 . . . . 64.54 109.711 -175.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.5 ptmm? -140.27 120.69 14.05 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.57 0.748 . . . . 64.22 109.026 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t70 -132.89 171.36 14.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.383 -0.969 . . . . 72.54 108.383 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -74.02 -30.99 62.73 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.263 0.625 . . . . 53.13 111.414 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -118.62 106.48 12.66 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.672 -0.862 . . . . 72.22 108.672 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 12.8 pt-20 -58.1 -18.63 26.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.071 1.508 . . . . 72.24 115.071 -175.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -74.75 -57.08 4.14 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.773 0.715 . . . . 71.04 110.782 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -66.46 -28.58 68.7 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.771 0.428 . . . . 72.34 110.063 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 34' ' ' LEU . 26.9 tp -55.94 -57.58 11.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.112 1.365 . . . . 75.01 111.611 170.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HG2' HD12 ' A' ' 46' ' ' ILE . 47.7 mt-10 -80.47 -13.78 58.83 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.06 -0.518 . . . . 71.34 112.019 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.6 mm-40 -69.47 -45.47 68.94 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.224 -0.658 . . . . 64.12 109.224 167.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.11 -36.37 77.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.878 0.871 . . . . 75.22 110.354 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 43' ' ' GLU . 46.5 mt -61.19 -43.76 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.562 0.745 . . . . 71.31 110.439 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 25.1 mm-40 -67.57 -35.86 79.81 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.176 0.297 . . . . 64.55 110.97 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 41.7 mmtm -65.3 -42.99 92.52 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.925 0.49 . . . . 71.42 110.044 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.0 -38.14 69.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.876 -1.056 . . . . 63.41 112.085 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -67.64 -33.82 75.72 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.144 -0.347 . . . . 72.54 110.448 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -67.41 -33.41 75.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.118 0.567 . . . . 73.21 111.671 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.79 -10.62 60.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.244 0.617 . . . . 44.33 111.082 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.26 65.0 1.22 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 111.725 -0.55 . . . . 51.33 111.725 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.69 138.25 32.31 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.725 -0.843 . . . . 62.21 108.725 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.73 97.51 5.19 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.915 -1.143 . . . . 62.01 107.915 168.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HB ' HG23 ' A' ' 46' ' ' ILE . 14.3 t -107.47 136.18 43.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.221 -0.9 . . . . 74.14 108.958 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -128.72 144.64 51.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.945 0.898 . . . . 71.1 108.601 -176.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -86.26 129.81 34.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.421 -1.325 . . . . 74.22 107.421 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 35' ' ' LYS . 10.0 m -119.62 157.67 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.421 0.688 . . . . 74.24 109.834 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -78.99 -45.63 19.85 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.943 -1.026 . . . . 71.35 110.399 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.5 176.23 9.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.598 -1.183 . . . . 74.31 108.796 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.9 -24.42 60.84 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.114 0.415 . . . . 71.24 110.208 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.16 -52.5 34.83 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.523 1.129 . . . . 53.01 110.401 163.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.12 -34.24 77.62 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.799 -1.091 . . . . 63.32 110.515 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 33' ' ' LEU . 69.1 mt -64.54 -49.34 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.229 1.012 . . . . 73.21 112.506 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.91 -34.18 76.89 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 121.13 0.49 . . . . 71.5 111.427 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -77.35 -29.53 53.43 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.295 -0.866 . . . . 62.21 110.914 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.9 t90 -64.7 -45.01 88.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.046 0.938 . . . . 75.51 108.919 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -72.54 -32.39 41.4 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 72.05 110.094 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.71 -50.71 67.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.772 0.829 . . . . 73.43 110.629 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -74.35 -28.8 61.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.837 -0.619 . . . . 63.42 111.519 -176.558 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -64.91 -41.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.582 0.353 . . . . 55.25 110.482 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -67.36 -31.1 71.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.307 0.643 . . . . 65.34 111.017 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -74.45 -41.49 60.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.047 0.939 . . . . 72.42 110.469 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.7 mm-40 -70.92 -42.67 69.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.393 0.677 . . . . 54.13 110.18 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.34 88.51 43.92 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.148 0.979 . . . . 73.32 109.858 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -86.06 -2.83 8.81 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 122.846 2.364 . . . . 74.12 113.241 173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -72.73 -0.02 12.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.51 0.559 . . . . 70.4 112.51 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.525 HD22 HG23 ' A' ' 5' ' ' ILE . 1.2 pp -142.16 165.64 26.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.205 1.002 . . . . 61.13 110.79 -175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.68 143.55 27.11 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 108.436 -0.95 . . . . 71.13 108.436 168.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.58 111.74 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.423 -0.954 . . . . 72.22 108.423 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -110.65 114.27 27.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.982 0.913 . . . . 74.31 109.815 -170.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.0 mtmm -76.79 120.55 22.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.27 -0.641 . . . . 75.12 109.27 172.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 93' ' ' ILE . 63.1 t -113.9 90.93 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.711 1.204 . . . . 74.13 108.809 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 45.2 p -84.73 -37.5 20.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.004 -0.544 . . . . 73.51 110.435 -177.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.569 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 5.1 m-20 -98.18 146.97 25.07 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.692 0.797 . . . . 50.13 110.378 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -36.46 70.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.9 1.28 . . . . 73.15 110.703 168.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 4.2 m-20 -52.35 -44.54 65.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.111 -0.949 . . . . 61.15 110.961 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 72.8 mt-30 -65.53 -36.2 83.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.609 0.764 . . . . 73.21 111.111 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.94 -29.92 71.05 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.784 0.677 . . . . 71.42 111.367 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' LEU . 96.3 mttt -82.55 -32.44 28.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.927 -0.579 . . . . 55.55 112.189 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.7 mm100 -68.0 -43.68 78.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.928 0.331 . . . . 54.2 110.889 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 97' ' ' LEU . 16.5 pt -65.13 -28.33 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.544 0.572 . . . . 52.41 112.544 177.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 91' ' ' LYS . 87.4 mt -53.82 -43.96 69.83 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.794 -0.447 . . . . 73.02 109.794 169.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -79.05 -26.96 43.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.996 0.918 . . . . 75.44 111.561 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.47 -42.8 95.69 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.56 0.744 . . . . 73.45 109.975 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 28' ' ' LEU . 6.7 mp -70.21 -25.05 63.23 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.387 -1.279 . . . . 64.42 110.708 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 45.1 mmtm . . . . . 0 N--CA 1.478 0.94 0 C-N-CA 123.192 0.597 . . . . 73.41 110.719 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 28' ' ' LEU . 15.1 ptpt . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 107.968 -1.123 . . . . 74.05 107.968 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 HG23 HD22 ' A' ' 79' ' ' LEU . 38.9 pt -105.5 142.91 17.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 109.326 -0.62 . . . . 73.31 109.326 175.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.51 ' HB ' HG22 ' A' ' 30' ' ' VAL . 45.2 mm -116.0 116.37 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.067 -1.086 . . . . 63.12 108.067 173.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 41.4 t -102.06 109.84 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.472 -0.936 . . . . 73.32 108.472 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.615 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 18.6 mt -102.66 119.99 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.451 0.7 . . . . 73.35 111.164 -172.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG13 HD13 ' A' ' 65' ' ' ILE . 2.7 mp -87.53 89.72 3.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 N-CA-C 106.265 -1.754 . . . . 54.35 106.265 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.49 ' HB3' HD22 ' A' ' 34' ' ' LEU . 39.8 t -88.78 102.8 15.37 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.536 -0.542 . . . . 62.1 109.536 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -94.89 73.53 3.53 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.234 -0.894 . . . . 75.34 109.687 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 74.89 -33.9 0.25 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 125.304 1.442 . . . . 71.21 114.14 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 16' ' ' LEU . 14.8 t70 -75.87 136.19 40.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.151 0.58 . . . . 54.05 111.799 -166.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -84.08 -20.56 32.4 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.187 0.81 . . . . 74.54 113.187 -168.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -59.21 -34.73 72.52 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 122.158 -0.339 . . . . 64.24 111.024 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 13' ' ' ASP . 6.0 mp -70.85 -27.99 64.25 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.169 0.588 . . . . 73.51 110.71 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.44 -44.97 33.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.328 1.051 . . . . 63.45 111.325 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.9 -34.18 62.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.025 -0.534 . . . . 75.22 111.175 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.86 -37.58 84.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.998 0.519 . . . . 43.52 109.917 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.99 -39.27 68.85 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.422 0.689 . . . . 72.22 111.699 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -67.97 -38.48 82.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.339 -0.846 . . . . 75.21 111.185 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.14 -47.02 86.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.685 0.615 . . . . 62.34 109.834 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.47 HG21 HG13 ' A' ' 6' ' ' ILE . 1.9 mp -68.94 -54.05 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 114.824 -1.08 . . . . 73.22 111.673 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.3 ptpt -70.71 -21.89 62.51 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.983 0.735 . . . . 75.0 112.983 -172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.48 -26.7 65.47 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.748 0.655 . . . . 62.32 111.261 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.11 -12.72 61.33 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.68 0.792 . . . . 72.5 112.478 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.24 -0.69 11.54 Favored Glycine 0 N--CA 1.474 1.192 0 N-CA-C 114.375 0.51 . . . . 53.52 114.375 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -100.41 158.51 15.84 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.618 0.709 . . . . 75.32 110.306 179.2 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -84.79 143.02 29.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.885 0.474 . . . . 42.31 111.49 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' A' ' 6' ' ' ILE . 53.5 t -122.44 127.47 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 64.0 109.455 171.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.06 113.13 26.45 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.649 -0.871 . . . . 72.13 108.649 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.447 ' HB ' HG22 ' A' ' 56' ' ' VAL . 35.0 mm -89.55 107.92 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.239 -0.652 . . . . 73.23 109.239 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 65' ' ' ILE . 48.5 mt -89.61 104.15 16.73 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.461 -0.94 . . . . 55.35 108.461 172.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -85.69 124.39 32.16 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.84 -0.8 . . . . 62.0 108.84 -174.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.56 123.43 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.704 -0.85 . . . . 73.11 108.704 168.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.41 166.81 21.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.736 0.815 . . . . 64.51 109.056 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -74.62 -43.72 54.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.866 0.466 . . . . 73.24 110.862 177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.03 152.2 20.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.68 -0.489 . . . . 65.23 109.68 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HG3' ' HG2' ' A' ' 40' ' ' LYS . 10.3 pt-20 -75.63 -45.94 34.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.828 0.851 . . . . 65.33 110.875 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG2' ' HG3' ' A' ' 39' ' ' GLU . 32.4 mmtp -83.19 -36.14 24.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.029 0.532 . . . . 70.23 110.49 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -69.88 -30.44 67.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.901 0.48 . . . . 74.13 110.482 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 34' ' ' LEU . 57.9 tp -56.39 -55.66 30.78 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.88 0.872 . . . . 50.11 110.728 167.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 7.8 tp10 -63.64 -42.32 98.14 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 124.114 0.884 . . . . 73.44 112.402 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.74 -34.02 76.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.019 0.528 . . . . 63.42 111.114 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -65.06 -39.12 92.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.506 0.723 . . . . 70.3 110.21 175.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.476 ' HA ' HG11 ' A' ' 56' ' ' VAL . 93.3 mt -61.49 -45.72 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.112 0.965 . . . . 74.12 110.165 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -61.17 -45.47 94.49 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.277 0.631 . . . . 72.13 110.98 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 7.5 mmpt? -64.28 -47.64 78.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.361 -0.836 . . . . 72.15 111.667 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.556 ' HB2' HG21 ' A' ' 56' ' ' VAL . 87.5 mt -70.06 -34.98 73.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.859 0.464 . . . . 55.21 111.151 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -65.4 -37.66 87.63 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.019 0.372 . . . . 52.23 110.819 173.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -62.04 -33.44 74.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.606 0.762 . . . . 71.42 111.584 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 75.4 mt-30 -75.4 -9.76 58.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.929 0.492 . . . . 73.25 111.349 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.84 21.27 11.33 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 123.315 0.483 . . . . 64.3 113.162 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.36 142.22 28.75 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.456 0.703 . . . . 74.13 110.576 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.91 89.05 6.34 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.273 -1.01 . . . . 64.32 108.273 171.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.9 t -98.55 126.13 51.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 115.289 -0.869 . . . . 75.13 109.58 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.444 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 28.3 mmm180 -120.4 145.03 47.58 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.244 1.017 . . . . 61.24 109.083 -175.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -91.63 120.34 32.32 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.501 -0.926 . . . . 73.33 108.501 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 65' ' ' ILE . 9.5 m -118.64 146.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.17 0.988 . . . . 75.45 109.148 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.46 -41.0 80.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.949 0.5 . . . . 71.43 111.114 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -171.33 173.0 5.01 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.402 0.681 . . . . 45.22 110.328 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.1 p-10 -73.35 -23.76 60.25 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.764 0.826 . . . . 73.2 111.692 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.37 -39.12 75.37 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.605 0.362 . . . . 75.3 111.172 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.6 -36.14 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.405 0.682 . . . . 72.22 111.089 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 9' ' ' ILE . 67.6 mt -55.86 -34.33 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 115.23 -0.895 . . . . 72.21 111.587 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.74 -42.86 79.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.965 0.506 . . . . 74.53 111.87 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -27.32 55.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.805 0.842 . . . . 71.21 110.269 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 30.4 t90 -72.36 -32.82 66.78 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.466 0.706 . . . . 63.33 110.186 -178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.554 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -81.49 -38.45 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 109.685 -0.487 . . . . 73.33 109.685 172.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.589 ' HA ' ' HD3' ' A' ' 73' ' ' LYS . 26.2 t70 -56.06 -39.52 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.807 0.843 . . . . 73.25 111.82 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -64.55 -39.91 94.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.936 -0.574 . . . . 70.43 111.681 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -75.59 -30.51 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 122.651 0.38 . . . . 74.24 110.528 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 70' ' ' ASP . 56.6 mtpt -60.1 -34.58 73.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.462 0.649 . . . . 74.55 110.0 170.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 25.8 ttmt -82.67 -37.19 25.19 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.065 1.346 . . . . 74.5 111.245 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 32.9 mm-40 -78.44 -52.16 8.97 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.048 0.539 . . . . 74.52 110.401 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -126.73 90.03 50.68 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.245 1.018 . . . . 65.32 109.146 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.13 6.98 5.48 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.58 2.187 . . . . 61.32 112.941 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.78 11.77 36.1 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.134 0.974 . . . . 73.41 112.474 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.444 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -130.77 154.3 48.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.253 0.621 . . . . 72.21 110.959 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 35.4 mm-40 -80.11 140.01 36.62 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.198 -0.667 . . . . 72.23 109.198 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 69' ' ' ILE . 13.9 t -127.18 116.02 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.722 -0.844 . . . . 73.24 108.722 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 93' ' ' ILE . 25.0 tpp180 -115.18 125.1 53.01 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.92 -0.77 . . . . 75.42 108.92 175.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.7 122.51 34.32 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.812 -0.81 . . . . 72.23 108.812 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.615 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 56.1 t -96.96 88.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 107.769 -1.197 . . . . 75.03 107.769 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 p -78.55 -27.26 45.86 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.452 -0.795 . . . . 62.43 110.142 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.13 160.18 39.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 55.43 109.759 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.27 -39.14 66.61 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.401 1.08 . . . . 75.21 112.576 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 21.9 t70 -56.18 -38.22 70.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.045 0.938 . . . . 73.33 111.555 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -68.73 -33.23 73.57 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.251 0.62 . . . . 64.44 111.211 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -69.04 -22.64 64.03 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.52 111.774 173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -84.74 -27.7 26.77 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.603 0.761 . . . . 70.42 111.291 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.4 mm-40 -74.57 -37.96 62.81 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.815 0.446 . . . . 74.54 111.803 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 24.3 pt -60.31 -27.42 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.452 0.908 . . . . 63.11 113.452 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.03 -39.83 66.52 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.733 0.413 . . . . 72.43 110.707 166.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 98' ' ' LYS . 49.7 mm-40 -82.1 -26.0 33.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.423 0.689 . . . . 75.14 112.705 175.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -62.41 -40.28 96.01 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 122.855 0.462 . . . . 64.15 110.239 178.363 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 93' ' ' ILE . 9.1 mp -69.24 -39.37 78.54 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.545 -0.752 . . . . 33.34 111.966 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.9 0.333 . . . . 75.02 111.9 -173.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' NZ ' HD13 ' A' ' 28' ' ' LEU . 15.5 ttpp . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 109.584 -0.524 . . . . 72.04 109.584 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.2 pt -121.72 149.54 24.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 123.931 0.892 . . . . 74.53 110.296 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.91 120.31 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.231 -1.026 . . . . 74.04 108.231 173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 90.0 t -101.28 116.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.653 -0.869 . . . . 61.11 108.653 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 23' ' ' ILE . 60.7 mt -109.6 129.39 64.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 123.821 0.848 . . . . 75.35 109.227 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 1.9 mp -87.46 89.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 106.466 -1.679 . . . . 74.42 106.466 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 t -83.19 104.07 13.09 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 114.478 -1.237 . . . . 73.43 109.387 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -97.64 -159.58 0.75 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.537 -1.21 . . . . 72.14 109.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.39 -24.09 67.19 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.657 0.783 . . . . 62.42 111.628 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.75 109.31 4.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.781 0.432 . . . . 64.13 109.847 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.9 m -78.39 -7.24 57.11 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.338 0.655 . . . . 64.24 112.246 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -55.13 -33.24 62.71 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.454 0.645 . . . . 53.12 111.221 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.11 -28.02 66.11 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.373 1.069 . . . . 75.04 110.92 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.68 -40.22 16.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.825 1.25 . . . . 73.35 111.315 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.22 -36.25 61.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.728 0.411 . . . . 65.24 110.84 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 94' ' ' LEU . 87.8 mt -75.57 -23.66 56.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.789 0.436 . . . . 75.35 110.888 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.83 84.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.525 0.73 . . . . 73.35 110.759 172.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -67.76 -27.65 66.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.808 -1.087 . . . . 35.44 111.082 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.71 -42.1 61.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.028 0.531 . . . . 74.42 110.802 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 8' ' ' ILE . 80.2 mt -64.71 -52.29 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.153 0.981 . . . . 74.44 111.845 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -56.23 -24.09 40.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 123.732 0.645 . . . . 54.32 112.468 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.34 -25.0 66.61 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 71.23 112.402 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.56 -14.17 62.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.063 0.545 . . . . 62.23 111.035 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.38 25.88 6.17 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 116.138 -0.483 . . . . 71.02 113.097 171.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -123.65 151.89 42.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.089 0.555 . . . . 74.13 110.674 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -73.98 132.2 42.17 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.268 -0.878 . . . . 72.33 110.178 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.73 131.53 64.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 C-N-CA 123.465 0.706 . . . . 75.34 109.379 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 50.3 m-85 -103.09 132.26 49.48 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 124.069 0.948 . . . . 54.24 108.523 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 56' ' ' VAL . 41.1 mm -114.07 109.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.389 -0.967 . . . . 61.13 108.389 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD22 HG13 ' A' ' 59' ' ' VAL . 19.2 mt -86.45 102.97 14.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.2 -0.667 . . . . 75.52 109.2 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.513 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -84.25 120.49 26.28 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.095 -1.076 . . . . 73.2 108.095 -177.372 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.2 ptmm? -138.98 117.63 12.2 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.193 -1.41 . . . . 62.55 107.193 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.544 ' H ' HD12 ' A' ' 42' ' ' LEU . 27.5 t70 -134.14 164.32 27.61 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.735 0.814 . . . . 75.53 109.371 -172.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -52.1 -55.88 17.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.236 1.414 . . . . 73.13 111.421 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -100.5 153.15 19.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.91 0.884 . . . . 72.35 109.482 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.58 -44.34 28.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.826 0.851 . . . . 75.12 110.483 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.42 -45.63 75.54 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.09 -0.505 . . . . 51.42 109.888 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -53.53 -45.67 69.87 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.023 0.929 . . . . 71.51 111.229 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.5 tt -56.73 -58.12 9.48 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.491 1.119 . . . . 62.12 110.399 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.983 0.913 . . . . 73.0 112.443 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.68 -41.79 62.17 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.88 0.472 . . . . 74.13 110.138 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.72 -31.44 72.37 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.908 0.755 . . . . 64.21 110.368 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 mt -53.82 -55.7 12.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.954 0.784 . . . . 63.05 109.654 170.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.11 -34.87 79.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.376 0.671 . . . . 71.01 112.226 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.14 -36.82 69.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.6 . . . . 75.43 111.304 -176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 56' ' ' VAL . 88.0 mt -77.7 -34.98 52.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.465 0.306 . . . . 53.01 111.018 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 49.1 mtpt -62.95 -30.08 71.3 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.402 0.281 . . . . 73.03 111.398 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 t -58.97 -31.6 68.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.383 0.673 . . . . 71.35 111.568 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -91.03 13.22 17.37 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.447 0.699 . . . . 70.35 111.902 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.11 49.28 8.68 Favored Glycine 0 C--N 1.348 1.206 0 N-CA-C 113.333 0.093 . . . . 71.42 113.333 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.28 139.12 53.19 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.662 -0.866 . . . . 61.05 108.662 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -87.22 88.81 7.79 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.895 -1.15 . . . . 71.44 107.895 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 46' ' ' ILE . 17.0 t -89.51 125.27 42.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 113.993 -1.458 . . . . 53.44 109.311 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.36 149.74 50.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.107 0.963 . . . . 61.11 109.472 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HE2' HD22 ' A' ' 42' ' ' LEU . 38.7 ttmt -87.99 134.99 33.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.289 1.035 . . . . 73.31 109.944 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 33' ' ' LEU . 5.6 m -133.03 165.31 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.915 0.886 . . . . 64.21 108.846 170.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -85.54 -84.43 0.16 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.035 -0.984 . . . . 72.55 110.36 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.62 -177.5 4.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.699 0.8 . . . . 63.13 110.271 -174.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.98 -33.98 72.68 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.501 1.12 . . . . 64.13 112.634 -171.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -64.8 -38.55 91.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.331 0.652 . . . . 54.44 110.438 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.18 -38.78 75.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.199 0.6 . . . . 54.04 110.279 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 90.5 mt -63.78 -56.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.22 1.408 . . . . 65.41 112.408 -175.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.16 -34.63 76.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.23 0.538 . . . . 72.34 110.221 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -69.82 -35.75 75.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.792 -1.095 . . . . 74.53 110.457 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -65.78 -33.88 76.89 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.688 1.195 . . . . 74.23 111.429 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.671 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -74.9 -44.98 44.56 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 C-N-CA 123.269 0.628 . . . . 72.5 109.752 176.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.39 -45.01 89.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.712 -1.131 . . . . 70.25 111.56 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -36.21 80.51 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.434 0.693 . . . . 71.0 112.215 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.94 -41.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.667 0.387 . . . . 63.2 110.309 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -65.54 -20.39 66.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.523 0.514 . . . . 72.24 112.305 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -86.23 -43.49 12.93 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.943 0.497 . . . . 71.53 110.359 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.46 -35.87 80.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.833 0.853 . . . . 63.44 110.853 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -143.52 80.62 12.88 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.17 1.388 . . . . 72.1 108.738 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.65 -3.77 13.27 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.726 2.284 . . . . 72.42 113.639 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -71.61 -21.95 61.77 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.769 0.655 . . . . 72.14 112.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -117.33 145.18 44.2 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.513 0.931 . . . . 74.33 113.513 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -83.89 133.73 34.71 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.52 -1.218 . . . . 64.43 108.975 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.27 132.83 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.146 0.578 . . . . 55.13 109.496 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -126.57 129.21 48.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.855 0.862 . . . . 72.31 108.964 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.671 ' HG2' HG12 ' A' ' 69' ' ' ILE . 32.3 mtmm -85.15 138.74 32.19 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.16 0.584 . . . . 54.23 109.487 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -119.79 90.32 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.316 -0.994 . . . . 71.24 108.316 169.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 p -88.35 -10.48 49.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.912 0.485 . . . . 60.55 111.356 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -142.75 149.39 38.67 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.783 0.833 . . . . 72.12 110.494 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.27 -45.71 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.6 1.56 . . . . 61.21 113.343 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.94 -33.36 66.93 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.783 0.833 . . . . 65.21 111.673 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -69.1 -40.65 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.319 0.648 . . . . 61.41 110.793 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.412 0.685 . . . . 65.41 111.289 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.37 -35.42 61.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.522 0.729 . . . . 75.41 111.041 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -47.77 43.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.07 0.548 . . . . 72.55 109.612 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 30.8 pt -61.8 -23.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.124 0.787 . . . . 54.41 113.124 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 19' ' ' LEU . 88.7 mt -53.79 -38.73 64.8 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.827 0.285 . . . . 64.5 111.549 170.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -83.32 -32.99 26.0 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.629 1.172 . . . . 73.22 110.617 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.9 t70 -66.21 -45.28 81.28 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.415 -1.266 . . . . 72.51 111.899 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.9 -20.09 66.26 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.699 0.8 . . . . 71.41 111.815 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.493 0.664 . . . . 74.14 110.196 176.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.883 -0.414 . . . . 63.04 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.67 102.08 1.85 Allowed Glycine 0 C--N 1.338 0.685 0 N-CA-C 110.337 -1.105 . . . . 65.14 110.337 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -59.43 116.05 3.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.149 0.579 . . . . 65.15 109.999 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.0 ttpt -143.79 152.78 41.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.523 -1.288 . . . . 63.44 107.523 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' HB3' ' A' ' 29' ' ' GLU . 31.0 pt -130.43 148.26 33.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 108.698 -0.853 . . . . 72.14 108.698 169.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 93' ' ' ILE . 40.4 mm -112.19 141.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.373 -1.343 . . . . 71.41 107.373 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 69' ' ' ILE . 93.8 t -115.5 114.18 45.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.468 -1.308 . . . . 74.33 107.468 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 46.2 mt -109.07 126.22 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 N-CA-C 108.458 -0.942 . . . . 70.21 108.458 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -100.8 103.31 14.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.889 -1.523 . . . . 62.44 106.889 -173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -72.95 131.06 41.71 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.726 -0.842 . . . . 64.23 108.726 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -138.37 79.69 1.75 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.673 -0.862 . . . . 73.32 108.673 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 76.3 -62.39 0.42 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.045 1.738 . . . . 71.55 112.274 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.62 159.45 24.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.631 0.772 . . . . 71.52 111.36 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -100.27 -11.93 19.94 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.825 0.85 . . . . 63.21 113.177 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.496 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -58.56 -27.57 64.71 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.961 0.726 . . . . 72.02 112.961 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 16' ' ' LEU . 4.6 mp -66.9 -46.94 73.33 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.35 0.66 . . . . 74.25 110.226 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 49' ' ' LEU . 3.3 pm0 -86.16 -20.7 28.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.965 0.906 . . . . 74.45 112.863 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 11.6 pt-20 -73.86 -35.6 64.76 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.73 0.696 . . . . 75.32 109.342 172.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 94' ' ' LEU . 63.7 mt -63.46 -33.99 76.78 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.525 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -53.06 -32.67 48.25 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.03 0.932 . . . . 74.22 112.739 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -39.69 92.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.524 0.73 . . . . 72.44 110.853 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.8 -35.99 72.79 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.758 0.823 . . . . 45.43 110.485 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.552 HG12 HD12 ' A' ' 93' ' ' ILE . 1.8 mp -63.2 -55.15 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.574 0.75 . . . . 73.22 111.203 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.6 ptpt -66.87 -23.56 66.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 111.93 0.345 . . . . 72.51 111.93 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.24 -27.52 68.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.907 0.883 . . . . 44.35 111.104 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.19 -5.53 36.35 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.566 0.747 . . . . 73.25 112.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 27.1 6.92 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.969 0.348 . . . . 71.22 113.969 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -128.71 176.29 7.92 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.938 0.895 . . . . 72.33 109.948 172.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.613 ' HB3' HG22 ' A' ' 5' ' ' ILE . 9.2 tp10 -99.07 157.89 16.03 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.771 0.428 . . . . 74.04 111.537 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 24' ' ' LYS . 42.5 t -123.43 151.62 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.401 1.08 . . . . 64.3 109.718 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 95.0 m-85 -129.84 132.82 46.6 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.015 -1.476 . . . . 65.02 107.015 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 56' ' ' VAL . 20.5 mm -104.86 128.84 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.878 -0.786 . . . . 71.41 108.878 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.519 HD12 HG23 ' A' ' 65' ' ' ILE . 59.0 mt -103.88 108.44 19.76 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.387 -0.968 . . . . 72.35 108.387 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.09 130.02 34.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 109.32 -0.622 . . . . 70.21 109.32 -174.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -131.29 123.88 29.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.871 0.868 . . . . 74.33 108.742 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 25.1 t70 -135.64 161.95 34.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.251 1.02 . . . . 75.12 109.501 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.61 -37.28 84.54 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.827 0.851 . . . . 72.02 111.437 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -115.9 114.99 25.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.243 1.017 . . . . 73.12 109.283 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.83 -15.66 55.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.253 1.205 . . . . 75.32 114.253 -174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -45.43 16.16 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.283 -0.636 . . . . 75.4 109.283 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -71.67 -26.55 62.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.044 0.938 . . . . 72.21 110.276 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 60.5 tp -61.56 -50.63 71.88 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.909 1.284 . . . . 62.03 110.681 169.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.71 -39.15 93.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.097 -0.956 . . . . 72.13 112.131 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 12.0 pt-20 -67.3 -39.92 85.99 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.88 -0.415 . . . . 70.54 109.88 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 34' ' ' LEU . 8.3 tppt? -58.3 -41.66 84.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.184 0.994 . . . . 73.34 111.097 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' A' ' 56' ' ' VAL . 92.4 mt -52.34 -50.52 37.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 O-C-N 124.654 1.221 . . . . 72.11 109.527 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.22 -31.48 70.09 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.9 0.88 . . . . 75.03 111.83 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.9 mmmt -66.07 -45.17 82.24 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.28 0.562 . . . . 64.45 110.132 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 17' ' ' GLU . 97.1 mt -75.75 -34.74 60.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.959 -1.019 . . . . 74.11 111.055 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.7 mtpt -67.73 -31.59 71.62 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.989 0.359 . . . . 74.43 110.542 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 t -61.01 -43.22 99.21 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.454 0.701 . . . . 72.42 110.588 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -70.1 -22.29 63.05 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.097 0.559 . . . . 62.4 111.748 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.86 30.21 3.3 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 122.867 0.27 . . . . 74.31 113.313 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -112.94 114.51 27.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.921 . . . . 74.42 108.777 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.49 97.01 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.105 -0.702 . . . . 53.32 109.105 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 46' ' ' ILE . 25.3 t -95.46 135.1 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.046 -0.979 . . . . 74.53 109.802 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.92 145.6 44.55 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 107.372 -1.344 . . . . 71.22 107.372 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -94.01 125.21 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.631 -1.248 . . . . 70.33 107.631 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 33' ' ' LEU . 14.9 m -121.05 177.04 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.785 0.834 . . . . 72.42 109.621 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -83.79 -78.69 0.22 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.181 -0.674 . . . . 61.23 109.181 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.71 -163.5 1.73 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.6 -0.889 . . . . 73.41 108.6 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 36.7 t70 -67.1 -25.84 66.41 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.506 0.722 . . . . 71.41 112.853 -164.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.01 -51.57 67.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.696 0.799 . . . . 74.34 110.642 171.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.92 -28.81 55.42 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.03 -0.986 . . . . 64.5 111.161 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 9' ' ' ILE . 95.9 mt -62.15 -46.74 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.866 0.866 . . . . 62.41 110.23 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.4 -42.01 90.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.617 0.767 . . . . 74.31 111.778 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -70.17 -34.52 73.09 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.468 -0.787 . . . . 64.44 110.701 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 72' ' ' ILE . 57.2 t90 -66.02 -43.71 86.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.894 0.878 . . . . 74.51 109.957 -177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 mp -66.08 -43.96 92.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.27 0.628 . . . . 75.13 109.877 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.35 -37.21 69.71 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.852 0.861 . . . . 74.21 111.163 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -46.97 79.09 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.879 1.272 . . . . 74.52 111.15 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 68' ' ' TRP . 37.7 mm -65.81 -35.91 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.302 0.641 . . . . 63.41 111.127 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 69' ' ' ILE . 54.4 mtpt -64.0 -35.8 81.91 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.883 0.873 . . . . 74.05 111.039 176.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -77.2 -35.43 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.096 -0.956 . . . . 63.14 110.356 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -72.2 -41.76 66.57 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.614 0.765 . . . . 54.11 110.5 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -124.98 83.8 59.73 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 124.273 1.029 . . . . 72.51 109.148 -170.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -86.93 28.6 0.53 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.201 2.6 . . . . 74.24 112.43 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.1 -15.71 14.8 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 73.13 111.356 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -138.7 155.59 48.12 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.459 0.703 . . . . 64.03 112.321 -163.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 46.3 mt-10 -74.48 137.93 42.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.58 -0.896 . . . . 73.42 108.58 166.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 t -116.46 103.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 106.949 -1.501 . . . . 72.24 106.949 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.8 tpp85 -97.65 137.81 36.0 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.767 0.827 . . . . 73.44 109.646 -169.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -97.97 125.06 42.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.89 0.476 . . . . 73.12 110.435 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 93' ' ' ILE . 58.6 t -123.76 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.682 1.193 . . . . 72.11 109.282 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 43.9 p -88.54 -27.33 21.48 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.946 -0.471 . . . . 70.14 111.404 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -113.8 155.0 26.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.852 0.861 . . . . 74.21 110.557 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.01 -34.21 74.47 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.534 1.134 . . . . 70.03 111.486 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.78 -41.42 64.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.971 0.909 . . . . 74.53 111.196 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' HB2' HG13 ' A' ' 84' ' ' VAL . 62.0 mt-30 -74.18 -30.33 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.446 -1.252 . . . . 73.13 110.644 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.621 0.768 . . . . 54.45 111.528 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 94' ' ' LEU . 99.1 mttt -86.33 -22.69 26.57 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.579 0.751 . . . . 73.14 112.421 171.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -47.41 54.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.043 0.537 . . . . 73.04 109.844 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.738 HD13 HG21 ' A' ' 84' ' ' VAL . 11.8 pt -60.46 -27.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 112.756 0.65 . . . . 60.41 112.756 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.635 HD11 HD22 ' A' ' 19' ' ' LEU . 97.3 mt -52.99 -49.1 66.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.542 0.337 . . . . 73.41 110.421 169.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -74.53 -26.78 60.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.579 0.752 . . . . 74.13 111.931 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.04 -42.43 94.32 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.284 1.034 . . . . 65.02 110.498 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.474 HD13 HD21 ' A' ' 28' ' ' LEU . 54.3 mt -79.62 -26.89 41.05 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 113.892 -1.504 . . . . 65.52 111.652 -176.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.55 -35.18 67.94 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.272 0.558 . . . . 74.42 109.602 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -75.34 -17.0 60.35 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.145 -0.934 . . . . 74.35 110.851 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 64.12 23.95 13.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.843 1.257 . . . . 74.02 112.074 172.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -159.37 -105.8 0.21 Allowed Glycine 0 C--N 1.343 0.971 0 N-CA-C 110.622 -0.991 . . . . 41.21 110.622 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.6 m -149.73 170.17 19.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.151 0.58 . . . . 63.33 111.786 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.96 -61.62 1.55 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.865 0.866 . . . . 65.53 110.333 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.07 -36.02 0.14 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.031 1.122 . . . . 72.2 114.031 -171.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -156.18 137.43 13.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.913 0.324 . . . . 71.42 110.455 -168.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -90.1 50.41 1.86 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 123.83 0.852 . . . . 71.22 111.094 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -170.95 170.04 6.46 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.722 1.209 . . . . 70.11 108.097 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -137.09 148.57 46.81 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.597 0.635 . . . . 72.13 111.61 -176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -146.79 146.23 30.19 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.017 1.327 . . . . 65.14 108.439 168.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 C--O 1.26 1.649 0 C-N-CA 123.961 0.904 . . . . 65.21 109.254 174.736 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 108.333 -0.988 . . . . 60.02 108.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.25 62.15 0.31 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.782 -0.645 . . . . 65.33 112.01 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 m -71.5 -172.08 0.72 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 74.24 111.394 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -159.61 140.69 12.6 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.999 0.52 . . . . 63.53 110.162 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.42 HG12 HD13 ' A' ' 79' ' ' LEU . 48.2 pt -122.36 151.36 26.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 108.027 -1.101 . . . . 64.12 108.027 166.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG21 HD12 ' A' ' 93' ' ' ILE . 50.2 mm -116.32 123.71 71.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.18 -1.044 . . . . 73.25 108.18 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 59.9 t -101.09 113.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.118 -1.067 . . . . 74.41 108.118 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.643 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 58.5 mt -108.8 123.59 64.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 N-CA-C 108.797 -0.816 . . . . 72.44 108.797 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.8 mp -98.51 95.21 4.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.982 -1.488 . . . . 71.45 106.982 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.534 ' HB2' HD22 ' A' ' 34' ' ' LEU . 41.2 m -88.19 105.01 17.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.879 -0.6 . . . . 54.51 109.583 -170.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -111.61 99.94 8.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.796 0.838 . . . . 75.41 109.359 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 73.75 -61.07 0.51 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.591 1.556 . . . . 61.32 112.663 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.51 117.35 4.78 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 74.42 111.609 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 t -72.01 -14.28 61.84 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.075 0.95 . . . . 73.23 111.665 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 m -54.26 -37.45 64.7 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.065 0.946 . . . . 73.04 111.886 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.05 -28.53 65.53 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.803 0.441 . . . . 43.22 110.855 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 49' ' ' LEU . 41.0 mt-10 -78.8 -40.43 33.03 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.869 0.868 . . . . 72.14 111.073 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.22 -34.7 55.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.762 0.425 . . . . 73.24 111.237 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -64.09 -39.06 93.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.384 0.673 . . . . 64.11 109.855 174.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -52.29 -38.01 57.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.479 1.112 . . . . 70.04 113.022 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -61.36 -41.17 96.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.619 0.768 . . . . 75.14 110.682 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -73.83 -30.51 62.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.415 0.686 . . . . 74.24 112.009 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 97' ' ' LEU . 1.9 mp -63.52 -54.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 123.211 0.319 . . . . 72.32 110.43 171.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.2 ptpt -67.39 -20.33 65.53 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.328 0.492 . . . . 73.33 112.328 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.71 -20.0 65.38 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.424 1.089 . . . . 72.14 111.797 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -75.84 -16.65 60.04 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.11 0.564 . . . . 74.55 112.2 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.55 20.09 2.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 114.623 0.609 . . . . 43.02 114.623 171.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.6 pt? -126.98 173.56 9.55 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.949 0.9 . . . . 72.4 110.044 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -92.61 150.41 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.685 0.394 . . . . 74.44 110.526 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 73.1 t -118.8 130.56 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.917 0.887 . . . . 75.12 109.593 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HB2' HG22 ' A' ' 7' ' ' VAL . 2.1 m-85 -104.38 144.39 31.71 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.725 -1.583 . . . . 53.13 106.725 171.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -119.75 136.53 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.445 -0.946 . . . . 62.11 108.445 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HB2' HG13 ' A' ' 9' ' ' ILE . 53.6 mt -107.71 103.07 12.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.833 -1.173 . . . . 43.21 107.833 165.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -84.69 128.93 34.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 106.906 -1.516 . . . . 73.31 106.906 -175.064 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -125.94 120.07 29.42 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.299 -0.63 . . . . 64.34 109.299 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 23.7 t70 -135.56 150.08 49.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.64 1.176 . . . . 63.21 108.066 175.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -75.3 -9.41 58.53 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.897 0.479 . . . . 63.11 112.291 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.47 108.94 14.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.821 -1.177 . . . . 62.53 107.821 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.0 pt-20 -62.81 -14.15 41.94 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.111 1.152 . . . . 75.42 114.111 -173.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -84.47 -47.89 10.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.727 0.411 . . . . 74.21 110.273 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.5 -35.91 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.719 0.807 . . . . 73.11 109.809 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 45.3 tp -56.17 -56.42 21.09 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.352 1.461 . . . . 54.04 110.866 170.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 46' ' ' ILE . 4.0 tp10 -60.56 -35.38 75.91 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.151 0.907 . . . . 74.25 110.692 -172.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 64.9 mm-40 -68.64 -46.93 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.462 0.705 . . . . 73.02 110.937 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -57.26 -39.95 76.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.193 0.997 . . . . 64.12 110.307 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.504 HG23 ' HB ' ' A' ' 56' ' ' VAL . 97.2 mt -56.96 -54.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 113.737 -1.574 . . . . 75.53 110.328 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.3 mm-40 -61.21 -34.11 74.57 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.819 0.699 . . . . 71.43 110.974 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 28.1 mmtp -70.0 -44.84 68.53 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.385 0.428 . . . . 74.44 110.777 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.8 mt -67.23 -33.25 74.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.524 0.515 . . . . 54.12 111.569 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 38.4 mtpt -70.8 -32.96 70.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.084 0.402 . . . . 71.13 110.773 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.9 t -69.01 -25.43 64.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.566 0.746 . . . . 72.0 110.717 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -81.79 -14.29 56.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.725 0.81 . . . . 75.13 111.329 171.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.07 2.35 33.89 Favored Glycine 0 N--CA 1.475 1.236 0 N-CA-C 114.297 0.479 . . . . 75.11 114.297 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -79.6 133.25 36.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 117.329 0.565 . . . . 71.15 109.706 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -81.94 89.09 6.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.617 0.723 . . . . 61.42 109.236 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -94.52 147.25 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 115.528 -0.76 . . . . 61.55 110.53 -174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.49 148.79 52.34 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 123.967 0.907 . . . . 74.03 108.646 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -88.24 111.36 21.58 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.439 1.096 . . . . 72.2 108.181 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.53 155.45 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 N-CA-C 108.844 -0.799 . . . . 73.34 108.844 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.48 -46.17 9.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.143 0.577 . . . . 71.14 111.507 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.89 167.31 20.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.781 0.432 . . . . 41.02 110.875 -167.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 7.8 p-10 -69.84 -19.21 63.46 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.767 0.827 . . . . 74.44 112.437 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.61 -47.68 77.7 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.519 -0.549 . . . . 71.42 109.519 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.29 -38.54 91.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.503 0.721 . . . . 74.54 110.141 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 82.7 mt -62.43 -42.97 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.733 1.213 . . . . 54.4 112.09 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.18 -43.93 83.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.804 0.442 . . . . 72.23 110.876 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -29.24 61.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.922 -1.036 . . . . 73.2 110.556 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . 38.1 t90 -67.0 -46.13 75.47 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.052 0.941 . . . . 73.54 109.405 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -74.32 -32.95 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.625 -0.509 . . . . 71.23 109.625 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 36.8 t70 -56.63 -43.43 80.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.675 0.79 . . . . 70.54 110.851 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.1 ptpt -76.69 -36.83 57.0 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.652 -0.69 . . . . 75.53 111.082 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -60.11 -38.72 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-N 118.761 0.709 . . . . 60.13 110.99 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 70' ' ' ASP . 10.0 mtmp? -67.22 -34.25 77.08 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.539 0.735 . . . . 64.41 111.065 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -82.1 -36.95 27.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 73.34 110.31 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.57 -36.64 37.89 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.806 1.242 . . . . 54.5 109.831 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -122.35 85.94 47.8 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.338 1.055 . . . . 74.15 109.198 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 -16.6 29.22 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.786 2.324 . . . . 75.23 112.327 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -82.01 -7.01 59.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.005 0.922 . . . . 74.44 112.987 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.9 pp -138.31 125.97 22.19 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.849 0.46 . . . . 64.11 111.108 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.97 129.48 40.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.474 0.709 . . . . 74.0 109.13 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 t -112.34 126.92 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.407 0.683 . . . . 73.23 109.251 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -115.62 138.28 51.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.911 0.884 . . . . 74.1 109.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' HG12 ' A' ' 69' ' ' ILE . 30.5 mtmm -96.17 126.09 41.14 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.427 -0.583 . . . . 53.12 109.427 172.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.772 HG21 HD13 ' A' ' 93' ' ' ILE . 71.3 t -117.17 92.13 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.421 1.088 . . . . 75.45 109.534 175.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 p -86.75 -25.05 24.89 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 122.266 -0.271 . . . . 71.21 110.858 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.81 160.08 20.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.888 0.875 . . . . 64.32 111.979 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -66.0 -40.72 91.39 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.594 1.158 . . . . 71.05 111.165 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.36 -28.94 70.04 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.419 0.287 . . . . 71.12 110.949 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -72.17 -33.16 67.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.282 0.633 . . . . 75.11 110.981 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.33 63.56 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.134 0.574 . . . . 64.03 112.128 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -86.8 -25.97 24.33 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.61 0.596 . . . . 74.13 112.61 167.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -49.43 66.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.829 -0.804 . . . . 63.13 108.829 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.772 HD13 HG21 ' A' ' 84' ' ' VAL . 14.7 pt -54.6 -31.75 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 113.377 0.88 . . . . 70.25 113.377 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.473 HD11 HD22 ' A' ' 19' ' ' LEU . 85.7 mt -50.64 -50.09 55.32 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.176 0.444 . . . . 72.02 111.186 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 6.3 pt-20 -81.67 -27.59 33.97 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 110.585 -0.154 . . . . 71.11 110.585 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.642 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 28.4 t70 -70.03 -29.63 66.73 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.408 0.683 . . . . 74.03 111.241 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 23' ' ' ILE . 6.9 mp -66.18 -28.33 68.68 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.712 0.805 . . . . 71.01 110.623 172.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -87.51 -37.58 16.8 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.999 -1.0 . . . . 73.32 109.779 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 28.8 mmmt -84.34 -36.88 22.21 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.463 0.705 . . . . 64.03 111.603 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -79.02 94.19 5.25 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.04 -0.726 . . . . 74.11 109.04 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.94 60.31 0.4 Allowed Glycine 0 C--N 1.332 0.335 0 N-CA-C 109.309 -1.516 . . . . 55.41 109.309 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -65.6 147.44 53.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.524 0.73 . . . . 72.24 111.288 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.87 -31.7 66.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.471 -0.786 . . . . 71.4 109.36 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -84.67 159.0 20.64 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.603 1.161 . . . . 74.34 111.26 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -97.39 36.95 1.4 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.688 -0.856 . . . . 71.22 108.688 162.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -57.04 -40.83 77.5 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.717 1.607 . . . . 53.31 112.308 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -68.32 84.85 0.26 Allowed 'General case' 0 CA--C 1.546 0.796 0 O-C-N 124.073 0.858 . . . . 71.25 110.613 -170.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -71.16 131.59 43.78 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.09 -0.959 . . . . 74.53 110.731 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.41 ' HE1' ' O ' ' A' ' 79' ' ' LEU . 17.1 m-70 -85.06 142.33 29.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.861 0.864 . . . . 74.15 110.757 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.7 p80 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.099 -1.445 . . . . 70.02 107.099 170.239 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.448 ' SD ' ' HA2' ' A' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 121.18 0.514 . . . . 73.14 110.488 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.38 -115.55 2.22 Favored Glycine 0 CA--C 1.504 -0.618 0 N-CA-C 110.312 -1.115 . . . . 75.51 110.312 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -70.54 98.52 1.48 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 109.588 -0.523 . . . . 73.02 109.588 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 23.3 ttmm -126.02 128.25 47.14 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.375 -0.972 . . . . 71.13 108.375 168.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.8 pt -119.67 142.65 34.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 N-CA-C 108.123 -1.066 . . . . 72.12 108.123 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.59 HG13 HG21 ' A' ' 23' ' ' ILE . 45.9 mm -117.68 130.76 72.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.704 -0.85 . . . . 75.1 108.704 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.98 104.54 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.875 -1.157 . . . . 74.21 107.875 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.05 125.74 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.822 0.849 . . . . 73.34 109.355 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.56 98.7 7.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.797 -1.557 . . . . 71.13 106.797 -175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.9 t -95.19 105.1 17.01 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 108.913 -0.773 . . . . 72.13 108.913 -177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -91.27 72.73 6.2 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.971 -1.013 . . . . 75.13 109.735 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.56 35.84 22.7 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-N 115.138 -0.937 . . . . 51.53 111.397 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB3' HD13 ' A' ' 16' ' ' LEU . 12.7 t70 -127.37 144.64 51.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.358 -0.839 . . . . 74.12 111.133 -177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -88.42 -34.48 17.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.099 0.96 . . . . 75.1 112.583 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m -52.92 -43.59 66.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.404 0.682 . . . . 75.23 112.296 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' ' 13' ' ' ASP . 5.8 mp -64.86 -28.99 69.93 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.176 0.59 . . . . 75.3 111.422 -176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.1 -39.39 49.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.165 0.986 . . . . 64.1 109.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.62 -46.87 87.95 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 115.0 -1.0 . . . . 74.33 109.816 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 15' ' ' THR . 63.9 mt -64.04 -44.37 92.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.54 1.136 . . . . 70.13 110.646 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.74 55.38 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.528 1.131 . . . . 72.31 112.863 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HD2' ' A' ' 24' ' ' LYS . 10.9 tpt180 -62.53 -31.59 72.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.228 1.011 . . . . 72.32 111.856 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.76 -39.48 57.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.555 0.742 . . . . 61.51 110.412 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.59 HG21 HG13 ' A' ' 6' ' ' ILE . 3.1 mp -68.26 -46.71 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.899 0.48 . . . . 72.22 110.874 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD2' ' HD2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -68.37 -21.87 64.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.302 0.482 . . . . 74.13 112.302 -177.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.04 -13.11 61.94 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.947 0.779 . . . . 45.14 111.772 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HG3' HD23 ' A' ' 97' ' ' LEU . 44.3 mm-40 -74.13 -4.04 33.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.631 0.772 . . . . 73.25 111.446 172.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 37.49 14.08 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.592 -1.003 . . . . 71.34 110.592 -170.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.635 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 16.8 mt -107.36 144.38 34.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.424 0.689 . . . . 72.44 109.298 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.68 108.31 17.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.689 0.796 . . . . 72.23 108.891 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.8 t -102.13 131.0 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.472 0.709 . . . . 65.4 109.727 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.39 133.55 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.831 1.253 . . . . 74.22 107.743 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.5 mm -114.49 119.12 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.469 -0.938 . . . . 73.11 108.469 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 59' ' ' VAL . 24.3 mt -92.84 98.63 11.51 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.024 -1.102 . . . . 64.11 108.024 173.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -90.05 129.65 36.33 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.717 -1.216 . . . . 70.13 107.717 -174.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -127.48 124.66 38.86 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.824 -0.806 . . . . 74.11 108.824 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 29.9 t70 -133.35 161.75 33.67 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.361 1.064 . . . . 61.34 108.159 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.89 -24.51 63.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.8 0.84 . . . . 74.24 111.226 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -125.69 115.77 20.62 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.097 0.959 . . . . 75.32 109.934 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 46.3 mt-10 -56.75 -22.91 39.0 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.473 1.286 . . . . 75.21 114.473 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 7.5 tmtt? -72.48 -57.74 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.26 -1.015 . . . . 74.52 108.26 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.25 -38.05 82.27 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.507 0.723 . . . . 70.32 110.889 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 31.5 tp -53.9 -48.97 69.6 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.253 1.421 . . . . 70.51 111.527 174.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.1 tt0 -74.3 -24.89 59.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.762 -0.653 . . . . 74.41 110.93 -174.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 49.2 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.236 -0.653 . . . . 74.32 109.236 173.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -60.48 -40.79 92.55 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.784 -1.098 . . . . 62.32 111.039 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG23 ' HB ' ' A' ' 56' ' ' VAL . 69.4 mt -53.01 -49.74 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.386 1.074 . . . . 74.33 110.239 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 12.8 mm100 -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.054 0.541 . . . . 73.45 111.964 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.68 -42.11 92.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.699 0.799 . . . . 74.41 111.406 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' A' ' 56' ' ' VAL . 72.6 mt -73.59 -35.56 65.44 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.449 -0.796 . . . . 64.34 111.649 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.05 -23.7 65.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.831 0.453 . . . . 74.41 111.935 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -61.86 -29.07 69.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.056 0.543 . . . . 73.32 111.262 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -94.81 18.41 11.81 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.804 0.841 . . . . 73.55 111.158 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.77 73.39 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 119.265 -0.742 . . . . 62.15 114.796 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -67.15 127.92 34.43 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 117.695 0.748 . . . . 72.45 109.696 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.33 91.1 7.25 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.257 -1.016 . . . . 72.52 108.257 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.7 t -93.65 139.41 18.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.12 -0.945 . . . . 74.32 110.193 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.03 146.95 50.17 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.809 0.843 . . . . 74.43 109.249 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' HG3' HD21 ' A' ' 42' ' ' LEU . 39.9 ttmt -87.14 120.9 28.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.703 -1.221 . . . . 75.02 107.703 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 33' ' ' LEU . 10.4 m -119.96 149.54 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.926 0.89 . . . . 64.41 109.625 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.42 -58.75 3.09 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.765 0.666 . . . . 64.4 110.916 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -165.88 -167.36 1.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.556 -0.905 . . . . 65.32 108.556 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 1.4 m-20 -64.0 -24.9 67.89 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 123.93 0.892 . . . . 70.02 112.053 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.22 -56.71 16.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.301 1.041 . . . . 73.12 109.819 169.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.01 -30.08 64.86 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.678 -1.146 . . . . 70.11 110.799 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 69.7 mt -68.78 -53.67 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.77 1.228 . . . . 74.3 111.449 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.12 -35.51 73.58 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.994 0.518 . . . . 71.12 110.806 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.2 -24.63 54.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.109 -0.951 . . . . 72.25 110.901 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 23.6 t90 -72.24 -40.37 67.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.056 0.542 . . . . 74.22 110.274 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' HB2' ' A' ' 83' ' ' LYS . 2.0 mp -68.99 -36.63 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.927 -0.768 . . . . 73.14 108.927 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.86 -50.14 74.33 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.725 0.81 . . . . 54.44 111.341 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 17.4 ptpt -65.99 -34.02 77.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.237 0.336 . . . . 73.12 110.685 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.6 mm -69.06 -40.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.931 0.892 . . . . 71.25 111.866 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -67.83 -27.08 66.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.979 0.419 . . . . 65.54 110.171 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -82.68 -22.84 34.42 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.163 0.985 . . . . 74.23 110.74 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 20.8 mm-40 -78.28 -49.61 13.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.1 -0.704 . . . . 70.11 109.1 171.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HD2' HD21 ' A' ' 79' ' ' LEU . 39.0 mtt180 -134.39 96.58 15.32 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.058 0.943 . . . . 72.04 108.938 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -88.36 12.2 2.88 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.954 2.436 . . . . 70.44 112.235 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -104.47 7.76 35.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.196 0.998 . . . . 73.43 111.576 -172.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.526 HD21 ' HD2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -134.67 163.99 28.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.202 0.601 . . . . 72.31 112.111 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 6.9 mm-40 -72.99 130.4 40.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.76 -1.109 . . . . 74.21 109.096 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -125.57 107.09 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.064 -1.087 . . . . 75.23 108.064 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HG2' HG21 ' A' ' 93' ' ' ILE . 23.1 tpp180 -109.37 105.82 15.35 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.247 -0.649 . . . . 63.45 109.247 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' HB2' HG12 ' A' ' 69' ' ' ILE . 40.5 ttpt -72.63 120.25 17.98 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.542 -0.91 . . . . 72.02 108.542 169.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 72.8 t -116.49 92.39 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.509 1.124 . . . . 45.02 108.646 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -70.97 -43.89 67.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.602 0.761 . . . . 70.34 111.406 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.27 152.12 33.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 73.35 110.378 -174.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.46 -34.14 68.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.793 1.237 . . . . 73.14 113.084 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.04 -37.16 68.86 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.502 1.121 . . . . 73.23 110.717 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' HB2' HG13 ' A' ' 84' ' ' VAL . 85.3 mt-30 -73.92 -33.91 64.16 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.561 -1.2 . . . . 70.34 110.366 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -70.5 -26.07 63.43 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.149 0.5 . . . . 55.15 111.487 175.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -79.07 -33.13 44.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.768 0.827 . . . . 61.31 111.193 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -78.32 -36.89 45.83 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.251 0.621 . . . . 74.33 110.884 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' HD13 ' A' ' 97' ' ' LEU . 21.6 pt -65.06 -25.73 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 113.366 0.876 . . . . 62.12 113.366 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.15 -37.5 2.08 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.334 0.588 . . . . 75.44 111.258 168.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 37.6 mt-10 -86.46 -41.08 14.7 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.653 1.181 . . . . 75.41 111.846 176.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.9 t70 -50.19 -37.85 37.1 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.3 1.04 . . . . 61.12 112.946 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.71 HD23 ' HG3' ' A' ' 26' ' ' GLU . 6.1 mp -62.99 -30.28 71.47 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 125.206 1.402 . . . . 75.11 111.024 175.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -88.3 -34.37 17.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.591 1.156 . . . . 72.41 112.095 -178.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 14.3 mmmm -61.51 -29.54 70.05 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.202 0.601 . . . . 71.24 111.365 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -118.63 73.51 0.92 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.182 -1.414 . . . . 75.04 107.182 168.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' HA2' ' SD ' ' A' ' 1' ' ' MET . . . -110.16 -84.8 1.56 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.132 -0.486 . . . . 73.41 113.02 -173.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -76.99 3.29 12.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.031 0.932 . . . . 71.32 113.417 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.77 -77.31 0.13 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.534 -0.914 . . . . 62.25 108.534 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.62 63.82 0.61 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.231 1.013 . . . . 75.55 109.363 -177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -78.56 79.12 5.0 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.528 -0.76 . . . . 74.31 111.194 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -80.57 -1.55 42.51 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.458 0.703 . . . . 71.4 109.513 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -40.71 109.66 0.12 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.984 1.714 . . . . 73.25 109.419 162.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.86 -22.86 65.88 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.664 0.987 . . . . 62.21 113.664 -163.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 68.72 119.17 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.465 1.106 . . . . 74.3 112.561 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.002 0.921 . . . . 73.32 109.195 174.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 119.79 -0.147 . . . . 74.1 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.84 45.39 4.86 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 110.433 -1.067 . . . . 60.22 110.433 -166.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -71.38 177.78 3.77 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.018 0.927 . . . . 73.43 110.917 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HD3' ' HB2' ' A' ' 80' ' ' GLU . 11.8 tppt? -132.94 133.54 43.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.705 -0.85 . . . . 71.35 108.705 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.66 145.91 34.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 107.163 -1.421 . . . . 74.1 107.163 159.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.3 mm -114.42 138.26 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 108.334 -0.987 . . . . 61.14 108.334 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' A' ' 69' ' ' ILE . 40.2 t -116.67 111.89 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.275 -1.009 . . . . 74.53 108.275 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt -109.29 126.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 123.174 0.59 . . . . 54.41 109.947 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -94.7 91.91 3.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 N-CA-C 106.359 -1.719 . . . . 74.32 106.359 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -81.06 102.06 9.98 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.914 -1.143 . . . . 54.32 107.914 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -107.61 83.95 1.88 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.239 -0.891 . . . . 74.51 109.936 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 78.69 -53.08 0.47 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.179 1.392 . . . . 74.12 112.149 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.08 149.09 43.42 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 71.12 111.329 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -101.14 -14.45 17.75 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.046 0.758 . . . . 65.33 113.046 -169.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -24.88 67.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.68 0.392 . . . . 51.34 111.603 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.89 -31.72 72.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.99 0.516 . . . . 74.0 110.103 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.98 -32.19 30.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.709 1.203 . . . . 74.11 110.161 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.26 -49.24 72.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.654 1.182 . . . . 73.03 109.851 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.57 -36.39 78.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.999 -1.0 . . . . 54.12 110.535 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -54.37 -36.94 64.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.389 1.076 . . . . 70.23 112.811 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -73.97 -32.48 63.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.384 0.674 . . . . 73.42 110.76 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -73.96 -31.53 63.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.421 0.688 . . . . 54.32 110.816 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' ALA . 93.9 mt -66.24 -60.13 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.815 0.846 . . . . 73.04 110.519 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HB3' HG23 ' A' ' 30' ' ' VAL . 11.0 ptpt -63.41 -17.78 63.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.421 0.897 . . . . 71.21 113.421 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.17 -20.6 42.27 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.178 0.991 . . . . 72.34 112.802 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.97 -2.71 28.39 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.44 0.696 . . . . 63.04 112.082 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.25 35.19 5.09 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 123.023 0.344 . . . . 64.32 112.836 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.45 164.52 20.96 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.58 0.752 . . . . 73.54 109.883 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -90.58 146.4 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.742 0.417 . . . . 72.22 110.524 173.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 24' ' ' LYS . 74.0 t -122.07 128.1 75.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 123.69 0.796 . . . . 65.22 108.999 170.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.03 113.6 27.25 Favored 'General case' 0 C--N 1.337 0.054 0 N-CA-C 107.623 -1.251 . . . . 71.35 107.623 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.7 mm -89.33 117.6 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.793 -0.817 . . . . 71.21 108.793 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 59' ' ' VAL . 25.8 mt -87.83 105.58 17.51 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.221 -1.029 . . . . 73.23 108.221 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 121.11 32.86 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.059 -1.089 . . . . 71.44 108.059 -177.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.4 ptmm? -126.9 118.71 25.1 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.733 -1.21 . . . . 75.35 107.733 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 14.0 t70 -134.23 167.63 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.052 -0.976 . . . . 71.32 108.793 -174.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -70.35 -35.49 73.6 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.865 0.466 . . . . 51.04 110.773 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -117.99 179.2 4.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.466 0.706 . . . . 72.31 112.759 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.56 -58.97 2.04 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.96 0.904 . . . . 54.41 111.344 -174.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 22.7 ttmm -73.5 -30.13 62.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.866 0.467 . . . . 53.31 111.675 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.37 -44.42 87.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.982 -0.747 . . . . 74.41 108.982 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 5.4 tt -61.71 -44.58 96.65 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.495 1.118 . . . . 75.12 112.896 168.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 7.3 tt0 -50.46 -53.06 32.56 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.344 1.458 . . . . 60.25 112.327 -174.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.63 -34.66 67.48 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 115.777 -0.647 . . . . 75.43 110.348 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -46.41 85.2 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.011 0.924 . . . . 74.53 111.328 174.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.57 HG23 ' HB ' ' A' ' 56' ' ' VAL . 13.8 mt -50.5 -48.81 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.154 0.908 . . . . 73.3 110.203 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -74.57 -31.08 61.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.295 -0.866 . . . . 73.12 112.177 -173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.62 -36.24 82.12 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.174 0.511 . . . . 71.43 110.792 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HB2' HG21 ' A' ' 56' ' ' VAL . 95.2 mt -77.42 -43.03 33.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.356 -0.838 . . . . 32.31 111.39 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -66.62 -24.72 66.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 111.77 0.285 . . . . 73.25 111.77 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -59.95 -30.88 69.38 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.756 0.823 . . . . 60.52 111.712 169.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.458 HE21 ' HA ' ' A' ' 49' ' ' LEU . 43.1 mt-30 -86.08 5.34 34.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.824 0.85 . . . . 72.25 111.275 176.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.13 2.73 56.89 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 119.521 -0.599 . . . . 75.11 114.105 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -77.32 167.02 22.41 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 117.629 0.714 . . . . 64.21 111.825 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -117.44 110.52 18.11 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.776 -1.194 . . . . 73.35 107.776 165.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 49' ' ' LEU . 24.3 t -111.62 127.27 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.351 0.66 . . . . 63.01 109.545 -173.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 25.8 mmm180 -120.22 144.87 47.5 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.003 0.921 . . . . 74.4 109.825 -173.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HE3' HD13 ' A' ' 42' ' ' LEU . 2.7 tmtp? -83.36 123.12 29.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.379 -0.971 . . . . 64.32 108.379 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 33' ' ' LEU . 18.7 m -122.54 157.23 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.204 0.602 . . . . 42.42 109.916 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -79.03 -73.51 0.33 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.703 -0.681 . . . . 64.2 109.681 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -154.81 -163.89 1.68 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 108.397 -0.964 . . . . 65.44 108.397 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.892 0.877 . . . . 75.41 112.186 -169.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -55.77 -51.87 65.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.891 0.877 . . . . 74.14 110.627 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.77 -31.1 63.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.96 0.904 . . . . 43.32 110.608 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 85.4 mt -65.0 -55.4 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.223 1.009 . . . . 53.04 111.284 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.91 -35.83 81.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.624 0.37 . . . . 63.21 111.075 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -71.43 -32.58 68.54 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.821 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.437 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.7 t90 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.399 0.679 . . . . 75.32 109.665 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.697 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -75.23 -33.4 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 122.994 0.517 . . . . 73.12 109.936 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 21.3 t70 -62.67 -37.55 86.86 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.211 -0.904 . . . . 73.23 111.354 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.76 -37.69 67.59 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.697 -0.668 . . . . 53.34 111.073 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -63.51 -39.47 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-N 118.411 0.551 . . . . 51.21 111.275 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 53.6 mtmt -62.82 -37.06 85.24 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.77 -0.65 . . . . 74.4 110.676 176.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -76.73 -44.85 31.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 71.33 110.975 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.66 -47.02 79.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.97 0.908 . . . . 65.31 110.137 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -125.03 90.13 51.52 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 114.866 -1.061 . . . . 74.34 110.09 -170.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.56 -7.85 17.94 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 73.11 112.978 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -82.11 -8.9 59.67 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.786 0.661 . . . . 72.31 112.786 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.64 160.36 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.063 0.545 . . . . 60.13 111.779 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 60.9 mm-40 -93.18 139.25 30.8 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.096 0.958 . . . . 74.13 108.516 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -120.7 119.34 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.57 -0.53 . . . . 72.43 109.57 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.9 tpp180 -111.92 133.95 53.79 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.646 0.779 . . . . 72.33 109.904 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.697 ' HG2' HG12 ' A' ' 69' ' ' ILE . 24.0 mtmm -94.0 113.24 25.19 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.717 -0.846 . . . . 72.55 108.717 170.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 90' ' ' ALA . 87.8 t -110.7 91.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.984 -0.747 . . . . 63.21 108.984 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.415 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 44.9 p -87.63 -21.85 25.07 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.787 0.327 . . . . 74.12 110.751 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.4 147.87 38.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.842 0.857 . . . . 71.14 110.831 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -51.91 -42.02 62.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.289 1.036 . . . . 72.43 110.818 167.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.38 -40.22 74.25 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.349 1.06 . . . . 62.3 112.081 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.12 -35.25 76.2 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.094 -0.503 . . . . 74.15 111.122 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.65 -31.25 71.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.181 0.592 . . . . 73.42 111.497 174.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -74.91 -33.77 62.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.698 0.799 . . . . 74.04 110.743 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -75.06 -41.63 58.59 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.785 -0.643 . . . . 71.52 110.853 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.54 HG21 ' HG2' ' A' ' 82' ' ' ARG . 19.9 pt -69.64 -22.54 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.343 0.868 . . . . 55.43 113.343 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -51.96 -27.97 15.05 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.506 0.323 . . . . 71.33 111.016 166.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 7.6 mm-40 -84.95 -53.13 5.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.927 0.891 . . . . 64.42 111.065 169.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.503 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.2 t70 -44.9 -43.98 9.31 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 125.107 1.363 . . . . 65.04 113.9 -175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.13 -39.69 87.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.086 0.954 . . . . 62.02 111.497 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -76.28 -41.61 48.26 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.136 -0.938 . . . . 71.23 110.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 11.4 mmpt? -67.29 -17.72 64.9 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 114.82 -1.082 . . . . 73.22 113.002 -172.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.9 tptt 58.56 53.53 6.06 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.098 -1.816 . . . . 73.44 106.098 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 135.24 37.29 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 113.813 -1.539 . . . . 73.13 114.822 -162.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.5 m -103.71 30.11 5.3 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.172 0.989 . . . . 72.35 109.777 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' HB2' HH22 ' A' ' 82' ' ' ARG . 3.3 mm? -68.64 -40.76 80.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.395 0.678 . . . . 73.21 109.365 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -92.16 87.02 5.95 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.114 -1.069 . . . . 70.33 108.114 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -147.24 37.67 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.303 -1.369 . . . . 74.03 107.303 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -76.41 74.19 3.17 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.597 1.189 . . . . 74.3 110.162 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.23 174.09 10.93 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 125.366 1.466 . . . . 64.24 107.804 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 63.02 33.52 14.69 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.691 0.796 . . . . 75.22 110.816 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -157.94 175.99 13.13 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.751 -0.659 . . . . 71.33 110.062 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.8 t60 . . . . . 0 C--O 1.248 0.987 0 N-CA-C 108.498 -0.927 . . . . 72.55 108.498 172.124 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.376 -0.601 . . . . 62.23 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.2 52.74 2.17 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.848 -0.615 . . . . 73.12 111.683 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -114.83 167.66 10.58 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.265 0.626 . . . . 70.24 111.332 -174.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HD3' ' HG3' ' A' ' 80' ' ' GLU . 18.4 ttpt -144.97 145.45 31.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.878 1.271 . . . . 55.55 108.555 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 79' ' ' LEU . 24.2 pt -115.39 152.27 17.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.843 0 N-CA-C 108.945 -0.761 . . . . 64.21 108.945 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm -114.05 143.37 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.613 -0.721 . . . . 74.24 109.564 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 69' ' ' ILE . 72.8 t -119.21 115.15 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 107.795 -1.187 . . . . 53.21 107.795 171.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.611 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 49.2 mt -105.4 124.16 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.657 -0.498 . . . . 74.14 109.657 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -95.71 98.46 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 105.642 -1.984 . . . . 70.5 105.642 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -114.35 132.28 56.25 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.577 0.704 . . . . 74.42 111.038 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.535 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 79.3 p -132.73 123.7 26.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.208 -1.36 . . . . 71.33 109.801 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.78 -69.79 0.16 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.984 1.313 . . . . 73.14 113.462 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.02 138.66 46.1 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.73 1.212 . . . . 51.33 112.247 -171.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -74.57 -26.81 60.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.1 0.96 . . . . 74.1 113.198 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 m -56.12 -40.36 73.64 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.304 0.502 . . . . 63.21 112.354 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.2 -32.53 66.86 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.266 0.555 . . . . 72.21 110.144 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 49' ' ' LEU . 48.1 mt-10 -67.56 -49.43 63.24 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.824 1.25 . . . . 72.43 111.061 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.14 -25.77 52.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.243 0.617 . . . . 73.31 112.206 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.6 -33.45 72.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.924 0.489 . . . . 75.11 110.495 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.57 -32.37 50.57 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.002 0.921 . . . . 74.44 112.299 176.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -69.96 -30.83 68.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.57 0.748 . . . . 64.45 111.224 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -69.97 -45.27 67.72 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 122.953 0.501 . . . . 50.1 110.137 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.59 -52.08 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.251 0.62 . . . . 72.33 111.518 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 14.3 ptmm? -56.83 -21.68 30.83 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.7 0.8 . . . . 62.25 112.607 -172.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.17 -29.7 61.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.567 1.147 . . . . 74.35 111.743 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.84 -18.99 65.0 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.585 0.754 . . . . 54.52 112.101 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.83 41.8 1.78 Allowed Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.618 0.628 . . . . 74.4 112.651 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -126.87 151.75 47.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.587 0.355 . . . . 70.32 110.933 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.27 122.42 21.95 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 124.255 0.972 . . . . 71.33 108.546 167.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.06 129.1 53.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.391 -0.966 . . . . 73.4 108.391 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG22 ' A' ' 7' ' ' VAL . 57.8 m-85 -104.2 132.9 49.97 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.383 -1.34 . . . . 73.33 107.383 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 56' ' ' VAL . 28.3 mm -114.69 120.47 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.421 -0.955 . . . . 72.41 108.421 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 59' ' ' VAL . 34.3 mt -95.71 101.98 13.73 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.013 -1.106 . . . . 63.45 108.013 170.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.88 140.97 28.96 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 107.897 -1.149 . . . . 72.01 107.897 -175.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 11' ' ' SER . 17.4 ptpt -141.09 120.98 13.55 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.77 -0.826 . . . . 75.5 108.77 173.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -129.4 155.39 45.76 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.656 -0.868 . . . . 43.15 108.656 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -54.27 -37.19 64.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 60.04 110.685 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.73 130.61 56.43 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 108.759 -0.83 . . . . 71.12 108.759 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG3' HD23 ' A' ' 42' ' ' LEU . 21.4 tt0 -61.7 -13.71 25.3 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.126 1.158 . . . . 73.34 114.126 -177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.04 -59.87 2.52 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.993 0.36 . . . . 63.33 111.193 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -68.75 -24.74 64.49 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.276 0.63 . . . . 72.32 110.535 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD23 ' HG3' ' A' ' 39' ' ' GLU . 30.5 tp -54.79 -58.34 7.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.665 -1.152 . . . . 73.0 110.782 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 37.5 tt0 -69.9 -28.26 65.47 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.466 0.479 . . . . 75.4 111.279 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -60.83 -49.76 76.17 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.393 0.615 . . . . 70.04 109.512 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.89 92.9 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.088 -1.415 . . . . 75.0 110.45 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' HA ' HG11 ' A' ' 56' ' ' VAL . 84.0 mt -57.83 -50.76 76.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.661 -1.154 . . . . 74.22 110.925 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.4 mm-40 -66.89 -37.53 84.56 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.13 0.269 . . . . 65.0 111.307 -176.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -65.24 -34.61 78.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.346 0.658 . . . . 74.24 112.183 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.1 mt -81.16 -32.86 33.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.822 0.449 . . . . 62.14 111.137 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -69.44 -28.08 65.81 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 122.159 -0.338 . . . . 74.31 110.411 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.4 t -63.62 -31.22 72.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.865 0.866 . . . . 74.31 111.035 170.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.6 mt-30 -88.9 14.44 10.41 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.64 0.776 . . . . 75.53 111.488 175.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.55 51.0 13.12 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 123.404 0.44 . . . . 40.23 113.26 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 51.1 m-85 -127.35 142.34 51.47 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.818 0.847 . . . . 74.31 109.109 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.59 83.17 8.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.993 -0.743 . . . . 65.42 108.993 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.0 t -92.49 136.77 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 114.818 -1.083 . . . . 42.21 110.039 -174.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 19.1 mmt180 -138.57 152.34 48.1 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.371 1.068 . . . . 74.44 110.804 -172.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' HD21 ' A' ' 42' ' ' LEU . 40.1 ttmt -94.83 128.19 41.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.14 -1.391 . . . . 71.51 109.122 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 33' ' ' LEU . 6.9 m -116.79 150.99 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 121.447 0.642 . . . . 75.14 110.795 178.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -77.27 -46.74 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.667 -1.151 . . . . 72.25 110.648 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -172.02 -174.96 1.38 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.748 0.819 . . . . 73.2 109.519 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.51 -35.58 80.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.025 0.75 . . . . 60.11 113.025 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -58.82 -44.31 90.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.698 0.624 . . . . 74.13 109.405 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.06 -33.58 75.83 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.207 -0.906 . . . . 72.41 111.292 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.5 -50.55 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.888 0.875 . . . . 64.23 111.324 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.13 -37.42 80.02 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.818 0.281 . . . . 75.35 111.607 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.25 -31.19 68.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.477 0.711 . . . . 71.51 111.008 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.493 ' O ' HG12 ' A' ' 72' ' ' ILE . 25.9 t90 -68.77 -49.22 60.46 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 75.42 110.274 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.664 HD11 HG11 ' A' ' 7' ' ' VAL . 2.1 mp -72.63 -31.4 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.912 0.485 . . . . 61.42 110.477 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.94 -47.12 52.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.485 1.114 . . . . 63.1 111.59 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -78.18 -30.79 49.24 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.415 -0.811 . . . . 72.11 111.728 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.9 mm -62.18 -42.52 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.177 0.591 . . . . 71.12 110.728 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -67.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.131 -0.941 . . . . 72.14 111.104 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -78.19 -43.22 29.17 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.77 0.828 . . . . 72.02 110.577 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.27 -40.85 94.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.105 0.962 . . . . 62.14 110.434 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.424 ' HD3' HD21 ' A' ' 79' ' ' LEU . 52.1 mtt180 -123.97 82.78 55.68 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.87 0.868 . . . . 54.1 109.634 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.57 -14.71 11.4 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.936 2.424 . . . . 74.53 113.714 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.86 -5.6 56.68 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.684 0.394 . . . . 75.42 111.934 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD13 HG12 ' A' ' 5' ' ' ILE . 3.5 pp -123.53 150.81 43.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.808 -0.812 . . . . 53.44 108.808 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' HD3' ' A' ' 4' ' ' LYS . 9.4 pt-20 -99.25 155.88 17.27 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.986 0.515 . . . . 75.14 111.363 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.99 136.82 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 71.44 109.779 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -127.43 119.14 25.47 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.328 0.651 . . . . 71.23 109.945 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.5 mtmt -75.37 135.98 40.81 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.127 0.571 . . . . 74.13 110.625 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 57.1 t -120.92 95.98 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 124.165 0.986 . . . . 42.42 110.989 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.5 p -81.47 -30.95 33.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.136 0.574 . . . . 73.21 111.425 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 18.6 m-20 -116.15 157.41 24.84 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.382 0.673 . . . . 65.23 111.703 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.56 -45.75 57.26 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.289 1.036 . . . . 71.21 111.088 167.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.52 -20.83 61.99 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.512 -0.767 . . . . 74.32 112.129 -176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.9 mm100 -70.72 -40.92 72.5 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.315 -0.624 . . . . 70.11 109.315 169.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -68.84 -27.11 65.54 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.413 0.685 . . . . 72.32 112.14 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -78.47 -33.79 48.08 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.618 0.767 . . . . 73.42 110.303 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.29 -47.39 57.13 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.467 0.307 . . . . 74.3 110.243 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 27.4 pt -59.72 -31.85 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.025 0.75 . . . . 74.5 113.025 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.89 -43.32 49.34 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.016 0.526 . . . . 72.42 110.632 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.18 -32.41 26.61 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.96 1.304 . . . . 44.44 110.49 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 38.8 t70 -73.56 -27.88 61.56 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.654 0.782 . . . . 74.43 111.596 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.2 mp -72.75 -18.02 61.54 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 120.914 0.388 . . . . 75.34 110.372 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -88.06 -31.04 19.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.733 0.813 . . . . 72.15 110.388 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -88.39 -76.33 0.4 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.914 0.486 . . . . 61.23 109.901 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -75.69 85.57 2.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.159 0.983 . . . . 75.31 110.516 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.8 66.28 0.41 Allowed Glycine 0 C--N 1.333 0.391 0 N-CA-C 109.09 -1.604 . . . . 54.41 109.09 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.7 p 51.81 73.25 0.33 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.659 1.583 . . . . 75.42 112.203 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.37 -7.02 54.12 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 115.191 -0.913 . . . . 62.1 110.648 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.52 125.71 27.89 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 125.534 1.534 . . . . 75.12 108.354 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.0 -30.37 67.68 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 121.388 0.613 . . . . 60.1 109.425 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -154.96 115.11 3.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.953 1.301 . . . . 73.0 107.815 169.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -64.8 -32.42 74.1 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.376 1.071 . . . . 64.1 112.32 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -151.04 129.43 12.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.401 0.68 . . . . 75.41 109.668 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -79.5 -26.21 41.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.119 0.568 . . . . 75.34 110.371 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.8 t60 . . . . . 0 C--O 1.251 1.135 0 N-CA-C 107.043 -1.466 . . . . 74.21 107.043 176.628 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.567 0.223 . . . . 63.42 110.401 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.33 68.76 0.24 Allowed Glycine 0 C--N 1.34 0.79 0 N-CA-C 109.878 -1.289 . . . . 53.11 109.878 172.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -62.27 141.24 58.35 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.473 0.709 . . . . 62.3 112.279 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -137.74 140.92 40.93 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.128 0.971 . . . . 64.25 108.761 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 81' ' ' VAL . 43.7 pt -128.2 157.45 40.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 N-CA-C 108.377 -0.972 . . . . 71.5 108.377 166.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -123.59 138.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.967 -0.753 . . . . 71.35 108.967 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 31' ' ' TYR . 72.6 t -117.27 113.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 107.186 -1.413 . . . . 70.01 107.186 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.483 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.3 mt -106.79 130.43 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 109.189 -0.671 . . . . 75.4 109.189 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -93.29 86.36 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 107.051 -1.463 . . . . 75.32 107.051 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -88.35 105.88 17.87 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.788 -0.642 . . . . 73.14 109.448 -173.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -133.42 121.38 22.18 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.325 -0.852 . . . . 74.13 109.224 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.98 -68.2 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.78 1.232 . . . . 71.24 112.394 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.73 154.54 38.35 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.312 1.045 . . . . 51.11 111.946 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -106.0 -16.63 14.57 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.262 1.025 . . . . 64.2 112.708 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -54.07 -35.76 62.41 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.25 0.477 . . . . 73.44 111.704 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.19 -39.92 96.02 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.7 0.8 . . . . 75.24 111.171 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.42 -43.54 85.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.033 1.333 . . . . 73.31 111.178 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.41 -42.46 78.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.05 -0.977 . . . . 63.11 111.528 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.91 -40.27 94.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.353 0.661 . . . . 73.45 110.403 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.03 -32.41 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.322 1.049 . . . . 44.23 112.619 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 tpt85 -64.79 -28.53 69.63 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 115.155 -0.929 . . . . 75.4 111.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 9.9 mptt -84.65 -32.8 23.45 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.635 0.774 . . . . 63.12 110.158 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 1.8 mp -64.78 -42.83 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.008 0.523 . . . . 75.32 110.432 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -68.04 -25.46 65.38 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.891 0.377 . . . . 73.54 110.763 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.78 -9.99 59.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.947 . . . . 64.04 111.333 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 52.8 mm-40 -74.45 -15.32 60.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.0 0.52 . . . . 75.45 111.302 172.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.38 37.79 4.45 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.075 -0.81 . . . . 33.33 111.075 -173.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD11 HD21 ' A' ' 97' ' ' LEU . 10.4 mt -114.58 147.3 39.69 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.375 -0.602 . . . . 72.14 109.375 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -87.86 111.94 21.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.129 -1.063 . . . . 75.35 108.129 168.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.09 131.66 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.818 -0.438 . . . . 74.15 109.818 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.658 ' HB2' HG22 ' A' ' 7' ' ' VAL . 40.6 m-85 -108.41 144.1 36.44 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 106.972 -1.492 . . . . 74.41 106.972 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG21 HD13 ' A' ' 49' ' ' LEU . 25.9 mm -123.93 125.46 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.448 -0.945 . . . . 65.33 108.448 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 HD12 HG23 ' A' ' 65' ' ' ILE . 38.9 mt -101.89 120.05 39.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.582 0.706 . . . . 72.15 111.106 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD11 ' HG2' ' A' ' 45' ' ' LYS . 1.4 mm? -105.15 122.94 46.95 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.484 -1.234 . . . . 63.14 111.163 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HE2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.58 120.26 8.6 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.987 -1.116 . . . . 74.13 107.987 157.427 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -132.61 171.79 13.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.88 1.272 . . . . 61.24 109.558 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -46.18 -47.89 17.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.429 1.491 . . . . 74.23 112.224 175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.21 119.3 28.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.381 -0.827 . . . . 72.11 110.104 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.7 -15.03 62.2 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.525 0.935 . . . . 75.02 113.525 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.58 -49.63 15.87 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.98 0.419 . . . . 74.01 110.083 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -63.52 -29.92 71.12 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.537 -0.756 . . . . 64.51 110.265 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HG ' HD12 ' A' ' 34' ' ' LEU . 5.4 tt -61.39 -44.85 96.43 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.221 -1.354 . . . . 75.41 110.707 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.2 -35.8 81.52 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.418 0.449 . . . . 74.13 110.603 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.66 -41.67 78.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.77 -0.65 . . . . 75.24 109.964 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -59.76 -38.81 82.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.086 0.954 . . . . 74.14 110.97 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.507 HG23 ' HB ' ' A' ' 56' ' ' VAL . 54.1 mt -55.12 -51.26 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 124.089 0.868 . . . . 51.15 109.101 173.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -64.17 -36.43 84.03 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.944 0.498 . . . . 71.42 111.856 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.2 0.6 . . . . 73.13 110.907 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.616 ' HB2' HG21 ' A' ' 56' ' ' VAL . 90.0 mt -73.41 -36.48 66.01 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.206 -0.906 . . . . 73.41 111.428 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 37.1 mtpt -70.47 -28.26 64.86 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.208 -0.307 . . . . 63.14 110.798 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 t -65.03 -32.5 74.26 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.63 -0.713 . . . . 74.51 111.583 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -77.6 -20.56 53.77 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.913 0.485 . . . . 54.02 111.14 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.93 37.03 1.59 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 123.418 0.449 . . . . 35.01 113.272 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.09 149.46 32.09 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.07 0.548 . . . . 65.24 110.402 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.58 87.45 5.94 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.48 -0.933 . . . . 62.12 108.48 173.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 49' ' ' LEU . 20.2 t -93.89 133.05 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 114.94 -1.027 . . . . 71.01 110.071 -172.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -134.58 147.08 50.17 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.963 0.905 . . . . 73.35 110.21 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -88.99 130.39 35.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.299 1.039 . . . . 74.22 109.746 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.43 169.12 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 124.538 1.135 . . . . 53.25 109.585 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -94.23 -61.71 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.514 0.326 . . . . 75.24 111.623 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -137.28 -175.34 4.02 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.521 0.729 . . . . 63.42 110.494 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 65' ' ' ILE . 6.5 p-10 -66.44 -37.53 85.38 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.89 0.876 . . . . 72.02 111.817 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.27 -36.78 76.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.974 0.416 . . . . 75.31 111.455 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.08 -38.98 79.32 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.27 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.563 HG23 HD12 ' A' ' 33' ' ' LEU . 96.2 mt -60.57 -49.91 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 71.24 110.568 174.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.94 -50.11 71.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.443 1.097 . . . . 72.14 111.485 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.86 -21.32 60.14 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.221 -0.9 . . . . 74.22 111.803 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -68.76 -36.45 78.36 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.734 0.413 . . . . 71.14 110.333 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.65 -36.6 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 122.987 0.515 . . . . 71.42 109.756 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.63 -44.68 93.19 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.419 -0.809 . . . . 63.43 111.562 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 20.8 ptmt -71.11 -25.54 62.64 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.586 -0.245 . . . . 73.05 110.984 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.49 -35.61 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.002 0.521 . . . . 65.42 110.279 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -65.48 -24.19 67.09 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.859 0.464 . . . . 74.12 111.205 174.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -82.87 -41.38 19.05 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.843 0.457 . . . . 61.32 110.687 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.2 mm-40 -66.05 -50.03 65.61 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.308 0.575 . . . . 73.35 111.164 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 87.86 36.28 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 114.858 -1.065 . . . . 73.35 108.439 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.25 -37.02 33.36 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.436 . . . . 74.34 113.696 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.53 -9.85 57.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.708 1.003 . . . . 64.42 113.708 -168.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.59 149.17 30.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.507 0.323 . . . . 51.0 110.289 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -102.06 137.76 39.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.699 0.4 . . . . 64.51 110.834 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 HD11 ' A' ' 5' ' ' ILE . 2.8 t -113.06 126.31 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.436 0.694 . . . . 74.23 109.669 -169.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -110.04 141.45 42.85 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.507 0.723 . . . . 74.21 110.497 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -98.68 114.72 27.34 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.209 -1.034 . . . . 74.45 108.209 169.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 89' ' ' GLN . 78.7 t -115.35 90.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.465 -0.939 . . . . 60.11 108.465 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.689 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 81.4 p -82.24 -21.49 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.558 -0.746 . . . . 73.13 111.943 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.06 160.23 39.56 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.579 0.752 . . . . 64.25 111.133 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -35.02 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 113.868 -1.515 . . . . 73.33 113.12 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.17 -34.81 79.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.41 0.684 . . . . 71.05 111.485 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 52.7 mt-30 -69.1 -36.75 77.89 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.431 0.457 . . . . 72.41 110.598 173.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.77 72.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.085 0.554 . . . . 61.11 111.665 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.96 -39.97 65.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.263 0.625 . . . . 73.01 110.09 175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -64.11 -47.32 80.47 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.588 -0.733 . . . . 73.13 110.913 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 pt -64.24 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.597 0.591 . . . . 63.4 112.597 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.47 -37.0 62.25 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.714 0.406 . . . . 55.45 111.353 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 15.5 mm-40 -84.89 -50.72 7.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.328 0.651 . . . . 72.41 110.978 175.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t70 -42.03 -44.67 3.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.674 1.59 . . . . 53.23 113.78 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 28' ' ' LEU . 11.1 mp -68.91 -23.61 64.2 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.62 0.768 . . . . 71.02 111.927 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -85.06 -39.06 18.42 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.635 0.774 . . . . 74.53 109.594 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 72.1 mmtt -67.06 -71.11 0.21 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.324 0.649 . . . . 72.41 109.683 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 171.87 142.19 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.551 1.54 . . . . 71.5 108.569 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -177.59 49.01 0.1 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.43 -0.668 . . . . 72.22 111.43 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.0 m -105.17 -68.03 0.88 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.425 0.69 . . . . 74.43 111.149 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -95.14 6.62 48.56 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.873 0.694 . . . . 75.21 112.873 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.83 0.29 57.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.409 0.684 . . . . 73.14 111.396 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.07 79.88 0.33 Allowed 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 122.693 1.235 . . . . 64.42 111.3 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.54 62.29 1.56 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.206 -0.906 . . . . 75.41 109.125 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -67.04 125.11 24.96 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 114.821 -1.081 . . . . 74.52 108.807 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -76.5 80.97 3.2 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.778 0.674 . . . . 73.45 111.46 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -100.88 88.64 3.61 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.918 -1.141 . . . . 53.02 107.918 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.89 0.876 . . . . 74.51 109.205 -178.317 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HG3' HD11 ' A' ' 103' ' ' LEU . 22.2 ptp . . . . . 0 C--O 1.245 0.821 0 N-CA-C 109.652 -0.499 . . . . 75.0 109.652 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.98 175.57 29.12 Favored Glycine 0 C--N 1.343 0.928 0 O-C-N 124.022 0.826 . . . . 71.42 113.087 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -83.1 113.49 20.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.391 -0.596 . . . . 62.4 109.391 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HE3' HD13 ' A' ' 28' ' ' LEU . 38.4 ttpt -158.38 142.49 15.69 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.716 0.806 . . . . 63.43 108.917 171.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 29' ' ' GLU . 30.5 pt -125.87 147.86 30.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.371 0.605 . . . . 72.14 109.91 174.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.5 mm -117.72 120.42 64.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.633 -0.877 . . . . 65.34 108.633 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 31' ' ' TYR . 40.2 t -105.16 114.93 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.454 -0.943 . . . . 75.53 108.454 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 23.9 mt -104.24 130.83 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.485 -0.561 . . . . 64.11 109.485 -174.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.66 86.05 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 105.553 -2.017 . . . . 72.04 105.553 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.1 t -77.68 104.73 8.39 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.452 -0.573 . . . . 75.43 109.452 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 p -80.86 -153.9 0.1 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.485 1.114 . . . . 64.34 111.266 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.79 -29.65 68.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.43 1.092 . . . . 75.13 112.671 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.98 150.41 25.66 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.373 0.606 . . . . 64.44 112.059 -171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -90.21 -14.18 33.99 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.439 -1.255 . . . . 74.12 111.234 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.3 m -53.81 -35.41 61.38 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 123.378 0.671 . . . . 71.14 111.732 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.6 -30.21 64.17 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.379 0.272 . . . . 64.22 110.366 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.55 -46.61 58.99 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.303 1.041 . . . . 65.44 111.016 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.96 -39.92 79.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.617 0.367 . . . . 71.25 111.169 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 23' ' ' ILE . 79.1 mt -68.02 -36.02 79.27 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.418 -0.355 . . . . 72.22 110.492 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -52.0 -45.44 64.54 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 70.4 112.914 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -69.57 -33.58 72.93 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.156 -0.929 . . . . 72.45 110.984 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 22' ' ' LYS . 14.0 tptp -80.71 -23.28 39.63 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.609 -0.723 . . . . 73.54 110.959 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.582 HD13 HD11 ' A' ' 93' ' ' ILE . 75.4 mt -65.98 -56.68 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 122.848 0.459 . . . . 63.34 110.245 172.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.9 ptpt -63.19 -20.32 65.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.717 0.636 . . . . 64.43 112.717 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.37 -25.79 60.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.435 1.094 . . . . 75.45 112.059 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.43 -6.76 42.75 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.938 0.895 . . . . 74.3 112.725 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.34 33.59 4.49 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 123.084 0.373 . . . . 41.02 113.271 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD13 ' HE3' ' A' ' 4' ' ' LYS . 1.6 pt? -128.91 176.52 7.8 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.123 0.969 . . . . 63.42 109.154 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 5' ' ' ILE . 16.9 tp10 -98.33 150.8 21.19 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.678 0.391 . . . . 75.05 110.487 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 6' ' ' ILE . 54.5 t -126.24 127.14 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.849 0.86 . . . . 74.34 109.672 174.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' VAL . 1.4 m-85 -102.28 151.88 21.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.052 -1.462 . . . . 74.12 107.052 172.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 56' ' ' VAL . 26.8 mm -125.81 127.73 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.929 -0.767 . . . . 71.35 108.929 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 HG23 ' A' ' 65' ' ' ILE . 36.8 mt -98.76 108.16 20.78 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.147 -0.686 . . . . 63.23 109.147 166.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -88.14 127.79 35.43 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.446 -1.252 . . . . 63.15 109.485 -175.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -126.16 120.33 29.82 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.793 -0.818 . . . . 61.53 108.793 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 12.4 t70 -133.14 147.52 52.09 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.658 -1.608 . . . . 54.02 106.658 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.22 -16.0 63.8 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.666 0.604 . . . . 71.32 111.752 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -119.58 108.8 14.93 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 107.41 -1.33 . . . . 61.31 107.41 171.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -12.83 19.56 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.814 1.042 . . . . 72.34 113.814 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -78.94 -49.42 12.82 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.361 -0.607 . . . . 63.01 109.361 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.95 -32.27 73.67 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.273 -0.876 . . . . 74.11 109.797 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 6.6 tt -54.71 -52.45 62.42 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.98 1.312 . . . . 73.15 109.44 170.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.37 -25.68 63.37 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.242 -0.89 . . . . 62.5 112.279 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.3 mt-10 -66.2 -48.88 69.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.482 -0.562 . . . . 75.11 109.482 170.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.98 -32.5 72.96 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.295 0.997 . . . . 74.31 111.384 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 56' ' ' VAL . 56.2 mt -55.92 -53.71 35.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 123.461 0.704 . . . . 74.3 109.605 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.27 -34.57 78.43 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.645 -0.707 . . . . 75.44 111.98 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 11.4 mmpt? -64.67 -46.0 84.31 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.389 0.614 . . . . 74.3 110.635 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 56' ' ' VAL . 98.9 mt -72.59 -38.63 67.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.896 -1.047 . . . . 65.23 111.249 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.0 mtpt -66.81 -27.55 67.66 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.003 -0.435 . . . . 75.31 111.768 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 m -58.62 -34.76 71.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.838 0.455 . . . . 75.01 111.974 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.07 -12.69 60.01 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.277 0.631 . . . . 73.42 111.381 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.79 55.7 1.06 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 112.081 -0.408 . . . . 72.41 112.081 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.04 161.42 24.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.777 0.831 . . . . 73.12 109.479 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -102.31 96.12 6.74 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.37 -0.974 . . . . 72.33 108.37 167.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 49' ' ' LEU . 15.3 t -102.91 139.48 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.532 0.733 . . . . 71.01 109.441 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -135.36 146.5 48.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.778 0.831 . . . . 71.5 110.046 -173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -91.58 131.53 36.93 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.013 0.925 . . . . 72.52 109.427 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.68 152.31 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.151 0.981 . . . . 75.35 109.034 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -24.69 38.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.574 0.35 . . . . 73.35 111.481 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -167.49 165.8 14.56 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.022 0.529 . . . . 75.34 111.321 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 24.4 t70 -66.44 -35.45 80.33 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.53 1.132 . . . . 74.2 111.91 177.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.69 -39.15 73.31 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.861 -0.609 . . . . 64.23 110.903 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.47 -35.65 75.81 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.342 -0.845 . . . . 75.3 110.403 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 33' ' ' LEU . 32.7 mt -54.13 -50.14 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 124.266 0.979 . . . . 71.41 111.733 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.19 -39.34 92.39 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.246 0.218 . . . . 71.11 111.277 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -33.67 74.29 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 123.561 0.538 . . . . 61.31 110.605 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -64.44 -40.17 95.24 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.79 1.236 . . . . 72.11 109.882 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.599 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -40.13 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.516 0.727 . . . . 71.21 110.072 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 18.3 t70 -57.62 -43.87 85.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.107 0.963 . . . . 75.23 111.223 -173.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 8.2 ptpp? -68.56 -42.38 78.43 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.233 -0.894 . . . . 63.24 111.459 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.67 -33.81 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 123.122 0.569 . . . . 72.25 111.359 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 58.5 mtmt -60.52 -33.54 72.79 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.536 0.334 . . . . 71.33 110.881 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.85 -45.92 16.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.112 0.965 . . . . 51.41 110.364 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 37.3 mm-40 -56.71 -55.37 35.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.248 1.019 . . . . 62.42 110.062 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -121.53 81.18 39.31 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 114.588 -1.187 . . . . 64.12 107.895 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.53 -5.85 17.47 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.682 2.255 . . . . 71.1 112.194 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.81 -20.42 63.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.235 1.014 . . . . 63.53 111.936 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -126.3 150.71 48.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.622 0.769 . . . . 60.44 111.364 -174.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.477 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 25.5 mm-40 -84.55 149.78 25.67 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.822 -0.807 . . . . 62.52 108.822 172.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.26 106.32 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 108.046 -1.094 . . . . 33.1 108.046 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -103.8 134.56 46.89 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.364 0.666 . . . . 75.23 109.573 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HG2' HG12 ' A' ' 69' ' ' ILE . 27.2 mtmm -94.09 111.09 22.77 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.41 -0.589 . . . . 75.11 109.41 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 90' ' ' ALA . 59.0 t -98.29 91.21 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.326 -0.99 . . . . 73.52 108.326 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.6 p -84.68 -16.95 40.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.842 -1.072 . . . . 73.12 111.42 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.45 152.22 51.66 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.108 0.963 . . . . 74.24 109.351 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -30.16 59.99 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.174 0.59 . . . . 73.41 110.959 169.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.92 -42.42 93.91 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.163 1.385 . . . . 63.15 111.424 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HB2' HG13 ' A' ' 84' ' ' VAL . 20.5 mm-40 -60.91 -40.94 95.03 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.972 0.795 . . . . 62.34 110.711 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.27 -39.21 89.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.456 0.702 . . . . 72.31 111.956 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -70.1 -34.26 72.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.631 0.772 . . . . 64.11 110.595 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.78 -50.99 37.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.576 -0.738 . . . . 64.02 110.076 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 23' ' ' ILE . 24.6 pt -64.45 -28.65 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.017 0.376 . . . . 72.41 112.017 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 33.3 mt -54.62 -54.55 40.06 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.927 0.331 . . . . 74.33 111.202 171.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 6.8 pt-20 -74.37 -27.26 60.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.282 0.364 . . . . 72.11 110.991 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 19.4 t70 -64.76 -45.23 87.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.956 0.902 . . . . 74.25 110.757 -176.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.1 mp -67.18 -21.78 65.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.944 -0.571 . . . . 70.52 110.944 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.3 mmmt -81.5 -35.96 29.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.828 0.451 . . . . 64.14 110.415 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 9.0 mtpm? -58.28 -45.97 86.92 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.074 -0.966 . . . . 72.3 109.251 172.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.6 tptt 168.93 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.386 1.875 . . . . 73.52 108.15 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.8 -112.6 3.66 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 109.761 -1.336 . . . . 43.41 109.761 -165.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.6 p -175.17 -67.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.432 0.693 . . . . 63.4 110.493 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.44 HD11 ' HG3' ' A' ' 1' ' ' MET . 96.0 mt 72.57 -66.48 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.256 1.823 . . . . 72.13 109.066 -170.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 47.14 32.38 2.0 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.586 1.554 . . . . 73.42 113.462 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -86.6 77.97 9.27 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.566 0.698 . . . . 72.41 110.679 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -82.29 152.75 26.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.128 -1.064 . . . . 54.33 108.128 166.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.9 t60 78.59 -11.97 1.14 Allowed 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 125.331 1.452 . . . . 70.23 110.929 -169.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -95.4 100.45 12.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.379 1.071 . . . . 70.43 109.441 -176.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.55 -32.92 9.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.693 0.797 . . . . 60.21 109.643 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 123.513 0.725 . . . . 72.01 109.472 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 108.72 -0.844 . . . . 70.33 108.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.85 48.13 3.47 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.48 -0.648 . . . . 73.11 111.48 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -77.67 107.07 9.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.654 0.781 . . . . 74.23 109.932 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.2 ttpp -166.16 135.03 3.07 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.201 -1.037 . . . . 72.42 108.201 174.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG22 ' A' ' 81' ' ' VAL . 40.6 pt -119.27 149.3 21.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-O 121.636 0.732 . . . . 75.42 110.385 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -119.92 111.61 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 108.246 -1.02 . . . . 62.43 108.246 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 69' ' ' ILE . 71.2 t -87.64 118.53 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.832 0.853 . . . . 52.14 109.407 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 56.1 mt -111.72 126.86 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.261 0.624 . . . . 73.23 109.393 -177.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -96.95 93.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 105.823 -1.917 . . . . 65.11 105.823 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.525 ' HB2' HD22 ' A' ' 34' ' ' LEU . 42.5 m -101.43 121.97 42.9 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.568 -0.901 . . . . 71.12 108.568 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 p -138.69 113.53 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.904 -1.044 . . . . 74.15 109.326 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 75.49 -61.22 0.48 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.633 1.573 . . . . 74.15 112.508 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.26 136.98 52.69 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.98 0.912 . . . . 75.12 111.355 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -90.49 -21.34 21.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.539 0.736 . . . . 51.13 112.4 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.5 m -56.94 -36.1 69.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.743 0.417 . . . . 75.54 111.728 -175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.76 -30.81 71.12 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.011 0.524 . . . . 63.41 110.902 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.27 -36.34 66.33 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.581 1.152 . . . . 70.01 110.329 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.17 -36.47 64.07 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.617 -0.72 . . . . 65.1 110.652 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 94' ' ' LEU . 93.9 mt -74.11 -27.31 60.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.577 0.751 . . . . 62.24 110.062 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.82 76.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.116 0.967 . . . . 73.43 111.521 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -62.29 -43.19 99.39 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.011 -0.995 . . . . 71.35 111.0 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 11.4 mmpt? -63.28 -35.17 79.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.85 0.46 . . . . 72.33 111.255 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.614 HG22 HD11 ' A' ' 28' ' ' LEU . 80.2 mt -73.88 -32.75 35.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.893 0.877 . . . . 72.55 111.923 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HE3' ' CE1' ' A' ' 54' ' ' PHE . 16.5 ptpt -75.42 -22.16 57.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.447 -0.783 . . . . 71.32 110.604 174.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.67 -10.27 59.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.314 0.645 . . . . 71.41 111.599 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -77.49 -1.93 32.92 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.335 0.654 . . . . 72.44 110.911 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 29.4 29.69 Favored Glycine 0 C--N 1.353 1.476 0 C-N-CA 122.944 0.307 . . . . 52.34 112.777 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -128.57 166.94 17.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.807 0.443 . . . . 74.23 111.547 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.06 130.36 34.52 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.947 0.899 . . . . 60.1 109.963 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -109.09 131.25 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.758 0.823 . . . . 73.51 110.06 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HB2' HG22 ' A' ' 7' ' ' VAL . 4.5 m-30 -104.93 140.71 37.76 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 107.409 -1.33 . . . . 55.2 107.409 174.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.7 mm -123.61 120.91 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 108.605 -0.887 . . . . 71.14 108.605 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 65' ' ' ILE . 33.1 mt -102.58 106.6 17.31 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.314 -0.995 . . . . 52.14 108.314 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.2 OUTLIER -97.54 132.99 42.71 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.331 -0.989 . . . . 74.32 108.331 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -139.07 129.58 25.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.164 0.586 . . . . 75.45 109.944 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 36.3 t70 -133.28 168.95 17.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.432 1.093 . . . . 53.34 109.906 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -55.38 -37.1 67.12 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.783 1.233 . . . . 61.41 112.192 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 40' ' ' LYS . 14.0 t70 -133.58 129.92 37.67 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.99 0.516 . . . . 74.42 110.492 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -62.72 -28.87 70.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.881 1.808 . . . . 72.33 115.881 -173.411 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' OD1' ' A' ' 38' ' ' ASP . 5.4 ptpp? -81.68 -34.8 30.49 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.751 1.159 . . . . 73.44 109.984 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -65.8 -38.31 88.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.921 0.889 . . . . 74.25 110.373 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 13.5 tp -55.84 -45.03 78.52 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.662 1.585 . . . . 72.45 111.997 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.39 -18.3 63.04 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.68 0.612 . . . . 73.15 111.724 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -68.32 -51.81 40.5 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.373 -0.602 . . . . 70.54 109.373 173.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.92 -42.14 88.96 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.555 -1.202 . . . . 74.41 110.899 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.473 ' HA ' HG11 ' A' ' 56' ' ' VAL . 67.2 mt -55.63 -50.48 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.297 1.039 . . . . 63.35 111.277 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -70.07 -28.78 65.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.747 0.419 . . . . 74.5 112.003 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.3 -38.0 84.29 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.815 0.446 . . . . 74.33 111.433 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' ' 56' ' ' VAL . 92.1 mt -80.58 -31.38 36.82 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.869 -0.605 . . . . 74.02 111.452 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -65.69 -35.06 79.68 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.068 0.547 . . . . 54.41 111.047 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -29.86 70.26 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.692 0.797 . . . . 75.21 111.388 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -85.71 3.33 41.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.828 0.851 . . . . 73.21 111.902 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.32 41.23 9.38 Favored Glycine 0 C--N 1.346 1.102 0 C-N-CA 122.74 0.21 . . . . 53.14 113.46 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 24' ' ' LYS . 96.3 m-85 -114.54 141.79 47.26 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.46 0.704 . . . . 55.51 109.654 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.39 81.91 4.7 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 108.937 -0.764 . . . . 74.44 108.937 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 49' ' ' LEU . 4.4 t -100.43 135.62 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.132 0.573 . . . . 73.4 110.307 -171.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 68' ' ' TRP . 3.5 mmp_? -133.66 161.22 35.24 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.561 0.744 . . . . 71.33 112.099 -167.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.55 117.1 29.6 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 113.967 -1.47 . . . . 75.25 107.949 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.62 162.96 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.38 0.672 . . . . 70.54 109.767 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -86.62 -65.91 0.96 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.238 0.615 . . . . 72.05 109.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.71 -170.16 3.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.29 -1.323 . . . . 62.43 108.157 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 35.5 t70 -70.07 -18.36 63.27 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.367 0.667 . . . . 74.14 111.961 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.76 -45.93 48.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.82 0.448 . . . . 74.43 110.219 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.72 -34.7 78.93 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.422 0.63 . . . . 70.0 110.556 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 87.3 mt -66.74 -37.56 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 114.037 -1.438 . . . . 51.14 110.147 175.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.79 -46.86 87.89 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.699 0.8 . . . . 63.35 111.398 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.53 -32.11 72.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.991 0.516 . . . . 75.43 110.224 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 57' ' ' ARG . 8.1 t90 -67.94 -42.89 80.29 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.396 -0.82 . . . . 72.42 110.774 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -75.95 -32.87 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.923 0.489 . . . . 63.12 110.175 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.97 -53.75 53.09 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.693 0.797 . . . . 64.24 111.246 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.69 -37.69 85.08 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.554 0.534 . . . . 72.24 111.497 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.56 -45.32 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.69 0.796 . . . . 71.4 110.607 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HE3' HG23 ' A' ' 81' ' ' VAL . 5.7 mmpt? -65.08 -34.15 77.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.031 0.532 . . . . 72.2 112.133 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -76.28 -42.28 46.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.517 0.727 . . . . 75.12 111.521 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -80.48 -46.62 15.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.869 0.867 . . . . 73.22 111.22 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -124.28 92.26 48.41 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.541 0.737 . . . . 72.5 109.857 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.83 -168.15 0.59 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.707 2.271 . . . . 53.43 110.503 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 73.06 -24.1 0.2 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.28 1.432 . . . . 75.33 113.051 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -105.64 131.44 53.01 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.125 -1.065 . . . . 73.41 108.125 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -85.59 144.62 27.78 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.074 -0.343 . . . . 63.54 110.074 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 HD11 ' A' ' 5' ' ' ILE . 42.6 t -117.17 124.88 73.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 124.108 0.963 . . . . 71.25 108.988 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -120.85 112.52 18.91 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.985 0.914 . . . . 74.45 108.793 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.4 mtmt -75.63 124.96 28.11 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.981 0.801 . . . . 74.41 109.737 171.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 89.2 t -114.04 88.49 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 62.12 108.001 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.2 p -79.92 -36.23 36.68 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 120.621 0.248 . . . . 75.13 110.751 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -116.66 153.25 32.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.376 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -55.71 -38.64 69.99 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.868 1.267 . . . . 65.5 112.163 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.59 -37.44 58.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.332 1.053 . . . . 74.34 112.342 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' HG13 ' A' ' 84' ' ' VAL . 66.4 mt-30 -71.59 -40.52 69.81 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.309 -0.86 . . . . 70.42 110.646 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -62.6 -37.24 85.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.645 0.778 . . . . 62.12 111.269 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.12 -35.6 56.18 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.604 0.761 . . . . 75.13 110.983 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -71.25 -43.91 66.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.557 0.343 . . . . 74.21 111.1 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 26.7 pt -65.05 -25.88 38.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 112.43 0.53 . . . . 74.12 112.43 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -56.0 -39.09 71.37 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.051 0.387 . . . . 71.11 111.302 170.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.47 -37.49 56.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.417 1.087 . . . . 65.23 110.797 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 27.8 t70 -68.26 -37.66 80.97 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.267 1.027 . . . . 74.21 111.961 -172.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.5 mp -75.76 -19.47 59.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.788 0.835 . . . . 75.12 110.533 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 46.8 mmtm -78.63 -41.73 30.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.691 . . . . 75.21 109.169 170.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.81 -34.39 76.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.452 1.101 . . . . 72.5 112.369 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.1 OUTLIER 65.59 19.44 11.48 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 124.324 1.05 . . . . 33.22 110.217 -167.464 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.55 28.27 8.57 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 115.996 -0.547 . . . . 63.25 113.076 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.8 m -65.38 -15.9 63.05 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.801 1.24 . . . . 72.54 112.615 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.8 -60.01 2.85 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.379 1.072 . . . . 63.01 110.248 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.78 -23.84 60.85 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.134 -0.484 . . . . 72.23 111.205 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -71.79 -22.65 61.55 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.572 0.749 . . . . 72.4 111.681 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 157.15 37.89 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.702 0.287 . . . . 73.04 110.784 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -116.48 146.8 42.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.665 -0.865 . . . . 73.54 108.665 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -68.24 89.02 0.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.771 . . . . 71.32 109.374 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -95.33 178.68 5.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.127 0.971 . . . . 64.42 111.004 -176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.228 -1.027 . . . . 73.53 108.228 171.334 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.059 -0.719 . . . . 73.14 109.059 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.61 -64.37 4.31 Favored Glycine 0 C--N 1.349 1.297 0 N-CA-C 111.961 -0.456 . . . . 33.04 111.961 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -71.09 85.41 0.73 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 108.897 -0.779 . . . . 73.53 108.897 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 17.3 ttmm -98.34 132.43 43.82 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 107.98 -1.119 . . . . 72.24 107.98 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' HB3' ' A' ' 29' ' ' GLU . 23.5 pt -110.89 139.25 35.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-O 121.577 0.703 . . . . 74.4 109.181 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mm -113.49 130.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.124 -1.065 . . . . 64.02 108.124 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 69' ' ' ILE . 54.4 t -112.59 110.13 31.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 108.421 -0.955 . . . . 72.32 108.421 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.474 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 68.4 mt -103.69 124.23 57.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 C-N-CA 124.622 1.169 . . . . 51.23 109.494 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG12 HG21 ' A' ' 65' ' ' ILE . 2.9 mp -93.12 101.05 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.669 -1.604 . . . . 72.24 106.669 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.433 ' HB3' HD22 ' A' ' 34' ' ' LEU . 36.3 t -98.02 104.07 16.07 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.224 -1.028 . . . . 65.41 108.224 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -89.62 73.35 7.72 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.761 -0.829 . . . . 63.43 108.761 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.85 22.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.198 1.799 . . . . 64.22 114.049 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.06 -178.87 7.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.996 0.918 . . . . 54.34 110.962 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -109.07 -48.29 3.29 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 124.282 1.033 . . . . 73.01 110.722 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -56.09 -42.74 77.2 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.966 1.098 . . . . 74.13 113.966 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.55 -20.72 58.46 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 122.123 -0.361 . . . . 73.51 110.593 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.05 -53.01 16.21 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 120.889 0.376 . . . . 72.25 110.287 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.28 -36.38 82.81 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.072 -0.513 . . . . 74.24 110.906 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.94 -36.52 83.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.192 0.597 . . . . 71.54 110.715 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.63 -35.39 65.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.088 0.955 . . . . 41.32 112.492 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -66.16 -41.61 90.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.532 0.733 . . . . 70.12 111.121 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -36.0 72.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.526 0.73 . . . . 74.11 111.147 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 93' ' ' ILE . 87.3 mt -65.37 -47.34 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.984 0.914 . . . . 74.41 110.933 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 11.7 ptpt -71.85 -21.31 61.69 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.666 0.247 . . . . 72.1 111.666 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.84 -14.64 62.92 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.9 0.88 . . . . 73.34 111.413 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.745 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.5 mm-40 -85.24 5.87 28.44 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.642 0.777 . . . . 72.04 110.837 174.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.9 5.17 64.55 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.324 0.488 . . . . 34.52 112.559 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD11 HD21 ' A' ' 97' ' ' LEU . 16.2 mt -78.4 143.66 36.6 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.931 0.493 . . . . 73.44 110.635 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' ILE . 43.5 tt0 -89.2 118.12 28.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.288 -1.004 . . . . 73.54 108.288 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -116.96 125.75 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.055 0.542 . . . . 72.24 110.85 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -105.6 132.87 51.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.225 1.41 . . . . 71.4 107.283 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' HG22 ' A' ' 56' ' ' VAL . 19.1 mm -109.32 124.65 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.934 -0.765 . . . . 72.23 108.934 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 59' ' ' VAL . 50.0 mt -96.46 110.87 23.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.012 -0.736 . . . . 74.21 109.012 171.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -100.79 128.15 46.95 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.815 -1.084 . . . . 75.54 108.821 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 137.11 38.41 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.679 -0.86 . . . . 70.21 108.679 166.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 17.4 t70 -131.3 171.47 13.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.874 1.27 . . . . 64.12 108.035 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.94 -17.77 56.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.428 0.291 . . . . 52.51 111.008 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -143.49 140.08 30.14 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.792 0.806 . . . . 72.55 111.244 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.55 -28.95 69.7 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 113.74 -1.573 . . . . 62.54 113.751 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -78.71 -38.41 39.11 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.215 0.461 . . . . 74.11 111.925 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -72.69 -34.94 67.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.101 -0.703 . . . . 70.34 109.101 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 22.5 tp -56.65 -54.8 41.91 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.674 -1.148 . . . . 64.45 111.788 174.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.41 -31.61 70.54 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.855 0.862 . . . . 63.21 111.023 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.1 mm-40 -60.63 -62.37 1.91 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.837 -0.431 . . . . 75.21 109.837 173.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -55.09 -38.86 68.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.612 1.165 . . . . 63.21 112.097 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.6 mt -56.96 -57.22 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.863 0.727 . . . . 72.42 110.049 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -67.16 -28.2 67.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.342 -0.845 . . . . 73.2 112.297 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 66.4 mmtt -66.21 -52.66 45.78 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.17 -0.678 . . . . 75.11 109.17 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 80.6 mt -66.53 -29.65 69.79 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.153 -0.93 . . . . 74.13 111.844 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 45.6 mtpt -73.0 -35.22 66.8 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.17 0.441 . . . . 74.24 111.115 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -63.27 -33.7 76.07 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.27 0.628 . . . . 74.22 110.633 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -70.42 -21.26 62.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.64 0.776 . . . . 62.4 111.437 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.6 20.98 6.66 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 113.949 0.34 . . . . 54.32 113.949 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 88.1 m-85 -103.33 137.88 40.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.576 0.75 . . . . 75.32 109.438 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.35 89.31 6.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.112 -0.699 . . . . 74.04 109.112 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.8 t -99.72 132.53 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.533 -0.758 . . . . 61.02 109.771 -175.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.05 153.16 48.05 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 123.415 0.686 . . . . 75.34 110.795 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HG3' HD21 ' A' ' 42' ' ' LEU . 63.6 tttm -89.94 127.41 36.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.998 -1.455 . . . . 74.24 109.587 -173.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 33' ' ' LEU . 6.5 m -114.94 151.18 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.834 0.854 . . . . 71.4 110.401 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -66.41 -74.8 0.1 Allowed 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.799 0.687 . . . . 73.31 109.809 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.36 -178.15 4.13 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.953 0.901 . . . . 63.24 109.357 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 65' ' ' ILE . 14.9 m-20 -66.2 -34.08 77.21 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.802 -0.444 . . . . 74.23 109.802 167.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.4 -48.11 13.57 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 114.68 -1.145 . . . . 65.13 111.269 163.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 33.4 t70 -81.95 -19.9 39.69 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.913 0.485 . . . . 63.11 110.724 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 62' ' ' ASP . 60.6 mt -64.25 -55.48 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.338 0.655 . . . . 75.22 110.375 172.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.52 -34.05 77.32 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.097 0.475 . . . . 75.42 110.349 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 64' ' ' ASP . 33.2 ttpt -71.12 -29.19 64.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.325 1.05 . . . . 65.2 110.718 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.491 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.6 t90 -68.36 -42.4 79.27 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 123.288 0.635 . . . . 74.13 109.816 174.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -72.37 -30.78 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 108.99 -0.744 . . . . 73.11 108.99 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.05 -50.54 70.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.932 0.893 . . . . 65.34 111.081 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.15 -35.36 71.65 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.345 0.403 . . . . 70.32 110.93 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -63.33 -43.36 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 122.735 0.414 . . . . 75.24 111.267 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.08 -33.95 76.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.44 0.696 . . . . 74.4 110.676 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -72.69 -36.35 67.85 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.231 1.012 . . . . 75.21 110.785 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.27 -34.5 36.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.108 0.963 . . . . 73.24 110.267 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -128.94 71.45 81.78 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 124.161 0.984 . . . . 71.04 109.613 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.27 4.59 6.96 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.466 2.111 . . . . 70.32 112.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.75 -11.99 46.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.912 0.885 . . . . 74.24 111.707 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.34 176.04 6.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.368 0.667 . . . . 74.23 110.885 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.575 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 4.3 pt-20 -120.58 127.1 51.82 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.041 0.936 . . . . 73.31 109.467 -173.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.05 136.24 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.5 1.12 . . . . 63.13 109.662 -173.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.2 tpt180 -118.48 136.92 53.53 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.642 0.777 . . . . 65.43 109.881 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HG2' HG12 ' A' ' 69' ' ' ILE . 29.9 mtmm -92.55 116.77 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 72.55 108.916 171.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 65.1 t -105.8 90.85 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 123.914 0.886 . . . . 72.01 108.763 175.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.412 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 40.3 p -92.67 -20.68 20.58 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.795 0.438 . . . . 75.42 110.821 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -117.25 151.73 36.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.517 1.127 . . . . 75.34 108.992 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -32.47 71.42 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.889 0.476 . . . . 73.2 109.934 166.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.69 -50.94 41.7 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 124.827 1.251 . . . . 74.2 109.977 171.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -59.49 -43.16 93.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.303 1.002 . . . . 73.35 111.291 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.9 -32.67 74.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.294 0.638 . . . . 65.53 111.894 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -78.9 -35.37 43.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.54 0.736 . . . . 71.52 110.802 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -69.27 -45.18 70.3 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.516 0.727 . . . . 73.11 111.295 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 23' ' ' ILE . 37.5 pt -61.86 -33.68 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.832 0.707 . . . . 74.12 112.051 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.69 -40.26 68.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.015 0.371 . . . . 72.21 110.434 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.58 -34.91 58.43 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 75.04 111.072 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 80.5 m-20 -68.81 -22.34 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.56 0.744 . . . . 70.51 110.682 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.745 HD23 ' HG3' ' A' ' 26' ' ' GLU . 1.7 mp -72.1 -42.49 66.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.407 1.083 . . . . 74.34 109.953 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.79 -45.62 28.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.777 -0.647 . . . . 65.22 110.837 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 96' ' ' ASP . 16.7 ptpt -74.17 -3.12 27.8 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.367 -0.833 . . . . 63.21 111.224 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt 45.9 51.21 10.78 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.334 1.854 . . . . 64.52 112.449 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.85 117.26 9.72 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 114.13 -1.395 . . . . 75.14 111.94 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 p -62.23 159.42 14.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.168 0.987 . . . . 72.25 111.987 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.73 -26.79 65.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.102 0.561 . . . . 62.1 111.18 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 138.94 48.69 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 106.873 -1.528 . . . . 54.51 106.873 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -96.46 61.57 1.98 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.982 0.42 . . . . 72.34 110.429 -171.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 58.69 29.15 18.2 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.736 1.214 . . . . 75.42 111.237 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -72.26 -11.41 60.7 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.797 0.439 . . . . 72.34 111.247 -174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -48.94 -44.58 40.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.424 1.09 . . . . 74.32 109.957 169.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 68.17 168.92 0.27 Allowed 'General case' 0 N--CA 1.486 1.34 0 O-C-N 124.645 1.215 . . . . 62.44 112.088 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.253 1.277 0 N-CA-C 109.218 -0.66 . . . . 71.13 109.218 172.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.615 -0.142 . . . . 72.22 110.615 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.63 -71.77 1.82 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 110.54 -1.024 . . . . 70.43 110.54 -172.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -142.35 154.8 44.96 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.43 1.092 . . . . 72.04 109.233 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 79.4 tttt -132.33 152.47 51.39 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 106.468 -1.679 . . . . 73.51 106.468 160.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 79' ' ' LEU . 49.5 pt -129.4 147.04 33.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.996 0.903 . . . . 73.31 111.708 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.32 122.89 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 113.933 -1.485 . . . . 75.3 107.218 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 69' ' ' ILE . 76.3 t -109.11 112.23 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 108.181 -1.044 . . . . 75.4 108.181 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.4 mt -106.55 122.19 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.551 0.74 . . . . 62.33 109.864 -173.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 HD12 ' A' ' 65' ' ' ILE . 3.1 mp -89.13 99.45 9.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 105.89 -1.892 . . . . 65.52 105.89 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -90.59 111.02 22.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.121 0.486 . . . . 61.21 110.266 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 m -123.31 113.29 18.67 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.679 -1.23 . . . . 71.51 107.679 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.65 -78.28 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.114 1.366 . . . . 65.33 112.225 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.78 134.42 49.72 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 61.54 112.886 -165.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -85.16 -22.93 28.6 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.82 1.248 . . . . 60.22 112.751 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -63.76 -25.63 68.27 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.657 0.614 . . . . 71.12 112.657 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.1 -42.28 94.36 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.244 0.545 . . . . 75.44 110.026 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.96 -29.42 58.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.644 1.178 . . . . 71.15 110.705 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -66.67 -46.53 75.38 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.879 -0.6 . . . . 62.41 109.514 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 94' ' ' LEU . 95.7 mt -64.68 -32.9 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.181 0.992 . . . . 73.12 110.685 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -59.94 -33.24 71.63 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.186 0.994 . . . . 72.35 111.735 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -72.16 -25.2 61.6 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.245 -0.888 . . . . 75.34 110.958 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 12.8 mptt -79.6 -38.15 34.6 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.464 0.306 . . . . 61.34 110.412 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 20' ' ' ALA . 97.5 mt -58.61 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.001 0.92 . . . . 74.33 110.571 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -56.98 -24.32 52.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 113.068 0.766 . . . . 73.53 113.068 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.67 -19.58 65.81 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.117 0.967 . . . . 71.45 111.979 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' HD23 ' A' ' 97' ' ' LEU . 25.7 mm-40 -77.78 -4.44 46.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.502 0.721 . . . . 42.02 112.035 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.43 32.99 9.7 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.182 0.301 . . . . 75.51 113.569 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -127.28 147.96 50.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.853 0.861 . . . . 64.0 109.165 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 5' ' ' ILE . 29.8 tt0 -76.17 142.51 41.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.244 0.618 . . . . 63.13 110.392 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 20' ' ' ALA . 58.0 t -121.94 127.97 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.939 0.496 . . . . 61.01 109.892 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HE2' HG21 ' A' ' 5' ' ' ILE . 80.2 m-85 -104.04 141.45 36.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.02 -1.104 . . . . 74.21 108.02 175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -122.62 111.68 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 108.081 -1.081 . . . . 74.35 108.081 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 mt -90.8 109.09 20.29 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.421 0.688 . . . . 75.32 109.168 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD23 HG13 ' A' ' 56' ' ' VAL . 4.5 mm? -85.95 122.31 29.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.172 0.589 . . . . 73.42 110.089 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -149.17 115.65 5.86 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.919 0.888 . . . . 70.11 108.897 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' HD13 ' A' ' 42' ' ' LEU . 24.9 t70 -135.63 171.9 13.79 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.66 0.784 . . . . 72.34 109.245 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 4.3 mptt -64.0 -29.74 70.87 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.012 0.525 . . . . 75.31 110.66 175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.93 117.92 26.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.081 0.953 . . . . 42.44 110.099 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.39 -19.33 62.28 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.667 1.187 . . . . 64.21 113.811 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.09 -59.27 4.31 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.261 0.482 . . . . 72.11 111.092 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.3 ttt-85 -76.11 -21.57 56.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.404 0.681 . . . . 70.25 110.592 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' HB2' ' A' ' 36' ' ' ASP . 46.5 tp -59.82 -38.12 81.11 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.479 0.712 . . . . 74.23 110.755 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 30.0 tt0 -77.96 -30.72 50.5 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.63 -0.714 . . . . 73.23 112.322 -174.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -66.19 -33.57 76.05 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.782 -0.451 . . . . 73.54 109.782 177.165 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.54 -32.0 73.08 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 115.49 -0.777 . . . . 71.35 110.826 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 43' ' ' GLU . 58.1 mt -59.2 -40.84 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.368 0.667 . . . . 72.3 109.804 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -67.24 -43.24 82.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.809 -0.632 . . . . 75.41 110.232 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -57.38 -41.95 81.18 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.917 0.887 . . . . 64.32 111.709 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.0 mt -77.08 -33.41 57.05 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.44 -0.8 . . . . 75.45 112.292 -175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.89 -33.86 75.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.239 0.216 . . . . 71.54 110.656 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -61.29 -34.33 75.03 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.899 0.48 . . . . 70.14 111.502 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -83.74 -4.62 58.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.293 0.637 . . . . 70.13 111.945 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.27 46.31 8.23 Favored Glycine 0 C--N 1.347 1.159 0 O-C-N 122.959 0.162 . . . . 24.54 113.133 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -104.43 143.16 33.38 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.124 0.57 . . . . 61.51 110.19 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 91.03 6.28 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.173 -1.417 . . . . 74.44 107.173 172.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 HD23 ' A' ' 34' ' ' LEU . 49.3 t -93.88 132.84 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.762 -1.108 . . . . 55.22 110.583 -171.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 129.65 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.706 -0.849 . . . . 70.04 108.706 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.94 131.03 34.75 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.328 -0.99 . . . . 73.44 108.328 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 65' ' ' ILE . 19.0 m -121.14 169.35 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.393 0.677 . . . . 73.12 109.932 -176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 10.2 mmpt? -93.85 -69.34 0.75 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 122.924 0.489 . . . . 73.13 110.004 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.29 176.04 8.86 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.152 0.581 . . . . 61.05 110.837 -169.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.79 -33.64 72.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.073 0.949 . . . . 70.21 112.067 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.43 -36.97 62.11 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.858 0.463 . . . . 54.11 111.244 165.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.19 -32.13 55.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.247 0.619 . . . . 73.25 111.469 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 59' ' ' VAL . 8.9 mm -63.59 -54.08 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 123.692 0.797 . . . . 74.54 110.453 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.99 -38.99 80.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.46 1.104 . . . . 75.32 110.905 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -67.1 -39.34 86.69 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.47 -1.241 . . . . 63.02 110.446 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -61.87 -44.46 96.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.19 0.996 . . . . 72.3 111.124 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -74.54 -37.28 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 115.9 -0.591 . . . . 73.33 109.863 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.54 -45.44 91.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.526 0.731 . . . . 73.24 110.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -74.81 -26.6 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.168 -0.469 . . . . 55.03 110.98 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.42 -35.17 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 C-N-CA 122.803 0.441 . . . . 73.34 111.235 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.09 -26.79 68.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.574 0.35 . . . . 73.14 110.953 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -81.6 -37.5 27.54 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.707 0.803 . . . . 64.45 110.195 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 17.8 mm-40 -64.34 -51.83 61.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.298 0.57 . . . . 64.23 110.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -137.42 88.65 16.69 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.308 1.043 . . . . 75.32 108.573 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.63 -7.81 19.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.657 2.238 . . . . 64.01 113.695 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.95 -28.07 69.27 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.597 0.962 . . . . 64.34 113.597 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -113.4 155.19 25.69 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.493 0.923 . . . . 71.45 113.493 -164.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.555 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 52.1 mt-10 -80.0 147.21 31.64 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.396 -1.275 . . . . 73.21 108.495 168.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.91 122.86 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.202 -0.666 . . . . 72.44 109.202 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -113.01 136.73 52.37 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.791 -0.818 . . . . 64.53 108.791 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HG2' HG12 ' A' ' 69' ' ' ILE . 34.5 mtmm -99.4 117.36 33.66 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.158 -1.053 . . . . 71.04 108.158 171.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 90' ' ' ALA . 99.1 t -109.56 92.38 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.028 -0.73 . . . . 74.02 109.028 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.4 p -87.64 -16.17 35.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.655 -0.702 . . . . 64.11 111.344 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -137.73 149.55 46.57 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.656 0.782 . . . . 74.41 110.302 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.61 -36.95 57.36 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.073 1.349 . . . . 74.32 112.484 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 14.7 t70 -49.56 -46.21 48.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.547 1.139 . . . . 63.42 112.032 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.25 -34.24 74.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.108 0.563 . . . . 53.32 111.212 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.91 -35.61 80.39 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.58 0.55 . . . . 73.22 111.005 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.22 -38.32 75.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.813 0.845 . . . . 65.54 111.047 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 16.5 mm100 -77.36 -35.21 54.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.819 0.448 . . . . 55.22 111.472 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.482 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 14.2 pt -72.36 -23.37 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 112.184 0.438 . . . . 60.04 112.184 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -53.92 -31.12 49.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 120.633 0.254 . . . . 64.01 110.342 166.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.68 ' HB3' ' HE2' ' A' ' 99' ' ' LYS . 67.2 mt-10 -78.85 -54.38 6.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.442 0.697 . . . . 75.42 110.292 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t70 -43.32 -43.36 4.95 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.991 1.316 . . . . 35.23 114.148 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 93' ' ' ILE . 6.5 mp -66.77 -26.63 67.06 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.68 0.792 . . . . 73.04 111.646 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -86.51 -56.9 3.21 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.438 1.095 . . . . 61.55 111.195 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' ' 95' ' ' GLU . 67.2 mttm -62.51 -57.15 12.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.871 1.268 . . . . 63.51 112.457 -174.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -69.57 92.24 0.63 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.66 0.6 . . . . 73.24 110.133 -171.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.5 47.75 1.0 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.452 -1.459 . . . . 44.34 109.452 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.7 t -136.73 176.34 8.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.066 -1.067 . . . . 64.33 108.762 -176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.5 54.06 2.62 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.399 -0.963 . . . . 62.22 108.399 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.73 95.95 2.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.088 -0.96 . . . . 74.52 109.825 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -78.16 118.14 20.11 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.966 -0.753 . . . . 73.0 108.966 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.26 125.7 24.69 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.446 -0.576 . . . . 72.55 109.446 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -60.79 153.44 24.41 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.204 0.602 . . . . 55.53 110.774 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -69.26 151.06 46.73 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.067 0.547 . . . . 73.4 110.827 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -154.07 168.08 27.66 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.077 -1.083 . . . . 65.54 108.077 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.7 m170 . . . . . 0 CA--C 1.549 0.929 0 CA-C-O 118.449 -0.786 . . . . 63.32 108.945 171.703 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tmm? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 108.89 -0.782 . . . . 72.42 108.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.62 -80.28 0.79 Allowed Glycine 0 C--N 1.354 1.576 0 O-C-N 123.84 0.712 . . . . 43.51 112.492 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -86.54 137.18 32.72 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.618 0.767 . . . . 74.55 109.166 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -136.35 175.71 9.36 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.68 1.192 . . . . 73.55 109.83 174.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 79' ' ' LEU . 38.6 pt -122.71 141.37 43.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 108.913 -0.773 . . . . 75.45 108.913 168.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -113.44 126.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.213 -1.032 . . . . 73.42 108.213 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 69' ' ' ILE . 61.7 t -111.42 107.59 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.977 -0.749 . . . . 73.23 108.977 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 20' ' ' ALA . 19.4 mt -100.69 118.66 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.524 0.73 . . . . 73.52 109.588 -174.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.79 101.26 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 107.437 -1.32 . . . . 74.44 107.437 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.0 t -100.08 148.14 24.88 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.351 0.66 . . . . 74.51 111.075 -177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 p -144.49 81.66 1.67 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.498 -1.228 . . . . 54.43 109.183 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t70 76.94 -38.13 0.3 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.106 1.362 . . . . 72.44 113.352 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.67 142.73 58.33 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.097 0.559 . . . . 61.41 112.067 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -100.47 -20.79 15.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.77 0.828 . . . . 74.11 112.443 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -58.31 -47.23 84.37 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.68 0.622 . . . . 75.42 112.68 -173.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -76.32 -21.13 56.57 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 111.965 0.357 . . . . 73.32 111.965 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.32 -40.37 70.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.118 0.567 . . . . 73.33 110.365 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.92 -34.28 51.38 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.433 -0.349 . . . . 51.41 110.978 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.72 -35.41 72.64 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.832 0.453 . . . . 71.15 110.077 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -55.5 -34.79 64.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.441 1.096 . . . . 61.21 112.606 177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -67.7 -36.22 80.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.948 0.899 . . . . 75.41 110.692 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -71.52 -42.01 68.51 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.469 0.708 . . . . 70.03 109.426 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 HD11 ' A' ' 28' ' ' LEU . 96.4 mt -62.07 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.855 1.262 . . . . 74.43 111.732 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.8 ptpt -76.86 -16.83 59.3 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.737 0.643 . . . . 44.14 112.737 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.33 -12.0 12.14 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.45 0.7 . . . . 65.41 111.967 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.602 ' HG3' HD23 ' A' ' 97' ' ' LEU . 33.4 mm-40 -73.94 -8.94 57.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.34 1.056 . . . . 74.41 112.64 171.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.21 29.81 13.92 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.053 0.221 . . . . 71.31 112.712 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.621 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -122.0 158.9 28.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.78 0.832 . . . . 74.23 109.593 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -87.18 143.25 27.38 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.079 0.4 . . . . 71.35 110.824 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 24' ' ' LYS . 71.3 t -120.64 129.84 75.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 123.682 0.793 . . . . 72.53 109.42 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 97.3 m-85 -110.66 117.47 33.59 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.893 1.277 . . . . 73.12 107.985 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 8.5 mm -95.1 122.87 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 108.901 -0.777 . . . . 70.44 108.901 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 59' ' ' VAL . 54.3 mt -97.98 104.57 16.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.131 -0.692 . . . . 75.13 109.131 173.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.7 OUTLIER -89.78 128.22 36.1 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.641 -0.874 . . . . 63.32 108.641 -178.157 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -146.6 122.64 10.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.469 -0.937 . . . . 70.24 108.469 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' H ' HD22 ' A' ' 42' ' ' LEU . 21.4 t70 -132.76 171.48 13.83 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.572 1.149 . . . . 74.34 108.278 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -70.44 -30.51 67.38 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.016 0.527 . . . . 71.54 110.875 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -115.72 113.08 22.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.86 0.864 . . . . 71.04 109.832 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.49 -15.83 63.88 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.326 1.232 . . . . 75.1 114.326 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.89 -59.42 2.72 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.883 0.765 . . . . 75.21 110.234 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -69.13 -22.98 63.92 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.741 0.651 . . . . 71.43 110.169 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 ' H ' ' A' ' 36' ' ' ASP . 38.3 tp -63.05 -51.49 66.5 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.15 1.38 . . . . 75.13 111.219 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 11.4 mm-40 -63.0 -37.13 85.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.981 0.512 . . . . 71.11 111.478 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.71 -38.12 86.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.495 0.718 . . . . 72.4 110.758 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.8 -41.09 97.3 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.814 1.245 . . . . 74.44 109.923 177.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.84 -46.82 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.678 -1.601 . . . . 74.11 110.854 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.2 mm-40 -64.59 -37.83 88.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 123.468 0.48 . . . . 73.23 111.22 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -64.28 -46.02 85.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.897 0.748 . . . . 64.01 111.202 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 56' ' ' VAL . 97.6 mt -69.3 -31.72 70.39 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 123.841 0.713 . . . . 75.11 112.008 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.59 -35.19 70.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.643 0.377 . . . . 65.21 110.17 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 t -67.49 -31.78 72.14 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.528 0.731 . . . . 71.21 111.311 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.53 -19.39 63.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.191 0.596 . . . . 72.43 111.316 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.47 49.71 2.51 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.731 -0.548 . . . . 64.1 111.731 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.48 136.0 52.9 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.807 -1.183 . . . . 61.24 107.807 171.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.56 102.15 9.59 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.835 -0.802 . . . . 75.14 108.835 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' A' ' 49' ' ' LEU . 27.3 t -113.33 132.54 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.023 -0.989 . . . . 65.33 109.732 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -127.38 143.47 51.21 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.062 -1.088 . . . . 74.33 108.062 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -85.87 132.52 34.08 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.643 -1.243 . . . . 75.41 107.643 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 33' ' ' LEU . 3.5 m -114.51 152.5 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.335 0.654 . . . . 64.45 110.066 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -73.14 -43.98 60.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.74 -1.118 . . . . 51.1 110.851 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -173.61 -175.66 1.15 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.325 1.05 . . . . 63.23 110.372 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -68.1 -43.22 78.97 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.255 0.835 . . . . 73.53 113.255 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 7.5 m-20 -50.86 -38.08 47.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.556 0.342 . . . . 52.31 110.493 171.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.62 -40.23 76.7 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.594 0.757 . . . . 72.34 109.719 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 HD12 ' A' ' 33' ' ' LEU . 90.7 mt -62.25 -51.57 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 124.082 0.953 . . . . 74.4 112.141 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.58 -55.27 35.97 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.374 0.67 . . . . 72.43 111.456 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -66.15 -21.24 66.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.285 -0.87 . . . . 71.02 112.795 175.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 69' ' ' ILE . 54.4 t90 -64.35 -36.72 85.05 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.34 0.591 . . . . 74.24 110.097 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -76.14 -41.88 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 115.353 -0.84 . . . . 73.53 109.958 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 37.9 t70 -61.92 -37.82 86.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.055 0.942 . . . . 63.21 112.037 -172.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 15.1 ptmm? -67.89 -39.1 83.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 123.564 0.54 . . . . 52.34 111.289 178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.55 -33.79 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 122.491 0.316 . . . . 65.34 110.621 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 70' ' ' ASP . 10.5 mtmp? -63.85 -31.63 72.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.549 0.34 . . . . 72.44 111.169 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -73.78 -39.09 64.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.024 0.53 . . . . 65.51 110.151 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 7.3 mm-40 -71.34 -35.37 71.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.705 0.402 . . . . 62.4 111.338 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -141.02 91.71 8.84 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.665 0.786 . . . . 74.32 110.311 -174.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 -15.63 21.06 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.774 2.316 . . . . 75.02 113.048 170.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.1 -29.56 68.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.713 0.805 . . . . 61.42 112.519 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 5' ' ' ILE . 2.6 pp -110.43 163.1 14.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.488 1.115 . . . . 71.35 110.355 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 2.0 pm0 -101.29 164.32 11.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.749 -0.463 . . . . 74.02 109.749 167.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -134.64 130.07 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.496 0.718 . . . . 61.22 109.153 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.5 tpt180 -126.05 125.29 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.196 0.598 . . . . 75.24 110.149 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -91.17 117.36 29.55 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.085 0.554 . . . . 71.14 109.546 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG11 ' HB2' ' A' ' 90' ' ' ALA . 50.1 t -99.2 94.89 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.363 1.065 . . . . 74.23 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -85.98 -8.89 57.66 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.799 -1.092 . . . . 54.14 112.338 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -155.79 158.26 37.84 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.304 1.042 . . . . 74.0 108.454 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 12.6 pt-20 -55.52 -28.81 56.92 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.566 0.747 . . . . 70.44 112.227 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.99 -44.61 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.381 1.073 . . . . 74.53 111.282 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.7 mm100 -62.31 -37.17 84.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.857 0.723 . . . . 72.31 110.925 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.504 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.88 -33.29 75.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.19 0.596 . . . . 71.33 111.236 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 94' ' ' LEU . 58.5 mtpt -77.68 -32.67 53.22 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.251 0.621 . . . . 74.1 111.339 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.03 -44.88 83.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.199 0.6 . . . . 65.45 110.005 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.549 HG21 ' HG2' ' A' ' 82' ' ' ARG . 26.3 pt -73.38 -22.67 19.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 112.825 0.676 . . . . 73.12 112.825 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 90' ' ' ALA . 95.6 mt -54.58 -30.27 53.84 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.654 0.661 . . . . 75.12 110.484 167.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.08 -50.42 8.52 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.669 0.787 . . . . 72.33 110.164 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 61.0 m-20 -54.14 -29.17 44.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 113.666 0.987 . . . . 60.32 113.666 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 26' ' ' GLU . 3.9 mp -75.73 -20.88 58.01 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.775 0.83 . . . . 50.12 110.356 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -84.51 -41.73 16.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.064 -0.971 . . . . 70.24 109.371 173.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.26 -76.24 0.1 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.299 1.04 . . . . 64.35 111.036 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -176.66 160.83 2.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.154 0.982 . . . . 53.43 110.796 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 81.87 1.51 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.274 -0.731 . . . . 70.44 111.274 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.3 p -69.13 93.96 0.63 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.19 0.596 . . . . 71.41 110.45 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 2.8 pp -88.74 -24.4 22.68 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.907 0.706 . . . . 73.54 112.907 -174.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -67.43 138.77 56.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.448 -0.945 . . . . 60.44 108.448 177.354 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -65.89 -74.45 0.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.586 0.755 . . . . 62.23 111.716 -163.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 44.73 28.27 0.33 Allowed 'General case' 0 N--CA 1.501 2.112 0 C-N-CA 125.403 1.481 . . . . 74.04 113.304 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -150.38 132.92 15.72 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.037 1.335 . . . . 64.4 107.529 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -94.52 -18.72 21.18 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.972 -0.537 . . . . 75.44 111.963 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.3 t60 71.19 89.48 0.1 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 107.788 -1.19 . . . . 62.44 107.788 -158.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.25 1.092 0 N-CA-C 108.64 -0.874 . . . . 72.35 108.64 -177.61 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.142 -0.688 . . . . 72.23 109.142 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.89 43.02 0.05 OUTLIER Glycine 0 C--N 1.347 1.161 0 N-CA-C 111.45 -0.66 . . . . 54.34 111.45 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -81.68 170.18 16.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.195 0.598 . . . . 74.54 111.18 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -151.68 128.25 10.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.87 -0.789 . . . . 75.01 108.87 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.31 158.53 4.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 108.591 -0.892 . . . . 73.23 108.591 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -117.48 136.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 107.692 -1.225 . . . . 71.03 107.692 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 69' ' ' ILE . 97.3 t -113.04 114.73 47.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.142 -1.429 . . . . 71.55 107.142 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 67.4 mt -110.77 123.21 66.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.267 -1.012 . . . . 73.31 108.267 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -95.9 96.15 5.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 105.251 -2.129 . . . . 63.33 105.251 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.4 t -79.46 98.68 6.89 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.014 -1.476 . . . . 75.34 107.014 -173.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 t -100.37 86.74 3.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.25 -0.886 . . . . 51.05 110.194 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 77.09 -59.39 0.48 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.524 1.529 . . . . 61.14 112.757 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.92 153.73 41.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.308 1.043 . . . . 52.52 111.808 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -84.66 -23.26 29.53 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.979 0.733 . . . . 73.33 112.979 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 m -50.59 -40.67 53.09 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.055 0.761 . . . . 74.14 113.055 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 16' ' ' LEU . 4.7 mp -70.38 -29.9 66.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.968 0.507 . . . . 73.3 110.677 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.4 -41.43 76.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.165 0.986 . . . . 71.13 110.208 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -69.12 -48.83 61.43 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.974 0.909 . . . . 74.43 111.483 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.727 HD22 HD11 ' A' ' 94' ' ' LEU . 94.9 mt -66.12 -37.97 87.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.565 0.746 . . . . 53.12 111.048 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -35.79 30.55 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.6 1.16 . . . . 72.44 113.564 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -73.85 -30.89 62.92 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.366 -0.833 . . . . 72.5 111.134 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.69 -43.48 89.11 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.474 0.71 . . . . 75.41 110.068 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.61 -52.27 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.779 0.675 . . . . 75.33 112.154 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.6 ptpt -67.19 -19.07 65.51 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.416 0.895 . . . . 70.35 113.416 -173.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.15 -23.79 62.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.539 0.736 . . . . 70.2 111.464 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.54 -1.06 17.09 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.943 0.897 . . . . 63.35 112.295 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 32.12 5.97 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 123.155 0.407 . . . . 65.23 113.933 171.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 174.18 9.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.374 0.67 . . . . 72.33 110.59 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -98.36 147.55 24.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.398 0.679 . . . . 74.01 109.772 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 24' ' ' LYS . 89.5 t -119.44 131.9 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.625 0.77 . . . . 72.31 109.236 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 83.5 m-85 -108.95 115.19 29.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.344 -0.984 . . . . 73.21 108.344 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' HG22 ' A' ' 56' ' ' VAL . 34.6 mm -91.33 131.33 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.493 -0.558 . . . . 73.12 109.493 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.611 ' HB2' HG13 ' A' ' 9' ' ' ILE . 74.3 mt -103.86 106.75 17.35 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.315 -0.994 . . . . 74.21 108.315 167.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -78.39 127.79 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.729 -0.668 . . . . 73.34 109.28 -173.208 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -133.43 120.5 20.99 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 106.765 -1.568 . . . . 60.35 106.765 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -132.78 170.0 15.9 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.703 -0.851 . . . . 74.41 108.703 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -37.44 74.44 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.656 -0.868 . . . . 73.0 108.656 174.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.67 123.76 50.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.782 0.833 . . . . 75.35 108.977 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.1 -18.8 65.58 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.139 0.427 . . . . 45.52 111.224 173.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -54.86 -59.17 5.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.864 1.266 . . . . 72.1 109.922 167.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -74.08 -24.42 59.49 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.852 -1.067 . . . . 74.3 111.667 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.1 tt -60.54 -53.72 54.1 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 71.31 109.699 174.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.06 -39.89 91.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.839 0.856 . . . . 74.4 111.278 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.94 -40.65 91.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.835 0.854 . . . . 70.33 110.572 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 34' ' ' LEU . 38.8 ttmt -72.5 -26.76 61.9 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.843 0.857 . . . . 53.23 111.209 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.611 HG23 ' HB ' ' A' ' 56' ' ' VAL . 38.8 mt -59.0 -44.79 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.086 -0.709 . . . . 74.05 109.086 169.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -67.71 -39.07 84.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.148 0.579 . . . . 65.1 110.879 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.19 -55.0 38.5 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.95 0.781 . . . . 73.35 110.711 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 56' ' ' VAL . 65.2 mt -71.67 -36.93 70.79 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.204 -0.907 . . . . 63.41 112.043 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 30.2 mtpp -62.38 -42.0 99.08 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 118.604 0.638 . . . . 73.14 111.254 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 t -65.45 -30.43 71.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.216 0.606 . . . . 51.13 111.656 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' NE2' HD23 ' A' ' 49' ' ' LEU . 49.9 mt-30 -71.47 -22.39 61.82 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.775 0.43 . . . . 75.3 111.106 173.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.74 6.92 7.63 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-O 119.652 -0.527 . . . . 64.15 113.96 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 93.7 m-85 -85.33 160.8 19.73 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.647 0.724 . . . . 74.53 110.76 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -104.22 114.65 29.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.476 -1.305 . . . . 72.44 107.476 165.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' A' ' 46' ' ' ILE . 12.4 t -117.66 133.16 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.26 0.624 . . . . 65.43 109.815 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 3.3 mmp_? -127.23 152.48 47.33 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.689 0.796 . . . . 73.23 110.665 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -92.3 125.55 37.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 108.006 -1.109 . . . . 74.43 108.006 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 33' ' ' LEU . 5.6 m -121.06 178.78 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.901 0.88 . . . . 62.35 110.169 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -109.24 -96.58 0.39 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.562 0.745 . . . . 73.25 109.838 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -95.6 175.35 6.58 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.523 0.729 . . . . 73.4 109.159 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.7 t70 -64.23 -27.94 69.4 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.38 0.672 . . . . 72.12 111.011 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -54.55 -48.24 72.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.371 0.668 . . . . 65.21 111.267 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.4 -33.67 65.12 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.649 0.779 . . . . 74.44 111.132 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.489 HG23 HD12 ' A' ' 33' ' ' LEU . 93.6 mt -59.83 -49.17 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.797 -1.092 . . . . 63.13 110.041 171.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.11 -38.19 90.2 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.026 0.93 . . . . 62.11 111.124 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -72.07 -29.67 64.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.726 0.81 . . . . 74.5 110.549 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.414 ' HE3' HD12 ' A' ' 69' ' ' ILE . 55.8 t90 -70.36 -33.85 71.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.697 0.799 . . . . 63.43 110.333 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.561 HG12 ' HG3' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -36.46 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.003 0.521 . . . . 75.23 109.638 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.14 -43.05 82.07 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.993 0.917 . . . . 72.44 111.771 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -66.42 -36.6 83.22 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.212 -0.423 . . . . 64.22 111.369 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mt -70.17 -36.29 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.207 0.458 . . . . 72.23 110.401 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.516 0.326 . . . . 74.45 110.591 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 74' ' ' LYS . 4.1 ttmp? -79.16 -42.6 25.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 74.52 111.629 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 16.8 mm-40 -82.77 -40.23 20.75 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.264 0.626 . . . . 74.44 110.33 -176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -129.65 83.55 64.15 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.937 0.895 . . . . 71.34 110.965 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.74 -5.95 18.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.928 2.419 . . . . 61.25 112.271 166.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.02 -7.14 38.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.317 1.047 . . . . 70.21 113.199 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.44 144.34 34.37 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.058 0.943 . . . . 73.42 109.714 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.46 144.41 39.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.434 -0.58 . . . . 75.23 109.434 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.35 123.82 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.195 -0.669 . . . . 62.14 109.195 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -109.54 132.9 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.726 0.811 . . . . 71.45 109.451 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 69' ' ' ILE . 12.0 mtpt -95.47 121.28 36.98 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 108.721 -0.844 . . . . 70.22 108.721 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 93' ' ' ILE . 69.4 t -122.02 89.54 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 N-CA-C 107.891 -1.151 . . . . 71.4 107.891 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 16.4 p -91.27 -25.02 19.67 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.011 0.524 . . . . 64.15 111.309 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -117.96 155.12 30.8 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.042 0.937 . . . . 71.02 110.129 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.78 -44.69 86.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.604 1.161 . . . . 62.32 112.738 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 7.6 p-10 -57.77 -37.87 74.44 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.614 0.571 . . . . 73.15 111.388 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 49.9 mt-30 -62.98 -41.23 99.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.17 0.588 . . . . 64.22 110.471 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.21 68.08 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.672 0.789 . . . . 63.53 111.914 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.1 -34.48 43.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.454 0.702 . . . . 73.31 111.816 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.9 mm100 -78.82 -36.6 42.34 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.628 0.371 . . . . 72.21 111.46 -176.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HG21 ' A' ' 84' ' ' VAL . 23.0 pt -62.28 -27.24 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 111.725 0.269 . . . . 73.42 111.725 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.727 HD11 HD22 ' A' ' 19' ' ' LEU . 95.7 mt -51.69 -42.76 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.51 0.324 . . . . 74.44 111.59 171.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.81 -28.83 27.82 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.721 0.808 . . . . 71.24 111.645 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.767 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 15.7 t70 -61.08 -47.92 84.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.957 0.903 . . . . 74.52 111.366 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.6 mp -70.31 -20.55 63.0 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.98 -1.009 . . . . 75.44 110.82 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 28.1 mmmt -80.87 -31.64 35.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.214 0.605 . . . . 65.02 110.601 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.767 ' HE2' ' HA ' ' A' ' 96' ' ' ASP . 49.4 mtmt -59.91 -35.89 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.181 0.592 . . . . 70.02 110.567 172.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 11.1 mmpt? -66.33 -28.08 68.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.565 -0.743 . . . . 64.42 111.897 -177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.09 -51.34 3.79 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.418 -0.673 . . . . 54.1 111.418 170.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m -105.54 92.96 4.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.057 0.943 . . . . 53.12 110.257 -175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.7 29.61 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.592 0.757 . . . . 55.43 111.501 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.18 172.49 8.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.938 0.895 . . . . 64.23 110.111 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -69.94 104.26 2.47 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.654 -1.239 . . . . 71.4 107.654 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -55.74 106.06 0.23 Allowed 'General case' 0 CA--C 1.548 0.877 0 O-C-N 124.043 0.839 . . . . 73.35 108.815 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -88.75 93.28 9.52 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.322 0.649 . . . . 75.53 111.586 -167.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 t60 40.25 78.34 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.981 1.312 . . . . 74.21 112.735 163.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -67.6 -32.62 73.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.802 -0.444 . . . . 73.53 109.802 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 . . . . . 0 CA--C 1.553 1.075 0 O-C-N 124.516 1.135 . . . . 74.02 108.544 174.161 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.372 -0.233 . . . . 64.13 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.52 10.17 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.658 -0.577 . . . . 62.15 111.658 -173.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 m -68.7 103.56 1.77 Allowed 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.323 0.649 . . . . 54.12 109.841 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 20.7 ttpt -148.46 141.69 25.1 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.355 0.662 . . . . 70.25 109.501 -177.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 72' ' ' ILE . 46.8 pt -121.26 144.29 30.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 107.927 -1.138 . . . . 72.32 107.927 168.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.532 HG13 HG21 ' A' ' 23' ' ' ILE . 47.2 mm -113.13 106.91 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.919 -0.771 . . . . 72.43 108.919 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 69' ' ' ILE . 54.1 t -80.27 125.05 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 109.376 -0.601 . . . . 71.31 109.376 171.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 HD12 ' HB2' ' A' ' 20' ' ' ALA . 37.0 mt -116.26 131.21 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.001 -0.74 . . . . 61.52 109.001 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.663 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -96.24 92.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 105.906 -1.887 . . . . 74.23 105.906 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 t -100.49 123.12 44.29 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.521 -0.763 . . . . 62.31 110.343 -170.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -138.55 119.35 14.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.545 -1.28 . . . . 70.52 107.545 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 73.2 -79.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.137 1.375 . . . . 72.5 113.607 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.79 138.63 58.57 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 113.756 1.021 . . . . 75.53 113.756 -166.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.2 m -89.51 -14.82 34.39 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.27 -1.332 . . . . 75.24 111.973 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -29.64 69.75 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.973 -0.455 . . . . 72.24 111.704 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.13 -29.77 66.78 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.826 -0.435 . . . . 74.33 109.826 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 49' ' ' LEU . 33.0 mt-10 -76.53 -37.33 56.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.574 1.15 . . . . 72.32 109.708 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 35.5 mm-40 -62.99 -58.46 7.24 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 115.479 -0.782 . . . . 64.54 109.369 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.8 mt -54.0 -40.19 66.75 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.632 1.208 . . . . 63.24 110.797 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.44 -48.93 71.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.327 1.051 . . . . 53.1 112.046 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -68.59 -25.53 64.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.857 -1.065 . . . . 74.4 111.143 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 1.8 mptm? -83.82 -35.95 23.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.329 0.652 . . . . 64.12 111.718 177.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 6' ' ' ILE . 74.3 mt -56.92 -52.19 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 123.599 0.76 . . . . 73.54 110.638 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.7 ptpt -60.25 -22.4 63.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 124.176 0.922 . . . . 75.04 112.909 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.21 -23.93 65.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.329 0.652 . . . . 71.1 111.78 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.96 -1.54 9.95 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.361 0.664 . . . . 72.21 112.533 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 26.08 7.45 Favored Glycine 0 C--N 1.345 1.071 0 C-N-CA 122.968 0.318 . . . . 43.22 112.819 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -128.57 176.57 7.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.469 0.708 . . . . 75.02 110.545 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -107.0 153.0 23.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.709 0.403 . . . . 71.44 110.074 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 24' ' ' LYS . 88.7 t -119.37 127.5 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 123.69 0.796 . . . . 64.42 109.615 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -103.24 154.74 19.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.368 -1.345 . . . . 75.32 107.368 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 49' ' ' LEU . 31.9 mm -124.97 134.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 108.597 -0.89 . . . . 62.11 108.597 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD13 HG11 ' A' ' 59' ' ' VAL . 28.8 mt -104.68 113.21 26.65 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.642 -0.873 . . . . 53.02 108.642 164.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.683 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 122.34 39.8 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.848 -0.797 . . . . 40.21 108.848 -176.124 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.61 116.25 8.67 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 107.687 -1.227 . . . . 70.35 107.687 172.168 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' H ' HD12 ' A' ' 42' ' ' LEU . 31.7 t70 -134.05 162.76 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.419 0.687 . . . . 74.14 109.673 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -69.57 -25.33 63.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.809 0.843 . . . . 73.55 111.685 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.39 112.77 23.56 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.948 0.899 . . . . 64.45 109.103 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -29.29 61.57 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.629 0.772 . . . . 73.31 111.353 168.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -56.07 -58.19 8.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 60.3 110.76 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.86 -30.5 62.69 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.342 -0.845 . . . . 73.34 111.09 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.3 tt -58.48 -50.64 73.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.249 1.02 . . . . 72.05 110.088 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.38 -47.04 82.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.46 1.104 . . . . 74.41 111.319 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.93 -45.32 93.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.599 -0.728 . . . . 64.01 110.078 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.33 -39.52 90.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.289 1.036 . . . . 70.31 111.849 -174.182 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 56' ' ' VAL . 43.6 mt -55.96 -49.58 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.867 0.73 . . . . 74.43 109.964 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -71.51 -26.44 62.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.156 0.582 . . . . 75.22 112.002 -175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 32.8 mmtp -72.52 -39.0 67.91 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.936 0.398 . . . . 71.14 109.985 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.1 mt -72.08 -39.19 69.15 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.446 -0.797 . . . . 71.13 111.041 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 47.0 mtpt -66.78 -32.53 73.88 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.452 0.301 . . . . 74.24 110.584 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -41.76 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 122.908 0.483 . . . . 75.1 110.991 169.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.31 -13.72 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.542 0.737 . . . . 74.43 111.492 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.71 52.81 1.75 Allowed Glycine 0 C--N 1.35 1.332 0 C-N-CA 123.304 0.478 . . . . 41.51 112.516 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -123.42 143.27 50.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.442 0.697 . . . . 70.33 110.318 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.42 87.62 7.47 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.531 -0.914 . . . . 74.33 108.531 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 46' ' ' ILE . 8.0 t -97.09 131.42 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.185 -0.916 . . . . 52.53 110.505 -171.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -133.12 141.14 48.0 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.866 1.266 . . . . 74.55 108.022 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -87.04 139.16 30.85 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.851 0.46 . . . . 75.14 109.921 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG11 HD13 ' A' ' 33' ' ' LEU . 9.8 m -137.91 177.81 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.328 1.051 . . . . 75.44 108.592 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -103.84 -78.34 0.56 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.289 0.636 . . . . 74.13 111.289 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -124.03 176.24 6.47 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.874 0.87 . . . . 64.23 108.748 -169.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 23.3 t70 -71.72 -15.25 62.19 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.934 0.397 . . . . 74.12 110.847 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.13 -48.53 76.05 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.386 0.675 . . . . 72.45 109.571 165.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.54 -42.81 58.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.28 1.032 . . . . 73.2 110.501 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HD2' ' A' ' 83' ' ' LYS . 94.3 mt -63.52 -55.37 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.861 0.865 . . . . 73.11 111.189 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 36.1 t70 -59.5 -34.45 72.62 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.049 0.54 . . . . 61.0 111.286 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -77.57 -31.73 53.33 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.137 1.375 . . . . 74.33 110.76 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.0 t90 -69.13 -43.15 74.97 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.413 1.085 . . . . 74.52 110.195 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 7' ' ' VAL . 2.0 mp -72.76 -38.72 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.146 0.578 . . . . 34.42 109.59 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.72 -43.43 76.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.1 0.96 . . . . 72.32 111.018 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -74.65 -34.65 62.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.029 -0.51 . . . . 73.11 111.276 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.7 mm -61.05 -38.32 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 118.317 0.508 . . . . 72.23 110.154 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -72.9 -27.78 62.09 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.753 0.649 . . . . 74.24 112.753 -177.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -89.16 -38.14 14.52 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 120.727 0.299 . . . . 74.43 110.664 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.45 -39.13 68.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.762 0.825 . . . . 70.13 109.808 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -122.33 79.49 45.08 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 124.274 1.03 . . . . 61.34 108.911 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.48 9.77 3.55 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.748 2.299 . . . . 70.04 112.809 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -75.88 -45.51 35.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.731 0.813 . . . . 74.31 109.56 174.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -110.45 137.7 47.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.416 0.686 . . . . 64.52 110.478 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.92 152.54 21.99 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.601 -0.888 . . . . 70.44 108.601 172.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' HB ' HG23 ' A' ' 69' ' ' ILE . 16.4 t -128.59 143.6 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.805 -0.443 . . . . 64.23 109.805 -174.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.4 tpt180 -126.54 131.65 51.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.062 0.945 . . . . 73.54 109.611 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.9 mtmt -84.05 138.06 33.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.854 0.861 . . . . 73.44 109.241 170.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 43.9 t -130.11 94.0 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.735 0.814 . . . . 71.35 109.443 176.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.663 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 66.7 p -81.8 -30.43 32.23 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 120.899 0.381 . . . . 72.34 112.011 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-20 -119.39 158.46 26.11 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.432 0.693 . . . . 73.44 111.105 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -50.21 -47.42 54.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.164 1.386 . . . . 75.44 111.597 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 37.1 t70 -63.06 -31.65 72.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.9 -0.591 . . . . 72.44 111.549 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.472 ' HB2' HG13 ' A' ' 84' ' ' VAL . 11.0 mm100 -67.62 -35.88 79.77 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.692 0.397 . . . . 52.33 110.636 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.99 -34.14 75.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.861 -0.609 . . . . 65.03 111.076 172.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 8.8 mtpm? -69.51 -40.71 76.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.149 0.579 . . . . 73.13 111.057 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.5 mm-40 -66.32 -47.02 74.89 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.573 0.546 . . . . 61.34 110.016 -176.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 40.4 pt -66.31 -28.62 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.655 0.613 . . . . 72.35 112.655 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 35.9 mt -57.54 -51.05 71.04 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 118.391 0.541 . . . . 74.42 109.683 170.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.15 -26.63 67.52 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.517 1.127 . . . . 74.24 111.574 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.5 t70 -80.89 -27.58 36.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.137 0.975 . . . . 74.13 111.019 -175.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.8 mp -80.51 -14.86 57.89 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.281 0.633 . . . . 72.14 110.073 174.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 26.2 mmmt -85.95 -42.1 14.32 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.444 -0.576 . . . . 74.22 109.444 173.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -64.95 -39.45 93.52 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.506 0.722 . . . . 52.43 109.776 173.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt 44.57 -67.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 127.692 2.397 . . . . 54.22 115.852 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.75 84.79 0.11 Allowed Glycine 0 C--N 1.349 1.283 0 N-CA-C 114.156 0.422 . . . . 72.21 114.156 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 m -74.28 -14.22 60.88 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.896 0.878 . . . . 74.45 110.746 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt 63.72 19.75 11.88 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.429 1.491 . . . . 72.13 111.975 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -124.86 85.12 2.37 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.969 0.907 . . . . 72.22 109.944 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -149.72 -49.26 0.14 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.702 -1.592 . . . . 64.24 106.702 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -112.85 90.11 3.26 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 107.196 -1.409 . . . . 72.31 107.196 164.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.66 -19.61 65.97 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.893 -0.505 . . . . 65.54 111.219 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -69.83 82.53 0.46 Allowed 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.83 0.824 . . . . 53.51 110.236 169.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -146.29 25.89 1.21 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.526 1.53 . . . . 73.11 106.926 169.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.8 t60 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.33 1.452 . . . . 62.52 107.589 -174.453 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 ttp . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.071 -0.714 . . . . 73.34 109.071 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.41 85.37 0.1 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 110.398 -1.081 . . . . 62.21 110.398 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 m -83.8 156.31 22.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 75.53 111.848 -171.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.6 ttmm -104.35 153.29 21.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 106.384 -1.71 . . . . 43.43 106.384 159.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 81' ' ' VAL . 39.1 pt -134.19 148.82 29.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 CA-C-O 121.334 0.588 . . . . 73.25 109.502 169.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mm -116.35 126.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.014 -1.106 . . . . 74.03 108.014 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 31' ' ' TYR . 83.4 t -104.94 114.64 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.111 -1.07 . . . . 72.04 108.111 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.1 mt -104.8 120.65 55.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.908 -0.775 . . . . 64.22 108.908 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.59 91.35 3.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 106.507 -1.664 . . . . 73.01 106.507 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.679 ' HA ' HD13 ' A' ' 16' ' ' LEU . 8.7 t -87.96 111.96 22.05 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.903 -0.589 . . . . 71.23 110.896 -170.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -82.23 -145.06 0.06 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.949 1.3 . . . . 44.21 109.388 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.3 -25.11 54.49 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 123.151 0.581 . . . . 63.43 110.719 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.8 130.07 43.25 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.343 0.657 . . . . 70.34 111.407 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 13.4 t -89.53 -18.48 26.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.84 0.456 . . . . 55.22 111.943 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -57.33 -30.89 65.17 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.585 0.63 . . . . 74.3 111.51 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 10' ' ' SER . 11.5 mt -57.12 -55.62 32.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.662 1.185 . . . . 73.02 111.652 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.75 -24.08 56.06 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.405 1.082 . . . . 73.41 111.944 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 14' ' ' THR . 43.9 mt-10 -70.23 -50.92 34.88 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.967 0.507 . . . . 72.1 110.138 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 67.8 mt -64.35 -32.32 73.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.847 0.859 . . . . 63.41 111.395 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -37.41 7.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.135 1.374 . . . . 64.15 113.468 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -72.02 -42.3 66.52 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.109 -0.496 . . . . 53.1 111.35 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 11.4 mptt -58.65 -36.43 74.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.059 0.544 . . . . 74.2 110.677 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.35 -56.86 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 123.491 0.495 . . . . 74.52 110.613 173.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.5 ptpt -67.85 -19.3 65.03 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.523 0.935 . . . . 72.42 113.523 -172.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -65.73 -10.8 40.16 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 112.735 0.643 . . . . 75.13 112.735 172.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.28 -15.27 60.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.106 0.562 . . . . 63.53 111.388 170.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.44 25.65 4.87 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.371 -0.127 . . . . 53.43 113.31 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -127.58 175.85 7.94 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.449 0.7 . . . . 44.3 110.185 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -100.45 152.01 20.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.728 0.411 . . . . 65.22 111.015 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 24' ' ' LYS . 95.9 t -120.49 125.83 74.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.061 0.944 . . . . 71.42 109.581 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 14.7 m-85 -104.74 126.91 52.29 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 107.274 -1.38 . . . . 73.32 107.274 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.3 mm -101.82 128.37 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.119 -0.697 . . . . 53.42 109.119 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 HG23 ' A' ' 65' ' ' ILE . 37.5 mt -100.23 107.4 19.22 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.238 -0.653 . . . . 71.42 109.238 169.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -86.77 128.19 35.02 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.104 -0.953 . . . . 55.34 109.205 -174.796 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -130.62 121.32 25.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.763 0.825 . . . . 62.34 109.415 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.609 ' H ' HD12 ' A' ' 42' ' ' LEU . 23.1 t70 -135.27 165.41 25.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.152 0.981 . . . . 73.12 108.885 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.548 ' HE3' ' N ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -70.91 -20.54 62.47 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.065 0.546 . . . . 63.32 110.979 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.4 122.15 32.83 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.085 0.954 . . . . 51.3 108.84 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.74 -31.56 62.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.847 1.259 . . . . 72.45 113.975 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 10.5 mmpt? -80.92 -36.67 30.79 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 117.723 0.238 . . . . 72.02 110.641 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -65.58 -41.2 93.13 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.514 0.673 . . . . 62.52 110.05 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.2 tt -52.62 -45.62 66.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.551 1.54 . . . . 74.25 110.478 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.52 -31.93 65.73 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.518 1.127 . . . . 74.22 112.519 -172.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 52.9 mt-10 -64.28 -41.65 96.79 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.189 0.519 . . . . 74.44 109.822 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.77 -32.86 73.73 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.053 -0.976 . . . . 71.53 111.052 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.521 HG23 ' HB ' ' A' ' 56' ' ' VAL . 37.9 mt -58.73 -42.02 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 N-CA-C 109.531 -0.544 . . . . 53.21 109.531 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.74 -38.66 87.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.011 0.524 . . . . 65.52 111.145 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 10.8 mmpt? -60.03 -46.39 89.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.433 0.693 . . . . 72.53 111.556 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' A' ' 56' ' ' VAL . 81.4 mt -79.67 -31.74 41.43 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.292 -0.867 . . . . 61.13 111.793 -174.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -65.91 -38.08 87.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.925 0.49 . . . . 64.11 110.644 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -61.26 -33.33 73.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.351 0.66 . . . . 64.25 111.299 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' OE1' HD23 ' A' ' 49' ' ' LEU . 56.0 mt-30 -79.97 -11.26 59.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.885 0.874 . . . . 72.32 111.902 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.01 27.16 10.48 Favored Glycine 0 C--N 1.348 1.23 0 N-CA-C 113.896 0.318 . . . . 75.13 113.896 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -100.23 138.51 37.19 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.995 -0.743 . . . . 52.13 108.995 175.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -81.55 90.73 6.28 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.31 -0.626 . . . . 70.03 109.31 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.705 HG21 ' HB2' ' A' ' 49' ' ' LEU . 10.2 t -97.81 134.26 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.673 -0.694 . . . . 74.44 109.711 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.67 155.5 44.92 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.443 0.697 . . . . 75.31 110.502 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 42' ' ' LEU . 10.0 tmtt? -93.06 132.54 37.07 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.456 -1.247 . . . . 74.21 108.177 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 m -123.38 150.04 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.037 0.935 . . . . 74.01 109.499 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -78.52 -32.89 48.28 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.592 0.357 . . . . 74.3 110.601 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -170.6 -172.98 1.31 Allowed 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.822 0.701 . . . . 72.33 110.631 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.98 -35.8 66.96 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.377 1.071 . . . . 75.44 112.43 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.1 -32.67 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.296 0.638 . . . . 74.54 111.262 171.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.79 -35.37 64.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.733 0.813 . . . . 73.32 111.086 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 HD12 ' A' ' 33' ' ' LEU . 70.7 mt -58.88 -45.61 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 124.05 0.844 . . . . 73.12 112.492 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.18 -45.5 87.4 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.047 0.385 . . . . 64.02 111.012 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -61.76 -34.01 75.1 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.381 -0.827 . . . . 60.3 111.58 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 29.2 t90 -67.33 -45.26 76.96 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.547 0.739 . . . . 71.54 110.445 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.479 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -69.12 -40.46 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 122.505 0.322 . . . . 73.44 110.17 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.08 -40.19 94.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.448 0.699 . . . . 74.24 111.528 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.9 ptpt -72.32 -31.98 66.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 119.124 -0.465 . . . . 72.54 111.336 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 68' ' ' TRP . 34.2 mm -68.42 -39.53 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.612 0.365 . . . . 74.1 110.774 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.79 -27.81 67.88 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.429 -0.351 . . . . 62.32 110.942 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HB2' ' NZ ' ' A' ' 74' ' ' LYS . 4.3 ttmp? -83.88 -38.72 20.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.806 0.842 . . . . 62.43 111.549 -176.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 22.1 mm-40 -78.57 -38.6 39.79 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.1 0.56 . . . . 73.34 109.897 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.597 ' HE ' HD21 ' A' ' 79' ' ' LEU . 66.8 mtp85 -123.08 83.95 51.07 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.457 1.103 . . . . 64.43 108.776 -176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.78 4.05 6.77 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.986 2.457 . . . . 73.31 113.725 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -101.26 20.21 16.22 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.198 0.599 . . . . 64.21 111.018 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.597 HD21 ' HE ' ' A' ' 76' ' ' ARG . 2.7 pp -142.45 157.74 44.44 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.159 0.584 . . . . 73.22 111.66 170.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HG3' ' A' ' 4' ' ' LYS . 2.5 pm0 -102.65 148.48 25.52 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.804 1.242 . . . . 73.22 109.059 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 5' ' ' ILE . 39.4 t -124.46 128.5 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.166 0.586 . . . . 74.44 110.723 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -111.94 139.28 47.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.431 1.092 . . . . 70.33 109.109 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.479 ' HG2' HG12 ' A' ' 69' ' ' ILE . 41.5 mtmt -98.89 131.13 45.22 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.698 -0.852 . . . . 73.13 108.698 172.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 93' ' ' ILE . 75.1 t -122.69 101.75 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.15 0.98 . . . . 64.44 109.957 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.9 p -85.83 -54.93 4.22 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.333 0.253 . . . . 71.42 110.368 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.54 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 12.1 m-20 -87.32 151.65 22.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.485 0.714 . . . . 62.43 110.219 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -64.48 -28.45 69.67 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.905 0.482 . . . . 74.43 110.089 171.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -57.07 -38.16 72.91 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.251 1.42 . . . . 73.45 111.26 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 13.0 mm100 -74.33 -31.34 62.41 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.472 -0.785 . . . . 60.24 110.742 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.47 66.81 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.155 0.582 . . . . 73.15 111.582 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 29.4 mtpp -75.74 -32.48 60.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.498 0.719 . . . . 70.13 110.208 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.69 -52.19 27.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.937 0.895 . . . . 73.35 111.277 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.586 HD13 HG21 ' A' ' 84' ' ' VAL . 30.0 pt -60.3 -25.81 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 112.841 0.682 . . . . 63.43 112.841 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 82.1 mt -53.88 -42.74 68.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.31 0.244 . . . . 71.13 110.827 170.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.46 -24.88 27.22 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.939 0.895 . . . . 74.32 112.144 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -77.72 -30.94 51.97 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.432 0.693 . . . . 64.11 111.297 -170.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.28 -18.72 60.0 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.833 0.453 . . . . 75.25 110.194 171.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.2 mmmt -81.81 -26.19 34.58 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.676 0.391 . . . . 63.24 110.685 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -53.38 -68.88 0.14 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 108.68 -0.859 . . . . 53.14 108.68 169.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -160.56 178.84 9.12 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.716 1.606 . . . . 73.22 108.099 169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.69 -32.94 82.84 Favored Glycine 0 C--N 1.35 1.322 0 N-CA-C 111.233 -0.747 . . . . 61.3 111.233 167.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.3 m -86.53 114.06 22.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.601 -0.889 . . . . 53.32 108.601 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -73.55 -7.32 51.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.99 0.916 . . . . 74.14 112.041 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -141.46 -170.32 3.06 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.809 0.444 . . . . 75.2 110.992 -176.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.5 55.81 3.34 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.443 1.097 . . . . 71.1 111.055 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 66.1 t60 51.68 49.47 20.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.061 1.344 . . . . 63.54 112.805 168.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -84.74 -21.9 29.87 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.694 -0.629 . . . . 75.23 111.076 175.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -93.14 144.84 24.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 110.0 -0.37 . . . . 74.4 110.0 176.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -167.57 43.85 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.759 1.224 . . . . 74.23 107.776 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 N--CA 1.484 1.232 0 C-N-CA 125.895 1.678 . . . . 51.25 107.709 -159.485 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 108.071 -1.085 . . . . 74.23 108.071 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.77 19.13 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 114.898 -1.046 . . . . 70.34 110.7 172.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -66.17 129.37 39.59 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.73 -0.841 . . . . 75.42 108.73 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.562 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 12.8 ttmm -132.18 148.53 52.47 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.86 -0.422 . . . . 65.41 109.86 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 72' ' ' ILE . 45.4 pt -136.32 146.61 28.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.646 -1.242 . . . . 71.24 107.646 163.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 mm -115.12 138.56 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.682 -1.229 . . . . 72.2 107.682 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 91.9 t -117.57 116.26 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.299 -1.371 . . . . 72.53 107.299 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 20' ' ' ALA . 44.2 mt -107.53 127.42 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.259 -0.645 . . . . 52.12 109.259 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -92.46 93.49 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 106.124 -1.806 . . . . 61.45 106.124 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -88.55 104.74 17.11 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.89 -1.05 . . . . 52.01 110.098 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.474 ' OG ' ' HD3' ' A' ' 35' ' ' LYS . 13.6 m -125.45 106.46 9.81 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.364 -0.835 . . . . 55.52 109.076 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 74.17 -68.76 0.21 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.34 1.456 . . . . 71.23 111.653 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.73 149.62 39.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.14 0.976 . . . . 53.45 112.942 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -103.54 -23.68 13.48 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 124.839 1.256 . . . . 74.41 112.228 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -62.56 -26.6 68.66 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.3 0.64 . . . . 73.45 111.5 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.12 -45.32 87.48 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.279 1.032 . . . . 64.3 110.694 173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -79.34 -29.2 42.17 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.392 -1.276 . . . . 75.12 110.206 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.42 -49.47 71.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.558 1.143 . . . . 72.24 109.026 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 HD11 ' A' ' 94' ' ' LEU . 94.1 mt -67.19 -29.44 69.12 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.654 -1.157 . . . . 72.01 111.421 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.04 -37.44 61.57 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.92 0.888 . . . . 53.11 112.54 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.9 -38.18 89.92 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.177 0.991 . . . . 73.53 111.254 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -40.0 63.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.789 0.835 . . . . 74.25 110.493 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.78 -57.26 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 122.841 0.456 . . . . 71.13 110.259 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.8 ptpt -65.82 -18.67 65.49 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.041 0.756 . . . . 75.51 113.041 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.65 -22.36 45.25 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 74.31 112.175 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 97' ' ' LEU . 30.5 mm-40 -69.97 -23.09 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.264 0.626 . . . . 73.44 112.388 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.68 37.78 0.88 Allowed Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.441 -0.345 . . . . 21.34 112.64 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.47 177.24 7.13 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.466 0.706 . . . . 55.25 110.235 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -101.81 150.84 22.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.459 0.704 . . . . 74.3 110.421 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 24' ' ' LYS . 85.8 t -121.95 132.15 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.558 0.743 . . . . 71.34 109.939 173.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 73.2 m-85 -107.3 114.2 28.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.527 1.131 . . . . 72.35 108.526 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 HD13 ' A' ' 49' ' ' LEU . 44.4 mm -92.62 121.55 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.752 -0.832 . . . . 74.11 108.752 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 HG11 ' A' ' 59' ' ' VAL . 54.6 mt -101.12 103.16 14.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.474 -0.936 . . . . 73.2 108.474 175.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.25 118.66 28.0 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 106.593 -1.632 . . . . 64.31 106.593 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.626 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 8.6 mtpm? -101.09 113.43 26.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.761 -0.829 . . . . 62.04 108.761 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -140.55 162.26 35.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.201 0.6 . . . . 74.42 109.541 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -102.04 -6.52 23.27 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.319 0.648 . . . . 74.34 111.525 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.39 178.69 4.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.803 0.841 . . . . 65.05 109.853 -173.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.17 6.81 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.796 0.438 . . . . 74.14 111.802 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.11 -59.61 2.91 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.866 0.466 . . . . 71.14 111.497 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -67.48 -42.53 82.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.143 0.977 . . . . 63.11 110.707 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -49.9 -58.3 5.71 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.256 0.973 . . . . 72.43 112.073 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 43.2 tt0 -66.45 -32.65 74.15 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.674 0.609 . . . . 71.43 111.012 -172.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 38.6 mm-40 -61.47 -57.01 13.87 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.207 -0.664 . . . . 75.35 109.207 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -54.4 -45.78 72.99 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.534 1.146 . . . . 73.31 111.995 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 56' ' ' VAL . 51.0 mt -54.74 -50.61 59.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 O-C-N 124.2 0.938 . . . . 72.4 110.501 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.1 mm100 -68.26 -29.5 68.31 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.343 0.497 . . . . 74.51 112.343 -176.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 68.8 mmtt -66.54 -42.51 87.05 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.451 0.643 . . . . 73.32 109.868 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.63 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.0 mt -72.71 -39.5 66.92 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.977 -1.01 . . . . 74.35 111.421 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.53 -32.62 74.09 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.851 0.46 . . . . 71.22 110.918 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 t -59.48 -35.67 74.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.518 0.727 . . . . 51.44 111.24 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -75.98 -14.53 60.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.553 0.741 . . . . 74.12 111.456 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.68 1.55 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 112.021 -0.431 . . . . 63.23 112.021 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.3 141.24 52.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.783 0.833 . . . . 72.43 109.982 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -80.97 85.52 6.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.327 0.651 . . . . 64.23 109.285 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG21 ' HB2' ' A' ' 49' ' ' LEU . 13.6 t -95.84 134.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.173 0.589 . . . . 73.35 110.246 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.493 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 85.0 mmt-85 -130.99 166.46 20.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.958 0.903 . . . . 62.04 110.527 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -99.1 127.57 45.08 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.391 -1.277 . . . . 63.04 108.39 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 33' ' ' LEU . 13.0 m -128.61 157.42 41.21 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 C-N-CA 123.907 0.883 . . . . 52.33 108.738 171.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -82.06 -70.82 0.52 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.194 -0.669 . . . . 72.22 109.194 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.626 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 4.1 t70 -142.19 -174.35 4.08 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.588 -0.733 . . . . 72.33 109.912 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HA ' HD12 ' A' ' 65' ' ' ILE . 35.0 t70 -72.37 -21.22 61.33 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.765 0.426 . . . . 75.24 111.735 -169.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.98 -45.39 90.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.487 0.715 . . . . 73.12 110.533 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.55 -35.28 75.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.397 1.079 . . . . 71.11 110.819 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG22 ' HD2' ' A' ' 83' ' ' LYS . 84.5 mt -63.99 -41.73 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 114.634 -1.166 . . . . 71.32 111.443 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.66 -40.66 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 117.941 0.337 . . . . 64.13 111.221 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -69.76 -34.92 74.44 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.965 0.791 . . . . 71.45 110.709 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 50.2 t90 -69.56 -33.63 73.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.221 -0.9 . . . . 75.11 110.56 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -78.97 -37.53 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.403 0.681 . . . . 73.15 109.817 173.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.76 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 32.9 t70 -59.7 -41.51 90.93 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.971 -1.013 . . . . 63.14 111.539 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.68 -40.83 98.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.68 -0.691 . . . . 73.4 111.051 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 5' ' ' ILE . 60.0 mt -67.11 -32.08 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.088 0.555 . . . . 71.32 110.512 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 46.9 mtmt -60.04 -38.28 82.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.155 -0.475 . . . . 70.34 111.256 174.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.59 -48.41 12.73 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.184 0.594 . . . . 73.33 110.956 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -66.0 -44.61 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.259 -0.882 . . . . 54.52 111.054 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -125.7 71.63 67.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 114.902 -1.044 . . . . 72.51 109.17 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.0 17.41 1.55 Allowed 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.826 2.351 . . . . 52.52 112.869 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -103.39 0.72 31.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.297 1.039 . . . . 52.15 111.198 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.77 169.96 15.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.234 0.613 . . . . 62.33 111.259 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.562 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 6.1 pt-20 -114.9 137.42 51.99 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.342 1.057 . . . . 74.42 108.859 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -120.69 130.33 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.529 0.732 . . . . 63.31 109.378 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -127.03 125.44 41.41 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.056 0.542 . . . . 60.4 110.634 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 65' ' ' ILE . 37.1 mtmt -76.58 132.26 39.38 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.508 0.723 . . . . 74.42 110.235 171.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 89' ' ' GLN . 66.6 t -123.65 91.58 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.047 -1.094 . . . . 61.44 108.047 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.715 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 55.5 p -82.17 -41.18 20.71 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.356 0.598 . . . . 65.31 110.219 -178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.46 156.83 18.54 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.282 -0.872 . . . . 72.13 110.449 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.25 -39.38 86.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.447 1.099 . . . . 71.11 111.687 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.42 -30.12 66.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.944 0.898 . . . . 74.31 111.471 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.575 ' HB2' HG13 ' A' ' 84' ' ' VAL . 9.7 mm100 -71.98 -39.59 69.2 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.31 110.276 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.69 -37.18 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.518 0.727 . . . . 34.11 111.396 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 94' ' ' LEU . 56.1 mtpt -75.04 -29.53 60.79 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.65 0.78 . . . . 72.23 110.278 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.55 -46.48 54.25 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.349 0.659 . . . . 71.53 110.958 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 97' ' ' LEU . 32.1 pt -66.17 -23.79 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 116.417 -0.356 . . . . 53.02 111.525 176.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD22 ' A' ' 19' ' ' LEU . 86.7 mt -64.55 -44.93 89.22 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 117.852 0.296 . . . . 74.24 110.333 168.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 54.8 mt-10 -63.89 -30.06 71.18 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.746 0.418 . . . . 74.42 111.146 173.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 35.8 t70 -82.05 -32.54 30.35 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.502 -0.772 . . . . 73.12 111.145 -173.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 93' ' ' ILE . 5.8 mp -75.34 -29.33 59.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.348 0.659 . . . . 52.51 110.703 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -37.6 26.38 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.714 0.406 . . . . 74.43 111.651 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 9.8 ptmm? -76.08 -11.85 60.01 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 110.39 -0.226 . . . . 75.24 110.39 168.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 65.43 91.05 0.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.568 1.547 . . . . 72.34 110.645 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.22 138.05 34.0 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.079 -0.964 . . . . 62.53 112.431 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.5 t -168.05 165.79 13.35 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.419 0.688 . . . . 71.34 110.277 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.8 -7.53 28.49 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.897 0.879 . . . . 63.4 111.524 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 108' ' ' HIS . 38.9 mt-10 -76.81 40.43 0.24 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 125.49 1.516 . . . . 75.44 113.022 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -80.67 -9.11 59.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.413 0.685 . . . . 65.5 109.926 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -88.71 47.5 1.51 Allowed 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.089 1.356 . . . . 71.25 109.727 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.7 m80 70.11 126.21 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 125.591 1.556 . . . . 73.4 111.623 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.594 ' HB3' ' HB3' ' A' ' 104' ' ' GLU . 20.3 p80 -130.73 119.15 21.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.924 0.889 . . . . 72.4 109.699 -177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -167.93 138.75 2.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.854 -1.165 . . . . 73.41 107.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 . . . . . 0 CA--C 1.551 1.009 0 CA-C-O 118.641 -0.695 . . . . 64.32 109.488 174.499 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.685 -0.487 . . . . 70.21 109.685 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.91 18.78 74.69 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.538 0.524 . . . . 40.54 113.023 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -105.68 155.46 19.23 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.126 0.97 . . . . 45.21 110.326 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 38.1 ttmt -137.36 126.89 25.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.547 -0.908 . . . . 74.32 108.547 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD13 ' A' ' 79' ' ' LEU . 40.2 pt -98.86 143.09 13.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.549 -0.908 . . . . 74.0 108.549 167.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 93' ' ' ILE . 34.9 mm -113.72 136.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.944 -1.502 . . . . 61.54 106.944 169.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 69' ' ' ILE . 49.4 t -111.11 104.71 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.344 -1.354 . . . . 73.21 107.344 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 20' ' ' ALA . 46.6 mt -104.85 125.27 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.201 -0.666 . . . . 71.4 109.201 -172.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 65' ' ' ILE . 3.0 mp -94.87 93.14 3.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 106.511 -1.663 . . . . 74.33 106.511 -176.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -86.14 103.76 15.09 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.089 -1.078 . . . . 65.11 108.089 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 15.4 p -131.65 123.44 27.81 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.768 -1.105 . . . . 71.02 108.846 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 77.17 -54.66 0.55 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.802 1.641 . . . . 50.44 112.836 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.88 157.48 17.73 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.994 0.917 . . . . 70.44 111.214 -173.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -107.13 -13.42 15.17 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.992 1.317 . . . . 54.15 112.945 -169.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -60.17 -30.95 69.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.851 -0.531 . . . . 74.11 111.021 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 16' ' ' LEU . 6.1 mp -61.67 -38.98 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.718 0.807 . . . . 71.01 110.665 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -69.33 -39.41 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.401 1.08 . . . . 73.22 110.331 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -68.47 -39.03 81.54 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.764 0.826 . . . . 72.02 111.316 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD22 HD11 ' A' ' 94' ' ' LEU . 96.2 mt -70.6 -38.53 73.99 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.489 0.716 . . . . 74.04 110.271 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -51.47 -38.15 52.45 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.497 1.119 . . . . 53.53 112.47 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.74 -33.51 75.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.328 1.051 . . . . 72.04 111.125 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -75.99 -36.3 59.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.335 0.654 . . . . 72.53 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 HD21 ' A' ' 97' ' ' LEU . 2.0 mp -63.9 -55.04 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 122.774 0.43 . . . . 64.32 110.674 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -68.6 -18.87 64.41 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.197 0.443 . . . . 63.44 112.197 -176.566 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.93 -24.79 64.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.872 0.869 . . . . 73.34 111.711 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 75.1 mm-40 -69.91 1.28 4.63 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.802 0.841 . . . . 75.34 112.953 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.48 7.38 55.86 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.212 -0.755 . . . . 54.23 111.212 -172.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 8.9 mt -94.12 175.48 6.69 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.919 0.887 . . . . 74.14 109.682 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -122.73 153.08 39.94 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.984 -0.447 . . . . 74.31 110.276 161.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 24' ' ' LYS . 94.5 t -115.93 139.75 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.639 1.176 . . . . 65.55 109.19 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 91.5 m-85 -107.68 112.35 25.0 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 107.315 -1.365 . . . . 63.53 107.315 171.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.1 mm -87.23 121.68 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 108.515 -0.92 . . . . 62.52 108.515 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD13 HG11 ' A' ' 59' ' ' VAL . 35.3 mt -96.18 101.97 13.69 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.575 -0.898 . . . . 75.24 108.575 171.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.13 121.04 29.04 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.199 -1.364 . . . . 62.21 108.433 -173.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 65' ' ' ILE . 15.8 ptpt -127.91 119.6 25.9 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.733 0.813 . . . . 64.02 108.819 176.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 42' ' ' LEU . 7.2 t70 -135.77 166.41 23.34 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 107.574 -1.269 . . . . 70.03 107.574 176.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -84.22 -9.5 58.47 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.07 0.548 . . . . 74.41 111.245 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -129.03 108.02 10.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.594 1.158 . . . . 70.32 109.678 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.1 -27.8 64.02 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.343 1.238 . . . . 74.02 114.343 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.86 -59.81 4.07 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.723 -0.473 . . . . 71.41 109.723 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -76.07 -23.74 55.04 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.307 -0.406 . . . . 73.35 110.959 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 34' ' ' LEU . 6.7 tt -53.91 -56.27 19.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.83 0.852 . . . . 71.31 109.446 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.87 -18.54 53.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.947 -1.024 . . . . 74.4 111.354 -173.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.79 -47.29 84.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.659 -0.867 . . . . 75.21 108.659 167.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.39 -31.95 72.53 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 123.97 0.794 . . . . 74.12 111.027 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' HB ' ' A' ' 56' ' ' VAL . 35.9 mt -57.56 -48.23 83.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 109.919 -0.401 . . . . 60.43 109.919 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.05 -32.24 68.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.752 -0.658 . . . . 73.13 111.474 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 10.9 mmpt? -63.73 -53.78 45.66 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.274 0.359 . . . . 75.55 110.508 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.0 mt -62.14 -38.93 90.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.986 0.915 . . . . 64.31 111.808 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -68.37 -30.74 69.75 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 122.497 -0.127 . . . . 75.31 111.136 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -70.06 -32.54 70.69 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.863 0.465 . . . . 75.3 111.091 172.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -72.89 -17.58 61.5 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.0 0.92 . . . . 74.54 111.015 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 66.31 0.76 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 111.247 -0.741 . . . . 63.23 111.247 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -141.19 167.59 21.82 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.329 1.052 . . . . 73.14 108.505 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -109.3 121.26 44.78 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.07 -1.826 . . . . 63.53 106.07 164.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' HB ' HG23 ' A' ' 46' ' ' ILE . 19.9 t -126.47 143.84 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.91 -0.404 . . . . 74.44 109.91 -173.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.42 144.56 44.55 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.307 0.643 . . . . 73.42 109.73 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -79.39 129.0 34.05 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.457 -0.942 . . . . 72.04 108.457 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 HD13 ' A' ' 33' ' ' LEU . 8.3 m -125.52 157.27 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.612 0.765 . . . . 75.34 110.374 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.49 -73.5 0.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.038 -0.983 . . . . 72.12 110.225 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.77 163.51 12.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.897 -0.779 . . . . 74.2 108.897 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.44 -35.39 70.9 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.852 0.461 . . . . 71.34 110.998 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.13 -40.89 62.01 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.076 0.95 . . . . 73.05 111.45 165.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.42 -36.85 71.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.963 0.905 . . . . 61.14 110.249 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 ' HE3' ' A' ' 35' ' ' LYS . 63.4 mt -61.77 -51.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.896 0.878 . . . . 71.34 111.189 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.99 -36.08 83.24 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.195 0.598 . . . . 61.45 110.63 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -30.54 67.95 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.758 -1.11 . . . . 72.12 110.185 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.438 ' CZ3' HD11 ' A' ' 72' ' ' ILE . 5.7 t90 -65.34 -31.48 72.63 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.923 0.889 . . . . 75.32 110.657 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -83.23 -34.65 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.082 0.553 . . . . 54.23 109.623 176.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.698 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 31.5 t70 -57.0 -42.22 79.89 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.792 -0.64 . . . . 71.43 110.897 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -74.37 -27.46 60.67 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.574 -0.727 . . . . 55.34 111.81 177.686 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' A' ' 68' ' ' TRP . 75.2 mt -59.94 -40.24 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 118.451 0.569 . . . . 75.3 109.722 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 50.7 mtmt -64.69 -17.26 63.93 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.129 -0.487 . . . . 75.13 111.502 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -92.23 -45.67 8.12 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.499 0.719 . . . . 73.01 111.464 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 21.2 mm-40 -73.37 -52.5 13.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.513 0.725 . . . . 65.4 111.502 -171.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -140.75 76.83 22.94 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.232 1.013 . . . . 64.11 110.375 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -91.85 15.18 1.68 Allowed 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.593 2.195 . . . . 74.35 113.907 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -92.28 12.5 22.24 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.999 0.519 . . . . 72.43 111.409 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -140.11 155.94 46.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.769 1.228 . . . . 75.2 109.662 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -78.31 145.38 35.38 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.829 0.452 . . . . 74.14 110.415 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -128.85 122.15 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.337 0.655 . . . . 75.04 109.766 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -127.26 137.92 52.97 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.787 0.835 . . . . 73.44 109.108 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -99.01 133.98 42.51 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.549 -0.537 . . . . 74.34 109.549 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 93' ' ' ILE . 46.2 t -125.29 96.01 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.475 1.11 . . . . 71.13 109.832 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.6 p -85.71 -37.56 19.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.185 0.594 . . . . 74.22 110.833 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.426 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 4.7 m-20 -97.17 151.8 19.45 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 61.33 110.687 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 20.3 tt0 -59.88 -39.43 85.27 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.912 0.758 . . . . 74.31 110.642 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -54.78 -34.39 62.6 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.663 1.185 . . . . 63.14 111.64 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 84' ' ' VAL . 82.0 mt-30 -76.74 -30.61 56.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.159 -0.928 . . . . 72.44 110.33 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -72.76 -25.49 61.2 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.499 0.72 . . . . 32.03 111.685 173.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 20.5 mtpp -78.99 -34.43 44.13 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.582 0.753 . . . . 70.22 109.816 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -72.48 -39.89 67.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.72 0.808 . . . . 73.32 111.294 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 84' ' ' VAL . 20.0 pt -64.47 -28.41 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 112.589 0.588 . . . . 63.25 112.589 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 19' ' ' LEU . 81.1 mt -52.64 -33.03 44.95 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.65 0.38 . . . . 74.34 110.962 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.522 ' HB3' ' HE2' ' A' ' 99' ' ' LYS . 41.7 mt-10 -81.95 -52.22 7.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.274 0.63 . . . . 71.34 110.939 172.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t70 -41.9 -45.34 3.69 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 125.657 1.583 . . . . 71.44 114.177 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.522 HD21 HG23 ' A' ' 23' ' ' ILE . 5.6 mp -55.88 -37.46 68.87 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.652 1.181 . . . . 74.24 111.61 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -86.97 -38.15 16.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.206 -1.361 . . . . 63.01 110.595 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 95' ' ' GLU . 68.2 mttm -59.46 -57.14 14.28 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.152 0.981 . . . . 72.35 111.172 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -156.77 136.0 12.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.403 -0.817 . . . . 72.22 110.41 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.11 -37.11 4.47 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.94 -0.573 . . . . 64.25 111.985 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.8 t -168.79 134.89 1.77 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.187 0.995 . . . . 74.32 110.234 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.9 -54.2 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.874 0.87 . . . . 71.44 110.239 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -71.05 -26.1 62.94 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.845 -1.07 . . . . 73.21 112.179 -170.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -92.27 91.38 7.69 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.031 -1.1 . . . . 70.24 108.031 175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.75 78.13 7.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.764 0.826 . . . . 73.34 111.315 -171.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -163.38 119.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 106.924 -1.509 . . . . 64.53 106.924 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -108.41 -44.73 4.04 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.236 -0.653 . . . . 70.43 109.236 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -86.38 120.09 27.35 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.804 -1.184 . . . . 75.15 107.804 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 CA--C 1.564 1.509 0 C-N-CA 124.772 1.229 . . . . 74.24 109.674 -171.491 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 109.335 -0.617 . . . . 72.33 109.335 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.611 ' HA3' ' HE3' ' A' ' 100' ' ' LYS . . . 64.91 56.57 15.62 Favored Glycine 0 C--N 1.352 1.45 0 O-C-N 123.587 0.554 . . . . 61.02 113.703 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' ' 80' ' ' GLU . 22.2 p -69.54 131.6 44.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.124 0.57 . . . . 74.15 110.486 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -165.38 152.29 10.38 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.377 0.671 . . . . 75.45 110.375 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.558 HG23 HD22 ' A' ' 79' ' ' LEU . 39.0 pt -136.52 156.95 36.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 125.066 1.346 . . . . 74.13 107.574 167.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG21 HD12 ' A' ' 93' ' ' ILE . 50.0 mm -120.6 137.36 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.039 -0.726 . . . . 74.25 109.039 176.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 69' ' ' ILE . 60.2 t -115.95 114.8 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.143 -1.058 . . . . 61.03 108.143 176.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.581 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 37.6 mt -110.57 120.24 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 72.45 110.869 -171.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.06 95.81 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 106.761 -1.57 . . . . 74.15 106.761 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.414 ' HB3' HD22 ' A' ' 34' ' ' LEU . 45.4 t -89.71 107.6 19.19 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.356 0.662 . . . . 64.42 110.824 -171.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 p -140.71 150.82 43.94 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.445 1.098 . . . . 74.33 109.428 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 67.62 -76.3 0.05 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.784 1.633 . . . . 73.35 111.839 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -83.76 132.03 34.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.033 0.533 . . . . 43.41 110.717 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -76.94 -11.53 59.82 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.93 -0.577 . . . . 70.1 109.896 169.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 m -52.12 -35.09 47.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.697 1.199 . . . . 65.0 112.371 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.01 -35.79 80.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.017 0.527 . . . . 73.15 110.68 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' HD21 ' A' ' 49' ' ' LEU . 40.5 mt-10 -68.6 -39.71 80.75 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.909 0.884 . . . . 54.21 110.028 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.14 -50.74 37.49 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.409 -0.814 . . . . 64.23 110.955 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -56.61 -39.74 74.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.336 1.054 . . . . 72.44 110.861 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.6 -32.87 8.81 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.292 1.437 . . . . 73.01 113.202 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -63.49 -49.54 73.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.091 0.956 . . . . 74.23 111.0 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 70.0 mmtt -70.21 -25.87 63.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.27 0.47 . . . . 63.51 112.27 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 97' ' ' LEU . 2.1 mp -62.5 -61.92 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.212 -0.662 . . . . 75.12 109.212 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.4 ptpt -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.134 0.79 . . . . 65.14 113.134 -173.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.33 -25.87 50.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.372 1.069 . . . . 72.05 111.653 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -68.96 -18.69 64.11 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.287 0.635 . . . . 72.11 112.181 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -16.1 6.78 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 122.928 0.299 . . . . 71.51 113.288 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -82.41 166.47 19.37 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.713 0.805 . . . . 74.21 111.237 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -97.73 148.89 22.89 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.975 0.91 . . . . 74.0 110.192 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 86.0 t -121.16 132.04 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.055 0.942 . . . . 73.24 110.097 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -104.67 129.45 52.84 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.772 -1.566 . . . . 72.3 106.772 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HB ' HG22 ' A' ' 56' ' ' VAL . 30.0 mm -108.8 116.62 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 118.765 0.711 . . . . 74.23 109.503 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HG11 ' A' ' 59' ' ' VAL . 39.0 mt -89.08 105.49 17.82 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.035 -0.728 . . . . 75.35 109.035 172.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -90.79 126.58 36.06 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.802 -1.09 . . . . 75.31 108.923 -174.333 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -131.56 120.13 22.47 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.75 0.82 . . . . 75.41 109.253 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.563 ' H ' HD12 ' A' ' 42' ' ' LEU . 16.3 t70 -134.28 157.38 46.47 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.226 -1.027 . . . . 74.42 108.226 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -82.81 -4.99 58.74 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.692 0.397 . . . . 64.12 111.607 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.07 109.56 12.53 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.421 -1.326 . . . . 54.33 107.421 169.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.53 -26.51 21.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.834 1.254 . . . . 74.41 114.283 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -41.38 34.24 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.703 0.401 . . . . 65.22 109.973 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -68.75 -32.47 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.221 -0.659 . . . . 71.21 109.221 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 36' ' ' ASP . 5.7 tt -60.08 -51.53 69.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.584 1.154 . . . . 73.03 109.329 168.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.79 -42.55 99.15 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.226 1.011 . . . . 72.51 111.96 -170.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 9.3 pt-20 -72.8 -38.76 67.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.884 -0.598 . . . . 63.31 110.0 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -56.53 -40.11 74.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.011 0.924 . . . . 70.44 110.817 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.515 HG23 ' HB ' ' A' ' 56' ' ' VAL . 78.4 mt -51.49 -52.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.219 0.95 . . . . 73.0 109.661 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.87 -27.01 65.42 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.631 0.772 . . . . 72.04 112.104 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 31.5 mmtp -66.12 -49.86 66.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.196 -0.668 . . . . 73.11 109.196 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB2' HG21 ' A' ' 56' ' ' VAL . 82.5 mt -70.25 -37.72 74.98 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.578 -1.192 . . . . 30.42 111.697 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 46.9 mtpt -71.02 -28.68 64.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.531 0.333 . . . . 74.21 111.158 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -63.55 -37.36 87.02 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.88 0.472 . . . . 71.23 110.724 171.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -76.29 -23.14 54.37 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.705 -0.68 . . . . 62.45 110.876 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 84.36 1.79 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.93 -0.868 . . . . 63.01 110.93 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 69.3 m-85 -150.44 139.56 21.13 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 125.054 1.342 . . . . 71.21 107.501 172.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -81.61 74.74 8.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.835 0.826 . . . . 73.1 110.636 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -87.54 130.76 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.221 -0.9 . . . . 63.42 110.472 -174.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 39.8 mmt180 -126.24 151.92 46.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.489 1.116 . . . . 63.13 109.825 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.41 126.0 36.35 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.66 0.784 . . . . 75.22 109.485 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG11 HD13 ' A' ' 33' ' ' LEU . 12.0 m -116.63 177.82 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.826 0.85 . . . . 64.04 109.817 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.32 -69.47 0.72 Allowed 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.152 0.981 . . . . 65.31 109.102 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -166.94 -169.83 1.4 Allowed 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.919 -0.771 . . . . 71.31 108.919 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.56 -23.98 59.71 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 113.339 0.866 . . . . 72.32 113.339 -166.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.08 -60.4 3.48 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.421 1.076 . . . . 63.14 110.975 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -24.83 58.6 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.788 -0.449 . . . . 73.3 109.788 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.76 -50.14 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.182 0.993 . . . . 64.45 110.964 173.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.97 -32.16 71.72 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.746 0.418 . . . . 72.43 111.281 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -81.43 -24.29 36.97 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.893 0.477 . . . . 53.22 110.966 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.43 ' CZ3' HG13 ' A' ' 72' ' ' ILE . 60.9 t90 -68.09 -42.28 80.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.14 -0.689 . . . . 65.0 109.14 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.508 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.2 mp -73.85 -34.4 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 116.114 -0.493 . . . . 73.21 110.174 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.54 -45.62 73.45 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.267 0.627 . . . . 64.11 111.114 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 5.1 ptpp? -78.34 -33.44 49.13 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.997 -0.525 . . . . 43.24 111.739 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG13 ' CZ3' ' A' ' 68' ' ' TRP . 14.8 mm -63.48 -38.59 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-N 118.49 0.586 . . . . 42.45 111.245 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -68.97 -28.26 66.46 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.451 0.469 . . . . 61.24 110.737 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -82.1 -30.25 31.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.972 0.909 . . . . 72.45 111.296 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 9.2 mm-40 -87.92 -40.46 13.93 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.48 0.657 . . . . 64.33 109.788 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -125.24 78.08 67.39 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.574 1.15 . . . . 74.23 108.656 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -89.08 1.37 6.04 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.192 2.594 . . . . 74.22 115.012 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -89.71 13.05 15.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.111 0.782 . . . . 75.1 113.111 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.558 HD22 HG23 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -149.65 164.72 34.4 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.521 0.728 . . . . 55.24 111.322 -175.647 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 3' ' ' SER . 6.0 mm-40 -77.23 152.17 34.83 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.934 -0.765 . . . . 52.33 108.934 174.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.84 123.21 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.479 -0.934 . . . . 62.31 108.479 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -118.5 132.18 56.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.98 0.912 . . . . 65.44 109.718 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.9 mtmm -91.72 119.91 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.993 -0.743 . . . . 74.22 108.993 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 55.6 t -106.16 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.466 -0.938 . . . . 64.14 108.466 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -88.99 -18.94 26.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.617 -0.719 . . . . 64.4 110.535 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.19 152.08 35.55 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.518 1.127 . . . . 72.22 110.144 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.43 -34.81 72.96 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.859 0.864 . . . . 73.14 110.79 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.53 -40.76 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.719 1.208 . . . . 75.45 111.71 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.1 mm100 -63.45 -41.79 98.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.572 0.545 . . . . 72.33 109.862 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.57 68.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.794 0.838 . . . . 63.35 112.441 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.58 -35.74 22.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.285 0.634 . . . . 73.13 111.927 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -70.4 -42.27 71.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.433 0.293 . . . . 64.44 111.128 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 18.6 pt -56.66 -29.14 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 112.945 0.72 . . . . 73.42 112.945 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 70.4 mt -48.15 -51.37 25.21 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.33 0.394 . . . . 72.12 110.337 170.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.15 -34.01 63.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.686 0.794 . . . . 64.44 111.117 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.6 t70 -61.98 -31.45 71.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.195 0.998 . . . . 74.12 110.377 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 23' ' ' ILE . 10.3 mp -78.74 -34.19 45.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.961 0.904 . . . . 70.22 111.323 175.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 1.6 mmmp? -73.37 -34.26 65.48 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 120.594 0.235 . . . . 74.13 111.434 -174.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.14 0.25 6.54 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 113.647 0.98 . . . . 74.4 113.647 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HE3' ' HA3' ' A' ' 2' ' ' GLY . 21.3 ptmt -71.63 -27.57 63.18 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.602 0.361 . . . . 63.21 110.74 175.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.05 87.38 0.48 Allowed Glycine 0 C--N 1.355 1.627 0 O-C-N 123.526 0.516 . . . . 61.32 112.429 -177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.5 t -136.03 163.57 30.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.68 0.792 . . . . 75.44 110.437 -177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.34 -60.13 2.44 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.382 -0.969 . . . . 74.33 108.382 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -84.13 130.0 34.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.876 0.471 . . . . 45.52 111.218 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -142.98 90.44 2.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.819 1.248 . . . . 63.42 108.967 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -65.28 107.67 1.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.637 0.775 . . . . 75.42 110.175 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -77.23 89.28 3.69 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.824 0.849 . . . . 74.2 109.884 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -75.89 89.29 2.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.99 -1.005 . . . . 50.23 109.436 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -127.43 150.95 49.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.374 0.669 . . . . 64.05 109.701 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 108.028 -1.101 . . . . 74.55 108.028 172.013 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.138 -0.319 . . . . 65.52 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.59 36.79 36.91 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.648 -0.981 . . . . 71.12 110.648 -169.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -78.14 130.14 36.01 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.936 0.894 . . . . 73.03 109.704 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.1 ptpt -88.14 174.12 8.42 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.507 -0.553 . . . . 73.12 109.507 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.525 HG23 HD22 ' A' ' 79' ' ' LEU . 31.7 pt -125.48 145.37 32.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.739 0.78 . . . . 73.35 109.127 170.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.435 HG13 HG21 ' A' ' 23' ' ' ILE . 44.5 mm -114.5 140.09 37.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.414 -1.328 . . . . 74.12 107.414 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 69' ' ' ILE . 62.0 t -121.34 115.04 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.288 -1.004 . . . . 74.32 108.288 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.0 mt -106.96 129.65 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.044 -0.724 . . . . 74.05 109.044 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.8 mp -95.27 95.3 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 106.287 -1.746 . . . . 73.24 106.287 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -105.26 136.26 45.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.929 0.491 . . . . 55.24 110.943 -171.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -139.23 94.0 2.75 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.089 -0.96 . . . . 71.35 110.47 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 77.41 -51.01 0.54 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.702 1.601 . . . . 63.43 113.843 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HB2' HD13 ' A' ' 16' ' ' LEU . 21.9 m-20 -53.35 115.9 2.15 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.338 1.055 . . . . 62.35 112.384 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -74.64 -17.66 60.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.724 0.809 . . . . 51.31 112.958 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -59.56 -38.73 81.89 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.695 0.798 . . . . 72.13 111.665 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' ASP . 6.3 mp -76.54 -24.06 53.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.458 0.303 . . . . 71.41 110.358 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.66 -47.75 44.89 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.991 0.917 . . . . 65.32 110.788 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.47 -39.09 71.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.061 -0.518 . . . . 52.04 110.987 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.54 -35.0 79.55 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.437 0.461 . . . . 73.33 110.688 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.76 68.47 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.473 0.709 . . . . 75.04 111.621 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -70.95 -33.61 70.65 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.453 -0.794 . . . . 71.41 110.958 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.03 -38.16 66.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.565 0.746 . . . . 52.04 111.338 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.435 HG21 HG13 ' A' ' 6' ' ' ILE . 2.0 mp -67.91 -41.38 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.696 0.399 . . . . 71.41 110.546 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.6 ptpt -73.73 -19.96 60.65 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 121.724 -0.61 . . . . 63.4 112.185 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.14 -20.19 65.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 74.01 111.224 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG3' HD23 ' A' ' 97' ' ' LEU . 20.3 mm-40 -69.14 -15.65 63.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.528 0.731 . . . . 73.31 111.223 174.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.06 20.64 10.99 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 116.626 -0.261 . . . . 73.45 113.056 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 97' ' ' LEU . 4.1 pp -125.89 170.1 11.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.397 0.679 . . . . 63.12 109.926 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -94.35 147.98 22.68 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.128 0.418 . . . . 75.03 112.128 -173.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 24' ' ' LYS . 40.7 t -125.53 133.47 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.892 0.877 . . . . 73.4 109.909 177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 76.2 m-85 -111.71 133.97 53.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.273 -1.38 . . . . 75.3 107.273 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -114.21 123.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 109.118 -0.697 . . . . 74.45 109.118 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD12 HG23 ' A' ' 65' ' ' ILE . 47.8 mt -104.73 112.66 25.84 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.978 -0.749 . . . . 61.2 108.978 176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -97.6 128.18 44.12 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.191 0.996 . . . . 64.54 109.711 -175.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.5 ptmm? -140.27 120.69 14.05 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.57 0.748 . . . . 64.22 109.026 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t70 -132.89 171.36 14.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.383 -0.969 . . . . 72.54 108.383 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -74.02 -30.99 62.73 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.263 0.625 . . . . 53.13 111.414 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -118.62 106.48 12.66 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.672 -0.862 . . . . 72.22 108.672 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 12.8 pt-20 -58.1 -18.63 26.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.071 1.508 . . . . 72.24 115.071 -175.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -74.75 -57.08 4.14 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.773 0.715 . . . . 71.04 110.782 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -66.46 -28.58 68.7 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.771 0.428 . . . . 72.34 110.063 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 34' ' ' LEU . 26.9 tp -55.94 -57.58 11.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.112 1.365 . . . . 75.01 111.611 170.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HG2' HD12 ' A' ' 46' ' ' ILE . 47.7 mt-10 -80.47 -13.78 58.83 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.06 -0.518 . . . . 71.34 112.019 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.6 mm-40 -69.47 -45.47 68.94 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.224 -0.658 . . . . 64.12 109.224 167.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.11 -36.37 77.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.878 0.871 . . . . 75.22 110.354 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 43' ' ' GLU . 46.5 mt -61.19 -43.76 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.562 0.745 . . . . 71.31 110.439 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 25.1 mm-40 -67.57 -35.86 79.81 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.176 0.297 . . . . 64.55 110.97 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 41.7 mmtm -65.3 -42.99 92.52 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.925 0.49 . . . . 71.42 110.044 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.0 -38.14 69.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.876 -1.056 . . . . 63.41 112.085 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -67.64 -33.82 75.72 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.144 -0.347 . . . . 72.54 110.448 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -67.41 -33.41 75.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.118 0.567 . . . . 73.21 111.671 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.79 -10.62 60.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.244 0.617 . . . . 44.33 111.082 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.26 65.0 1.22 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 111.725 -0.55 . . . . 51.33 111.725 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.69 138.25 32.31 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.725 -0.843 . . . . 62.21 108.725 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.73 97.51 5.19 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.915 -1.143 . . . . 62.01 107.915 168.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HB ' HG23 ' A' ' 46' ' ' ILE . 14.3 t -107.47 136.18 43.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.221 -0.9 . . . . 74.14 108.958 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -128.72 144.64 51.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.945 0.898 . . . . 71.1 108.601 -176.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -86.26 129.81 34.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.421 -1.325 . . . . 74.22 107.421 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 35' ' ' LYS . 10.0 m -119.62 157.67 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.421 0.688 . . . . 74.24 109.834 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -78.99 -45.63 19.85 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.943 -1.026 . . . . 71.35 110.399 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.5 176.23 9.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.598 -1.183 . . . . 74.31 108.796 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.9 -24.42 60.84 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.114 0.415 . . . . 71.24 110.208 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.16 -52.5 34.83 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.523 1.129 . . . . 53.01 110.401 163.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.12 -34.24 77.62 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.799 -1.091 . . . . 63.32 110.515 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 33' ' ' LEU . 69.1 mt -64.54 -49.34 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.229 1.012 . . . . 73.21 112.506 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.91 -34.18 76.89 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 121.13 0.49 . . . . 71.5 111.427 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -77.35 -29.53 53.43 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.295 -0.866 . . . . 62.21 110.914 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.9 t90 -64.7 -45.01 88.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.046 0.938 . . . . 75.51 108.919 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -72.54 -32.39 41.4 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 72.05 110.094 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.71 -50.71 67.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.772 0.829 . . . . 73.43 110.629 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -74.35 -28.8 61.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.837 -0.619 . . . . 63.42 111.519 -176.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -64.91 -41.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.582 0.353 . . . . 55.25 110.482 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -67.36 -31.1 71.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.307 0.643 . . . . 65.34 111.017 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -74.45 -41.49 60.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.047 0.939 . . . . 72.42 110.469 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.7 mm-40 -70.92 -42.67 69.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.393 0.677 . . . . 54.13 110.18 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.34 88.51 43.92 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.148 0.979 . . . . 73.32 109.858 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -86.06 -2.83 8.81 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 122.846 2.364 . . . . 74.12 113.241 173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -72.73 -0.02 12.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.51 0.559 . . . . 70.4 112.51 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.525 HD22 HG23 ' A' ' 5' ' ' ILE . 1.2 pp -142.16 165.64 26.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.205 1.002 . . . . 61.13 110.79 -175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.68 143.55 27.11 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 108.436 -0.95 . . . . 71.13 108.436 168.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.58 111.74 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.423 -0.954 . . . . 72.22 108.423 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -110.65 114.27 27.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.982 0.913 . . . . 74.31 109.815 -170.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.0 mtmm -76.79 120.55 22.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.27 -0.641 . . . . 75.12 109.27 172.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 93' ' ' ILE . 63.1 t -113.9 90.93 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.711 1.204 . . . . 74.13 108.809 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 45.2 p -84.73 -37.5 20.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.004 -0.544 . . . . 73.51 110.435 -177.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.569 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 5.1 m-20 -98.18 146.97 25.07 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.692 0.797 . . . . 50.13 110.378 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -36.46 70.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.9 1.28 . . . . 73.15 110.703 168.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 4.2 m-20 -52.35 -44.54 65.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.111 -0.949 . . . . 61.15 110.961 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 72.8 mt-30 -65.53 -36.2 83.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.609 0.764 . . . . 73.21 111.111 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.94 -29.92 71.05 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.784 0.677 . . . . 71.42 111.367 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' LEU . 96.3 mttt -82.55 -32.44 28.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.927 -0.579 . . . . 55.55 112.189 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.7 mm100 -68.0 -43.68 78.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.928 0.331 . . . . 54.2 110.889 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 97' ' ' LEU . 16.5 pt -65.13 -28.33 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.544 0.572 . . . . 52.41 112.544 177.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 91' ' ' LYS . 87.4 mt -53.82 -43.96 69.83 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.794 -0.447 . . . . 73.02 109.794 169.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 14.2 mm-40 -79.05 -26.96 43.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.996 0.918 . . . . 75.44 111.561 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.47 -42.8 95.69 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.56 0.744 . . . . 73.45 109.975 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 28' ' ' LEU . 6.7 mp -70.21 -25.05 63.23 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.387 -1.279 . . . . 64.42 110.708 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 45.1 mmtm -80.8 -36.67 31.4 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.192 0.597 . . . . 73.41 110.719 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 65.7 mttm -64.89 -46.74 80.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.342 0.657 . . . . 51.23 109.964 174.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? 59.36 100.14 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.1 1.36 . . . . 72.32 111.377 174.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.96 164.8 50.43 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 115.866 -0.607 . . . . 61.21 112.824 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 m -63.03 126.83 28.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.46 0.704 . . . . 55.44 111.008 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 103' ' ' LEU . 2.6 pt? -109.2 10.89 25.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.126 0.571 . . . . 61.01 110.171 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -76.93 133.23 39.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.147 0.579 . . . . 64.33 110.041 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -119.21 144.4 46.74 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.511 -0.922 . . . . 73.41 108.511 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -91.92 35.55 0.98 Allowed 'General case' 0 N--CA 1.484 1.23 0 CA-C-O 121.761 0.791 . . . . 74.2 109.696 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -134.3 107.05 7.42 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 125.486 1.514 . . . . 74.34 107.001 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -66.79 141.63 57.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.486 0.491 . . . . 65.43 112.144 -171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -132.6 138.15 47.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.524 1.13 . . . . 73.51 109.379 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.1 m170 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 108.535 -0.913 . . . . 75.03 108.535 173.068 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.352 -0.61 . . . . 61.12 109.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.0 85.36 0.1 OUTLIER Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.752 -0.539 . . . . 61.24 111.752 171.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -136.83 99.77 4.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.6 1.16 . . . . 64.21 109.937 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 28' ' ' LEU . 15.1 ptpt -145.38 136.22 24.55 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.968 -1.123 . . . . 74.05 107.968 163.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 HG23 HD22 ' A' ' 79' ' ' LEU . 38.9 pt -105.5 142.91 17.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 109.326 -0.62 . . . . 73.31 109.326 175.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.51 ' HB ' HG22 ' A' ' 30' ' ' VAL . 45.2 mm -116.0 116.37 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.067 -1.086 . . . . 63.12 108.067 173.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 41.4 t -102.06 109.84 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.472 -0.936 . . . . 73.32 108.472 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.615 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 18.6 mt -102.66 119.99 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.451 0.7 . . . . 73.35 111.164 -172.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG13 HD13 ' A' ' 65' ' ' ILE . 2.7 mp -87.53 89.72 3.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 N-CA-C 106.265 -1.754 . . . . 54.35 106.265 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.49 ' HB3' HD22 ' A' ' 34' ' ' LEU . 39.8 t -88.78 102.8 15.37 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.536 -0.542 . . . . 62.1 109.536 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -94.89 73.53 3.53 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.234 -0.894 . . . . 75.34 109.687 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 74.89 -33.9 0.25 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 125.304 1.442 . . . . 71.21 114.14 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 16' ' ' LEU . 14.8 t70 -75.87 136.19 40.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.151 0.58 . . . . 54.05 111.799 -166.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -84.08 -20.56 32.4 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.187 0.81 . . . . 74.54 113.187 -168.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -59.21 -34.73 72.52 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 122.158 -0.339 . . . . 64.24 111.024 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 13' ' ' ASP . 6.0 mp -70.85 -27.99 64.25 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.169 0.588 . . . . 73.51 110.71 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.44 -44.97 33.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.328 1.051 . . . . 63.45 111.325 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.9 -34.18 62.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.025 -0.534 . . . . 75.22 111.175 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.86 -37.58 84.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.998 0.519 . . . . 43.52 109.917 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.99 -39.27 68.85 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.422 0.689 . . . . 72.22 111.699 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -67.97 -38.48 82.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.339 -0.846 . . . . 75.21 111.185 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.14 -47.02 86.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.685 0.615 . . . . 62.34 109.834 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 HG21 HG13 ' A' ' 6' ' ' ILE . 1.9 mp -68.94 -54.05 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 114.824 -1.08 . . . . 73.22 111.673 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.3 ptpt -70.71 -21.89 62.51 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.983 0.735 . . . . 75.0 112.983 -172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.48 -26.7 65.47 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.748 0.655 . . . . 62.32 111.261 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.11 -12.72 61.33 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.68 0.792 . . . . 72.5 112.478 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.24 -0.69 11.54 Favored Glycine 0 N--CA 1.474 1.192 0 N-CA-C 114.375 0.51 . . . . 53.52 114.375 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -100.41 158.51 15.84 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.618 0.709 . . . . 75.32 110.306 179.2 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -84.79 143.02 29.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.885 0.474 . . . . 42.31 111.49 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' A' ' 6' ' ' ILE . 53.5 t -122.44 127.47 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 64.0 109.455 171.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.06 113.13 26.45 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.649 -0.871 . . . . 72.13 108.649 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.447 ' HB ' HG22 ' A' ' 56' ' ' VAL . 35.0 mm -89.55 107.92 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.239 -0.652 . . . . 73.23 109.239 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 65' ' ' ILE . 48.5 mt -89.61 104.15 16.73 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.461 -0.94 . . . . 55.35 108.461 172.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -85.69 124.39 32.16 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.84 -0.8 . . . . 62.0 108.84 -174.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.56 123.43 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.704 -0.85 . . . . 73.11 108.704 168.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.41 166.81 21.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.736 0.815 . . . . 64.51 109.056 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -74.62 -43.72 54.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.866 0.466 . . . . 73.24 110.862 177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.03 152.2 20.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.68 -0.489 . . . . 65.23 109.68 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HG3' ' HG2' ' A' ' 40' ' ' LYS . 10.3 pt-20 -75.63 -45.94 34.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.828 0.851 . . . . 65.33 110.875 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG2' ' HG3' ' A' ' 39' ' ' GLU . 32.4 mmtp -83.19 -36.14 24.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.029 0.532 . . . . 70.23 110.49 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -69.88 -30.44 67.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.901 0.48 . . . . 74.13 110.482 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 34' ' ' LEU . 57.9 tp -56.39 -55.66 30.78 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.88 0.872 . . . . 50.11 110.728 167.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 7.8 tp10 -63.64 -42.32 98.14 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 124.114 0.884 . . . . 73.44 112.402 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.74 -34.02 76.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.019 0.528 . . . . 63.42 111.114 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -65.06 -39.12 92.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.506 0.723 . . . . 70.3 110.21 175.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.476 ' HA ' HG11 ' A' ' 56' ' ' VAL . 93.3 mt -61.49 -45.72 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.112 0.965 . . . . 74.12 110.165 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -61.17 -45.47 94.49 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.277 0.631 . . . . 72.13 110.98 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 7.5 mmpt? -64.28 -47.64 78.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.361 -0.836 . . . . 72.15 111.667 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.556 ' HB2' HG21 ' A' ' 56' ' ' VAL . 87.5 mt -70.06 -34.98 73.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.859 0.464 . . . . 55.21 111.151 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -65.4 -37.66 87.63 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.019 0.372 . . . . 52.23 110.819 173.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -62.04 -33.44 74.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.606 0.762 . . . . 71.42 111.584 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 75.4 mt-30 -75.4 -9.76 58.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.929 0.492 . . . . 73.25 111.349 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.84 21.27 11.33 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 123.315 0.483 . . . . 64.3 113.162 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.36 142.22 28.75 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.456 0.703 . . . . 74.13 110.576 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.91 89.05 6.34 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.273 -1.01 . . . . 64.32 108.273 171.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.9 t -98.55 126.13 51.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 115.289 -0.869 . . . . 75.13 109.58 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 28.3 mmm180 -120.4 145.03 47.58 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.244 1.017 . . . . 61.24 109.083 -175.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -91.63 120.34 32.32 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.501 -0.926 . . . . 73.33 108.501 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 65' ' ' ILE . 9.5 m -118.64 146.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.17 0.988 . . . . 75.45 109.148 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.46 -41.0 80.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.949 0.5 . . . . 71.43 111.114 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -171.33 173.0 5.01 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.402 0.681 . . . . 45.22 110.328 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.1 p-10 -73.35 -23.76 60.25 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.764 0.826 . . . . 73.2 111.692 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.37 -39.12 75.37 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.605 0.362 . . . . 75.3 111.172 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.6 -36.14 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.405 0.682 . . . . 72.22 111.089 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 9' ' ' ILE . 67.6 mt -55.86 -34.33 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 115.23 -0.895 . . . . 72.21 111.587 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.74 -42.86 79.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.965 0.506 . . . . 74.53 111.87 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -27.32 55.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.805 0.842 . . . . 71.21 110.269 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 30.4 t90 -72.36 -32.82 66.78 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.466 0.706 . . . . 63.33 110.186 -178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.554 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -81.49 -38.45 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 109.685 -0.487 . . . . 73.33 109.685 172.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.589 ' HA ' ' HD3' ' A' ' 73' ' ' LYS . 26.2 t70 -56.06 -39.52 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.807 0.843 . . . . 73.25 111.82 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -64.55 -39.91 94.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.936 -0.574 . . . . 70.43 111.681 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -75.59 -30.51 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 122.651 0.38 . . . . 74.24 110.528 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 70' ' ' ASP . 56.6 mtpt -60.1 -34.58 73.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.462 0.649 . . . . 74.55 110.0 170.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 25.8 ttmt -82.67 -37.19 25.19 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.065 1.346 . . . . 74.5 111.245 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 32.9 mm-40 -78.44 -52.16 8.97 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.048 0.539 . . . . 74.52 110.401 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -126.73 90.03 50.68 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.245 1.018 . . . . 65.32 109.146 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.13 6.98 5.48 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.58 2.187 . . . . 61.32 112.941 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.78 11.77 36.1 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.134 0.974 . . . . 73.41 112.474 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.444 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -130.77 154.3 48.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.253 0.621 . . . . 72.21 110.959 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 35.4 mm-40 -80.11 140.01 36.62 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.198 -0.667 . . . . 72.23 109.198 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 69' ' ' ILE . 13.9 t -127.18 116.02 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.722 -0.844 . . . . 73.24 108.722 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 93' ' ' ILE . 25.0 tpp180 -115.18 125.1 53.01 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.92 -0.77 . . . . 75.42 108.92 175.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.7 122.51 34.32 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.812 -0.81 . . . . 72.23 108.812 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.615 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 56.1 t -96.96 88.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 107.769 -1.197 . . . . 75.03 107.769 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 p -78.55 -27.26 45.86 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.452 -0.795 . . . . 62.43 110.142 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.13 160.18 39.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 55.43 109.759 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.27 -39.14 66.61 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.401 1.08 . . . . 75.21 112.576 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 21.9 t70 -56.18 -38.22 70.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.045 0.938 . . . . 73.33 111.555 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -68.73 -33.23 73.57 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.251 0.62 . . . . 64.44 111.211 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -69.04 -22.64 64.03 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.52 111.774 173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -84.74 -27.7 26.77 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.603 0.761 . . . . 70.42 111.291 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.4 mm-40 -74.57 -37.96 62.81 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.815 0.446 . . . . 74.54 111.803 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 24.3 pt -60.31 -27.42 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.452 0.908 . . . . 63.11 113.452 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.03 -39.83 66.52 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.733 0.413 . . . . 72.43 110.707 166.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 98' ' ' LYS . 49.7 mm-40 -82.1 -26.0 33.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.423 0.689 . . . . 75.14 112.705 175.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -62.41 -40.28 96.01 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 122.855 0.462 . . . . 64.15 110.239 178.363 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 93' ' ' ILE . 9.1 mp -69.24 -39.37 78.54 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.545 -0.752 . . . . 33.34 111.966 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -79.94 -33.66 39.46 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 111.9 0.333 . . . . 75.02 111.9 -173.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.611 ' HG3' ' HG2' ' A' ' 100' ' ' LYS . 18.2 ptpt -72.6 -28.56 62.85 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 71.45 110.664 175.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 20.2 ptmt -163.81 117.09 1.47 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.606 0.763 . . . . 72.02 110.466 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.73 -63.55 3.81 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 110.298 -1.121 . . . . 64.23 110.298 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -158.54 -14.33 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.536 1.135 . . . . 73.35 111.092 168.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 mp -107.16 70.42 0.79 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.318 1.047 . . . . 73.13 108.603 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 148.16 46.31 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.735 -1.12 . . . . 71.34 111.286 175.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -91.71 16.7 10.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.576 0.75 . . . . 53.13 109.702 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -106.75 -10.82 15.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.654 0.782 . . . . 61.43 112.008 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -63.23 146.08 54.17 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.166 0.439 . . . . 53.13 110.199 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -69.02 135.26 50.59 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.275 0.63 . . . . 75.32 111.455 -165.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 68.43 10.49 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.871 0.868 . . . . 73.42 110.812 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 27.9 m80 . . . . . 0 C--O 1.248 1.02 0 C-N-CA 124.434 1.093 . . . . 75.15 108.397 174.809 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.447 0.165 . . . . 71.3 110.716 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.69 56.56 4.88 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 111.646 -0.582 . . . . 54.0 111.646 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 7.0 m -78.3 131.85 37.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.917 -0.772 . . . . 53.44 108.917 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' NZ ' HD13 ' A' ' 28' ' ' LEU . 15.5 ttpp -164.35 132.16 3.37 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.397 0.679 . . . . 72.04 109.584 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.2 pt -121.72 149.54 24.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 123.931 0.892 . . . . 74.53 110.296 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.91 120.31 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.231 -1.026 . . . . 74.04 108.231 173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 90.0 t -101.28 116.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.653 -0.869 . . . . 61.11 108.653 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 23' ' ' ILE . 60.7 mt -109.6 129.39 64.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 123.821 0.848 . . . . 75.35 109.227 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 1.9 mp -87.46 89.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 106.466 -1.679 . . . . 74.42 106.466 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 t -83.19 104.07 13.09 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 114.478 -1.237 . . . . 73.43 109.387 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -97.64 -159.58 0.75 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.537 -1.21 . . . . 72.14 109.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.39 -24.09 67.19 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.657 0.783 . . . . 62.42 111.628 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.75 109.31 4.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.781 0.432 . . . . 64.13 109.847 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.9 m -78.39 -7.24 57.11 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.338 0.655 . . . . 64.24 112.246 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -55.13 -33.24 62.71 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.454 0.645 . . . . 53.12 111.221 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.11 -28.02 66.11 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.373 1.069 . . . . 75.04 110.92 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.68 -40.22 16.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.825 1.25 . . . . 73.35 111.315 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.22 -36.25 61.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.728 0.411 . . . . 65.24 110.84 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 94' ' ' LEU . 87.8 mt -75.57 -23.66 56.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.789 0.436 . . . . 75.35 110.888 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.83 84.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.525 0.73 . . . . 73.35 110.759 172.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -67.76 -27.65 66.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.808 -1.087 . . . . 35.44 111.082 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.71 -42.1 61.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.028 0.531 . . . . 74.42 110.802 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 8' ' ' ILE . 80.2 mt -64.71 -52.29 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.153 0.981 . . . . 74.44 111.845 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -56.23 -24.09 40.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 123.732 0.645 . . . . 54.32 112.468 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.34 -25.0 66.61 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 71.23 112.402 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.56 -14.17 62.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.063 0.545 . . . . 62.23 111.035 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.38 25.88 6.17 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 116.138 -0.483 . . . . 71.02 113.097 171.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -123.65 151.89 42.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.089 0.555 . . . . 74.13 110.674 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -73.98 132.2 42.17 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.268 -0.878 . . . . 72.33 110.178 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.73 131.53 64.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 C-N-CA 123.465 0.706 . . . . 75.34 109.379 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 50.3 m-85 -103.09 132.26 49.48 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 124.069 0.948 . . . . 54.24 108.523 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 56' ' ' VAL . 41.1 mm -114.07 109.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.389 -0.967 . . . . 61.13 108.389 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD22 HG13 ' A' ' 59' ' ' VAL . 19.2 mt -86.45 102.97 14.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.2 -0.667 . . . . 75.52 109.2 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -84.25 120.49 26.28 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.095 -1.076 . . . . 73.2 108.095 -177.372 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.2 ptmm? -138.98 117.63 12.2 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.193 -1.41 . . . . 62.55 107.193 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.544 ' H ' HD12 ' A' ' 42' ' ' LEU . 27.5 t70 -134.14 164.32 27.61 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.735 0.814 . . . . 75.53 109.371 -172.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -52.1 -55.88 17.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.236 1.414 . . . . 73.13 111.421 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -100.5 153.15 19.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.91 0.884 . . . . 72.35 109.482 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.58 -44.34 28.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.826 0.851 . . . . 75.12 110.483 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.42 -45.63 75.54 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.09 -0.505 . . . . 51.42 109.888 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -53.53 -45.67 69.87 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.023 0.929 . . . . 71.51 111.229 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.5 tt -56.73 -58.12 9.48 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.491 1.119 . . . . 62.12 110.399 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.983 0.913 . . . . 73.0 112.443 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.68 -41.79 62.17 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.88 0.472 . . . . 74.13 110.138 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.72 -31.44 72.37 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.908 0.755 . . . . 64.21 110.368 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 mt -53.82 -55.7 12.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.954 0.784 . . . . 63.05 109.654 170.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.11 -34.87 79.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.376 0.671 . . . . 71.01 112.226 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.14 -36.82 69.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.6 . . . . 75.43 111.304 -176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 56' ' ' VAL . 88.0 mt -77.7 -34.98 52.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.465 0.306 . . . . 53.01 111.018 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 49.1 mtpt -62.95 -30.08 71.3 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.402 0.281 . . . . 73.03 111.398 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 t -58.97 -31.6 68.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.383 0.673 . . . . 71.35 111.568 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -91.03 13.22 17.37 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.447 0.699 . . . . 70.35 111.902 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.11 49.28 8.68 Favored Glycine 0 C--N 1.348 1.206 0 N-CA-C 113.333 0.093 . . . . 71.42 113.333 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.28 139.12 53.19 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.662 -0.866 . . . . 61.05 108.662 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -87.22 88.81 7.79 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.895 -1.15 . . . . 71.44 107.895 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 46' ' ' ILE . 17.0 t -89.51 125.27 42.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 113.993 -1.458 . . . . 53.44 109.311 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.36 149.74 50.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.107 0.963 . . . . 61.11 109.472 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HE2' HD22 ' A' ' 42' ' ' LEU . 38.7 ttmt -87.99 134.99 33.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.289 1.035 . . . . 73.31 109.944 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 33' ' ' LEU . 5.6 m -133.03 165.31 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.915 0.886 . . . . 64.21 108.846 170.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -85.54 -84.43 0.16 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.035 -0.984 . . . . 72.55 110.36 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.62 -177.5 4.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.699 0.8 . . . . 63.13 110.271 -174.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.98 -33.98 72.68 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.501 1.12 . . . . 64.13 112.634 -171.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -64.8 -38.55 91.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.331 0.652 . . . . 54.44 110.438 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.18 -38.78 75.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.199 0.6 . . . . 54.04 110.279 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 90.5 mt -63.78 -56.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.22 1.408 . . . . 65.41 112.408 -175.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.16 -34.63 76.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.23 0.538 . . . . 72.34 110.221 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -69.82 -35.75 75.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.792 -1.095 . . . . 74.53 110.457 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -65.78 -33.88 76.89 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.688 1.195 . . . . 74.23 111.429 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.671 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -74.9 -44.98 44.56 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 C-N-CA 123.269 0.628 . . . . 72.5 109.752 176.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.39 -45.01 89.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.712 -1.131 . . . . 70.25 111.56 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -36.21 80.51 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.434 0.693 . . . . 71.0 112.215 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.94 -41.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.667 0.387 . . . . 63.2 110.309 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -65.54 -20.39 66.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.523 0.514 . . . . 72.24 112.305 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -86.23 -43.49 12.93 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.943 0.497 . . . . 71.53 110.359 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.46 -35.87 80.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.833 0.853 . . . . 63.44 110.853 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -143.52 80.62 12.88 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.17 1.388 . . . . 72.1 108.738 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.65 -3.77 13.27 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.726 2.284 . . . . 72.42 113.639 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -71.61 -21.95 61.77 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.769 0.655 . . . . 72.14 112.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' SER . 1.3 pp -117.33 145.18 44.2 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.513 0.931 . . . . 74.33 113.513 -169.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -83.89 133.73 34.71 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.52 -1.218 . . . . 64.43 108.975 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.27 132.83 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.146 0.578 . . . . 55.13 109.496 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -126.57 129.21 48.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.855 0.862 . . . . 72.31 108.964 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.671 ' HG2' HG12 ' A' ' 69' ' ' ILE . 32.3 mtmm -85.15 138.74 32.19 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.16 0.584 . . . . 54.23 109.487 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -119.79 90.32 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.316 -0.994 . . . . 71.24 108.316 169.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 p -88.35 -10.48 49.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.912 0.485 . . . . 60.55 111.356 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -142.75 149.39 38.67 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.783 0.833 . . . . 72.12 110.494 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.27 -45.71 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.6 1.56 . . . . 61.21 113.343 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.94 -33.36 66.93 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.783 0.833 . . . . 65.21 111.673 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -69.1 -40.65 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.319 0.648 . . . . 61.41 110.793 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.412 0.685 . . . . 65.41 111.289 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.37 -35.42 61.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.522 0.729 . . . . 75.41 111.041 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -47.77 43.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.07 0.548 . . . . 72.55 109.612 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 30.8 pt -61.8 -23.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.124 0.787 . . . . 54.41 113.124 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 19' ' ' LEU . 88.7 mt -53.79 -38.73 64.8 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.827 0.285 . . . . 64.5 111.549 170.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -83.32 -32.99 26.0 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.629 1.172 . . . . 73.22 110.617 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.9 t70 -66.21 -45.28 81.28 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.415 -1.266 . . . . 72.51 111.899 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.9 -20.09 66.26 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.699 0.8 . . . . 71.41 111.815 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -74.0 -38.22 64.16 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.493 0.664 . . . . 74.14 110.196 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.12 -21.22 22.36 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 114.927 -1.033 . . . . 71.41 111.326 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? 56.35 80.37 0.15 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.827 1.251 . . . . 65.53 109.946 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.05 -144.28 31.99 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.078 -0.51 . . . . 61.22 112.733 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.2 p -163.25 -164.38 0.94 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.269 1.028 . . . . 65.5 108.318 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.19 62.32 6.69 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.469 -1.308 . . . . 63.22 107.469 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.53 94.81 1.01 Allowed 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 113.438 -1.71 . . . . 65.34 111.363 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -96.5 -14.83 22.04 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.036 0.534 . . . . 74.14 111.197 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -69.23 -36.88 77.67 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 120.7 0.286 . . . . 63.12 110.296 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -142.45 174.26 10.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 75.31 110.538 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -134.7 -178.19 4.96 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 124.853 1.261 . . . . 71.33 108.461 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -64.19 115.05 4.62 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.566 -0.901 . . . . 64.04 108.566 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 m80 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 123.954 0.902 . . . . 73.54 110.192 -173.649 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.0 ttpt . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 107.523 -1.288 . . . . 63.439999999999998 107.523 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' HB3' ' A' ' 29' ' ' GLU . 31.0 pt -130.43 148.26 33.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 108.698 -0.853 . . . . 72.140000000000001 108.698 169.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 93' ' ' ILE . 40.4 mm -112.19 141.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.373 -1.343 . . . . 71.409999999999997 107.373 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 69' ' ' ILE . 93.8 t -115.5 114.18 45.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.468 -1.308 . . . . 74.329999999999998 107.468 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.509 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 46.2 mt -109.07 126.22 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 N-CA-C 108.458 -0.942 . . . . 70.209999999999994 108.458 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -100.8 103.31 14.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.889 -1.523 . . . . 62.439999999999998 106.889 -173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -72.95 131.06 41.71 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.726 -0.842 . . . . 64.230000000000004 108.726 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -138.37 79.69 1.75 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.673 -0.862 . . . . 73.319999999999993 108.673 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 76.3 -62.39 0.42 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.045 1.738 . . . . 71.549999999999997 112.274 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.62 159.45 24.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.631 0.772 . . . . 71.519999999999996 111.36 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -100.27 -11.93 19.94 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.825 0.85 . . . . 63.210000000000001 113.177 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.496 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -58.56 -27.57 64.71 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.961 0.726 . . . . 72.019999999999996 112.961 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.6 mp -66.9 -46.94 73.33 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.35 0.66 . . . . 74.25 110.226 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 49' ' ' LEU . 3.3 pm0 -86.16 -20.7 28.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.965 0.906 . . . . 74.450000000000003 112.863 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 11.6 pt-20 -73.86 -35.6 64.76 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.73 0.696 . . . . 75.319999999999993 109.342 172.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 94' ' ' LEU . 63.7 mt -63.46 -33.99 76.78 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.525 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -53.06 -32.67 48.25 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.03 0.932 . . . . 74.219999999999999 112.739 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -39.69 92.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.524 0.73 . . . . 72.439999999999998 110.853 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.8 -35.99 72.79 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.758 0.823 . . . . 45.43 110.485 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.552 HG12 HD12 ' A' ' 93' ' ' ILE . 1.8 mp -63.2 -55.15 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.574 0.75 . . . . 73.219999999999999 111.203 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.6 ptpt -66.87 -23.56 66.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 111.93 0.345 . . . . 72.510000000000005 111.93 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.24 -27.52 68.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.907 0.883 . . . . 44.350000000000001 111.104 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.19 -5.53 36.35 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.566 0.747 . . . . 73.25 112.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 27.1 6.92 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.969 0.348 . . . . 71.219999999999999 113.969 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -128.71 176.29 7.92 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.938 0.895 . . . . 72.329999999999998 109.948 172.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.613 ' HB3' HG22 ' A' ' 5' ' ' ILE . 9.2 tp10 -99.07 157.89 16.03 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.771 0.428 . . . . 74.040000000000006 111.537 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 24' ' ' LYS . 42.5 t -123.43 151.62 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.401 1.08 . . . . 64.299999999999997 109.718 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 95.0 m-85 -129.84 132.82 46.6 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.015 -1.476 . . . . 65.019999999999996 107.015 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 56' ' ' VAL . 20.5 mm -104.86 128.84 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.878 -0.786 . . . . 71.409999999999997 108.878 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 HD12 HG23 ' A' ' 65' ' ' ILE . 59.0 mt -103.88 108.44 19.76 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.387 -0.968 . . . . 72.349999999999994 108.387 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.09 130.02 34.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 109.32 -0.622 . . . . 70.209999999999994 109.32 -174.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -131.29 123.88 29.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.871 0.868 . . . . 74.329999999999998 108.742 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 25.1 t70 -135.64 161.95 34.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.251 1.02 . . . . 75.120000000000005 109.501 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.61 -37.28 84.54 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.827 0.851 . . . . 72.019999999999996 111.437 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -115.9 114.99 25.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.243 1.017 . . . . 73.120000000000005 109.283 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.83 -15.66 55.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.253 1.205 . . . . 75.319999999999993 114.253 -174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -45.43 16.16 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.283 -0.636 . . . . 75.400000000000006 109.283 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -71.67 -26.55 62.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.044 0.938 . . . . 72.209999999999994 110.276 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 60.5 tp -61.56 -50.63 71.88 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.909 1.284 . . . . 62.030000000000001 110.681 169.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.71 -39.15 93.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.097 -0.956 . . . . 72.129999999999995 112.131 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 12.0 pt-20 -67.3 -39.92 85.99 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.88 -0.415 . . . . 70.540000000000006 109.88 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 34' ' ' LEU . 8.3 tppt? -58.3 -41.66 84.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.184 0.994 . . . . 73.340000000000003 111.097 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' A' ' 56' ' ' VAL . 92.4 mt -52.34 -50.52 37.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 O-C-N 124.654 1.221 . . . . 72.109999999999999 109.527 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -69.22 -31.48 70.09 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.9 0.88 . . . . 75.030000000000001 111.83 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.9 mmmt -66.07 -45.17 82.24 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.28 0.562 . . . . 64.450000000000003 110.132 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 17' ' ' GLU . 97.1 mt -75.75 -34.74 60.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.959 -1.019 . . . . 74.109999999999999 111.055 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.7 mtpt -67.73 -31.59 71.62 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.989 0.359 . . . . 74.430000000000007 110.542 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 t -61.01 -43.22 99.21 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.454 0.701 . . . . 72.420000000000002 110.588 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.1 -22.29 63.05 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.097 0.559 . . . . 62.399999999999999 111.748 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.86 30.21 3.3 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 122.867 0.27 . . . . 74.310000000000002 113.313 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -112.94 114.51 27.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.921 . . . . 74.420000000000002 108.777 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.49 97.01 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.105 -0.702 . . . . 53.32 109.105 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 46' ' ' ILE . 25.3 t -95.46 135.1 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.046 -0.979 . . . . 74.530000000000001 109.802 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.92 145.6 44.55 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 107.372 -1.344 . . . . 71.219999999999999 107.372 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -94.01 125.21 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.631 -1.248 . . . . 70.329999999999998 107.631 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 33' ' ' LEU . 14.9 m -121.05 177.04 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.785 0.834 . . . . 72.420000000000002 109.621 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -83.79 -78.69 0.22 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.181 -0.674 . . . . 61.229999999999997 109.181 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.71 -163.5 1.73 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.6 -0.889 . . . . 73.409999999999997 108.6 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 36.7 t70 -67.1 -25.84 66.41 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.506 0.722 . . . . 71.409999999999997 112.853 -164.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.01 -51.57 67.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.696 0.799 . . . . 74.340000000000003 110.642 171.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.92 -28.81 55.42 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.03 -0.986 . . . . 64.5 111.161 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 9' ' ' ILE . 95.9 mt -62.15 -46.74 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.866 0.866 . . . . 62.409999999999997 110.23 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.4 -42.01 90.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.617 0.767 . . . . 74.310000000000002 111.778 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -70.17 -34.52 73.09 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.468 -0.787 . . . . 64.439999999999998 110.701 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 72' ' ' ILE . 57.2 t90 -66.02 -43.71 86.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.894 0.878 . . . . 74.510000000000005 109.957 -177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 mp -66.08 -43.96 92.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.27 0.628 . . . . 75.129999999999995 109.877 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.35 -37.21 69.71 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.852 0.861 . . . . 74.209999999999994 111.163 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -46.97 79.09 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.879 1.272 . . . . 74.519999999999996 111.15 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 68' ' ' TRP . 37.7 mm -65.81 -35.91 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.302 0.641 . . . . 63.409999999999997 111.127 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 69' ' ' ILE . 54.4 mtpt -64.0 -35.8 81.91 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.883 0.873 . . . . 74.049999999999997 111.039 176.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -77.2 -35.43 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.096 -0.956 . . . . 63.140000000000001 110.356 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -72.2 -41.76 66.57 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.614 0.765 . . . . 54.109999999999999 110.5 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -124.98 83.8 59.73 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 124.273 1.029 . . . . 72.510000000000005 109.148 -170.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -86.93 28.6 0.53 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.201 2.6 . . . . 74.239999999999995 112.43 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.1 -15.71 14.8 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 73.129999999999995 111.356 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -138.7 155.59 48.12 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.459 0.703 . . . . 64.030000000000001 112.321 -163.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 46.3 mt-10 -74.48 137.93 42.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.58 -0.896 . . . . 73.420000000000002 108.58 166.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 t -116.46 103.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 106.949 -1.501 . . . . 72.239999999999995 106.949 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.8 tpp85 -97.65 137.81 36.0 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.767 0.827 . . . . 73.439999999999998 109.646 -169.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -97.97 125.06 42.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.89 0.476 . . . . 73.120000000000005 110.435 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 93' ' ' ILE . 58.6 t -123.76 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.682 1.193 . . . . 72.109999999999999 109.282 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 43.9 p -88.54 -27.33 21.48 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.946 -0.471 . . . . 70.140000000000001 111.404 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -113.8 155.0 26.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.852 0.861 . . . . 74.209999999999994 110.557 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.01 -34.21 74.47 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.534 1.134 . . . . 70.030000000000001 111.486 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.78 -41.42 64.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.971 0.909 . . . . 74.530000000000001 111.196 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' HB2' HG13 ' A' ' 84' ' ' VAL . 62.0 mt-30 -74.18 -30.33 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.446 -1.252 . . . . 73.129999999999995 110.644 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.621 0.768 . . . . 54.450000000000003 111.528 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 94' ' ' LEU . 99.1 mttt -86.33 -22.69 26.57 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.579 0.751 . . . . 73.140000000000001 112.421 171.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.65 -47.41 54.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.043 0.537 . . . . 73.040000000000006 109.844 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.738 HD13 HG21 ' A' ' 84' ' ' VAL . 11.8 pt -60.46 -27.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 112.756 0.65 . . . . 60.409999999999997 112.756 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.635 HD11 HD22 ' A' ' 19' ' ' LEU . 97.3 mt -52.99 -49.1 66.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.542 0.337 . . . . 73.409999999999997 110.421 169.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -74.53 -26.78 60.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.579 0.752 . . . . 74.129999999999995 111.931 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.04 -42.43 94.32 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.284 1.034 . . . . 65.019999999999996 110.498 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.474 HD13 HD21 ' A' ' 28' ' ' LEU . 54.3 mt -79.62 -26.89 41.05 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 113.892 -1.504 . . . . 65.519999999999996 111.652 -176.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.272 0.558 . . . . 74.420000000000002 109.602 174.442 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 110.162 -0.31 . . . . 63.530000000000001 110.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.42 HG12 HD13 ' A' ' 79' ' ' LEU . 48.2 pt -122.36 151.36 26.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 108.027 -1.101 . . . . 64.120000000000005 108.027 166.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG21 HD12 ' A' ' 93' ' ' ILE . 50.2 mm -116.32 123.71 71.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.18 -1.044 . . . . 73.25 108.18 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 59.9 t -101.09 113.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.118 -1.067 . . . . 74.409999999999997 108.118 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.643 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 58.5 mt -108.8 123.59 64.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 N-CA-C 108.797 -0.816 . . . . 72.439999999999998 108.797 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.8 mp -98.51 95.21 4.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.982 -1.488 . . . . 71.450000000000003 106.982 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.534 ' HB2' HD22 ' A' ' 34' ' ' LEU . 41.2 m -88.19 105.01 17.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.879 -0.6 . . . . 54.509999999999998 109.583 -170.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -111.61 99.94 8.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.796 0.838 . . . . 75.409999999999997 109.359 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 73.75 -61.07 0.51 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.591 1.556 . . . . 61.32 112.663 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.51 117.35 4.78 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 74.420000000000002 111.609 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 t -72.01 -14.28 61.84 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.075 0.95 . . . . 73.230000000000004 111.665 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 m -54.26 -37.45 64.7 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.065 0.946 . . . . 73.040000000000006 111.886 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.05 -28.53 65.53 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.803 0.441 . . . . 43.219999999999999 110.855 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 49' ' ' LEU . 41.0 mt-10 -78.8 -40.43 33.03 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.869 0.868 . . . . 72.140000000000001 111.073 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.22 -34.7 55.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.762 0.425 . . . . 73.239999999999995 111.237 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -64.09 -39.06 93.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.384 0.673 . . . . 64.109999999999999 109.855 174.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -52.29 -38.01 57.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.479 1.112 . . . . 70.040000000000006 113.022 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -61.36 -41.17 96.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.619 0.768 . . . . 75.140000000000001 110.682 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -73.83 -30.51 62.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.415 0.686 . . . . 74.239999999999995 112.009 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 97' ' ' LEU . 1.9 mp -63.52 -54.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 123.211 0.319 . . . . 72.319999999999993 110.43 171.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.2 ptpt -67.39 -20.33 65.53 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.328 0.492 . . . . 73.329999999999998 112.328 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.71 -20.0 65.38 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.424 1.089 . . . . 72.140000000000001 111.797 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -75.84 -16.65 60.04 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.11 0.564 . . . . 74.549999999999997 112.2 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.55 20.09 2.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 114.623 0.609 . . . . 43.020000000000003 114.623 171.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.6 pt? -126.98 173.56 9.55 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.949 0.9 . . . . 72.400000000000006 110.044 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -92.61 150.41 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.685 0.394 . . . . 74.439999999999998 110.526 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 73.1 t -118.8 130.56 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.917 0.887 . . . . 75.120000000000005 109.593 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HB2' HG22 ' A' ' 7' ' ' VAL . 2.1 m-85 -104.38 144.39 31.71 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.725 -1.583 . . . . 53.130000000000003 106.725 171.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -119.75 136.53 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.445 -0.946 . . . . 62.109999999999999 108.445 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HB2' HG13 ' A' ' 9' ' ' ILE . 53.6 mt -107.71 103.07 12.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.833 -1.173 . . . . 43.210000000000001 107.833 165.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -84.69 128.93 34.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 106.906 -1.516 . . . . 73.310000000000002 106.906 -175.064 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -125.94 120.07 29.42 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.299 -0.63 . . . . 64.340000000000003 109.299 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 23.7 t70 -135.56 150.08 49.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.64 1.176 . . . . 63.210000000000001 108.066 175.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -75.3 -9.41 58.53 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.897 0.479 . . . . 63.109999999999999 112.291 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.47 108.94 14.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.821 -1.177 . . . . 62.530000000000001 107.821 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.0 pt-20 -62.81 -14.15 41.94 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.111 1.152 . . . . 75.420000000000002 114.111 -173.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -84.47 -47.89 10.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.727 0.411 . . . . 74.209999999999994 110.273 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.5 -35.91 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.719 0.807 . . . . 73.109999999999999 109.809 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 45.3 tp -56.17 -56.42 21.09 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.352 1.461 . . . . 54.039999999999999 110.866 170.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 46' ' ' ILE . 4.0 tp10 -60.56 -35.38 75.91 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.151 0.907 . . . . 74.25 110.692 -172.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 64.9 mm-40 -68.64 -46.93 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.462 0.705 . . . . 73.019999999999996 110.937 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -57.26 -39.95 76.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.193 0.997 . . . . 64.120000000000005 110.307 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.504 HG23 ' HB ' ' A' ' 56' ' ' VAL . 97.2 mt -56.96 -54.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 113.737 -1.574 . . . . 75.530000000000001 110.328 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.3 mm-40 -61.21 -34.11 74.57 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.819 0.699 . . . . 71.430000000000007 110.974 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 28.1 mmtp -70.0 -44.84 68.53 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.385 0.428 . . . . 74.439999999999998 110.777 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.8 mt -67.23 -33.25 74.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.524 0.515 . . . . 54.119999999999997 111.569 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 38.4 mtpt -70.8 -32.96 70.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.084 0.402 . . . . 71.129999999999995 110.773 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.9 t -69.01 -25.43 64.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.566 0.746 . . . . 72.0 110.717 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -81.79 -14.29 56.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.725 0.81 . . . . 75.129999999999995 111.329 171.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.07 2.35 33.89 Favored Glycine 0 N--CA 1.475 1.236 0 N-CA-C 114.297 0.479 . . . . 75.109999999999999 114.297 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -79.6 133.25 36.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 117.329 0.565 . . . . 71.150000000000006 109.706 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -81.94 89.09 6.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.617 0.723 . . . . 61.420000000000002 109.236 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -94.52 147.25 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 115.528 -0.76 . . . . 61.549999999999997 110.53 -174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.49 148.79 52.34 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 123.967 0.907 . . . . 74.030000000000001 108.646 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -88.24 111.36 21.58 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.439 1.096 . . . . 72.200000000000003 108.181 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.53 155.45 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 N-CA-C 108.844 -0.799 . . . . 73.340000000000003 108.844 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.48 -46.17 9.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.143 0.577 . . . . 71.140000000000001 111.507 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.89 167.31 20.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.781 0.432 . . . . 41.020000000000003 110.875 -167.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 7.8 p-10 -69.84 -19.21 63.46 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.767 0.827 . . . . 74.439999999999998 112.437 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.61 -47.68 77.7 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.519 -0.549 . . . . 71.420000000000002 109.519 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.29 -38.54 91.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.503 0.721 . . . . 74.540000000000006 110.141 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 82.7 mt -62.43 -42.97 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.733 1.213 . . . . 54.399999999999999 112.09 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.18 -43.93 83.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.804 0.442 . . . . 72.230000000000004 110.876 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -29.24 61.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.922 -1.036 . . . . 73.200000000000003 110.556 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . 38.1 t90 -67.0 -46.13 75.47 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.052 0.941 . . . . 73.540000000000006 109.405 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -74.32 -32.95 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.625 -0.509 . . . . 71.230000000000004 109.625 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 36.8 t70 -56.63 -43.43 80.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.675 0.79 . . . . 70.540000000000006 110.851 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.1 ptpt -76.69 -36.83 57.0 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.652 -0.69 . . . . 75.530000000000001 111.082 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -60.11 -38.72 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-N 118.761 0.709 . . . . 60.130000000000003 110.99 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 70' ' ' ASP . 10.0 mtmp? -67.22 -34.25 77.08 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.539 0.735 . . . . 64.409999999999997 111.065 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -82.1 -36.95 27.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 73.340000000000003 110.31 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.57 -36.64 37.89 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.806 1.242 . . . . 54.5 109.831 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -122.35 85.94 47.8 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.338 1.055 . . . . 74.150000000000006 109.198 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 -16.6 29.22 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.786 2.324 . . . . 75.230000000000004 112.327 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.01 -7.01 59.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.005 0.922 . . . . 74.439999999999998 112.987 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.9 pp -138.31 125.97 22.19 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.849 0.46 . . . . 64.109999999999999 111.108 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.97 129.48 40.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.474 0.709 . . . . 74.0 109.13 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 t -112.34 126.92 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.407 0.683 . . . . 73.230000000000004 109.251 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -115.62 138.28 51.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.911 0.884 . . . . 74.099999999999994 109.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' HG12 ' A' ' 69' ' ' ILE . 30.5 mtmm -96.17 126.09 41.14 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.427 -0.583 . . . . 53.119999999999997 109.427 172.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.772 HG21 HD13 ' A' ' 93' ' ' ILE . 71.3 t -117.17 92.13 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.421 1.088 . . . . 75.450000000000003 109.534 175.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 p -86.75 -25.05 24.89 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 122.266 -0.271 . . . . 71.209999999999994 110.858 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.81 160.08 20.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.888 0.875 . . . . 64.319999999999993 111.979 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -66.0 -40.72 91.39 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.594 1.158 . . . . 71.049999999999997 111.165 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.36 -28.94 70.04 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.419 0.287 . . . . 71.120000000000005 110.949 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.17 -33.16 67.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.282 0.633 . . . . 75.109999999999999 110.981 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.33 63.56 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.134 0.574 . . . . 64.030000000000001 112.128 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -86.8 -25.97 24.33 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.61 0.596 . . . . 74.129999999999995 112.61 167.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -49.43 66.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.829 -0.804 . . . . 63.130000000000003 108.829 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.772 HD13 HG21 ' A' ' 84' ' ' VAL . 14.7 pt -54.6 -31.75 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 113.377 0.88 . . . . 70.25 113.377 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.473 HD11 HD22 ' A' ' 19' ' ' LEU . 85.7 mt -50.64 -50.09 55.32 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.176 0.444 . . . . 72.019999999999996 111.186 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 -27.59 33.97 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 110.585 -0.154 . . . . 71.109999999999999 110.585 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.642 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 28.4 t70 -70.03 -29.63 66.73 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.408 0.683 . . . . 74.030000000000001 111.241 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 23' ' ' ILE . 6.9 mp -66.18 -28.33 68.68 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.712 0.805 . . . . 71.010000000000005 110.623 172.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 114.999 -1.0 . . . . 73.319999999999993 109.779 -176.843 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 23.3 ttmm . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 108.375 -0.972 . . . . 71.129999999999995 108.375 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.8 pt -119.67 142.65 34.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 N-CA-C 108.123 -1.066 . . . . 72.120000000000005 108.123 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.59 HG13 HG21 ' A' ' 23' ' ' ILE . 45.9 mm -117.68 130.76 72.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.704 -0.85 . . . . 75.099999999999994 108.704 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.98 104.54 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.875 -1.157 . . . . 74.209999999999994 107.875 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.05 125.74 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.822 0.849 . . . . 73.340000000000003 109.355 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.56 98.7 7.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.797 -1.557 . . . . 71.129999999999995 106.797 -175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.9 t -95.19 105.1 17.01 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 108.913 -0.773 . . . . 72.129999999999995 108.913 -177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -91.27 72.73 6.2 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.971 -1.013 . . . . 75.129999999999995 109.735 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.56 35.84 22.7 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-N 115.138 -0.937 . . . . 51.530000000000001 111.397 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB3' HD13 ' A' ' 16' ' ' LEU . 12.7 t70 -127.37 144.64 51.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.358 -0.839 . . . . 74.120000000000005 111.133 -177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -88.42 -34.48 17.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.099 0.96 . . . . 75.099999999999994 112.583 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m -52.92 -43.59 66.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.404 0.682 . . . . 75.230000000000004 112.296 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' ' 13' ' ' ASP . 5.8 mp -64.86 -28.99 69.93 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.176 0.59 . . . . 75.299999999999997 111.422 -176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.1 -39.39 49.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.165 0.986 . . . . 64.099999999999994 109.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.62 -46.87 87.95 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 115.0 -1.0 . . . . 74.329999999999998 109.816 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 15' ' ' THR . 63.9 mt -64.04 -44.37 92.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.54 1.136 . . . . 70.129999999999995 110.646 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.74 55.38 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.528 1.131 . . . . 72.310000000000002 112.863 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HD2' ' A' ' 24' ' ' LYS . 10.9 tpt180 -62.53 -31.59 72.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.228 1.011 . . . . 72.319999999999993 111.856 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.76 -39.48 57.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.555 0.742 . . . . 61.509999999999998 110.412 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.59 HG21 HG13 ' A' ' 6' ' ' ILE . 3.1 mp -68.26 -46.71 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.899 0.48 . . . . 72.219999999999999 110.874 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD2' ' HD2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -68.37 -21.87 64.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.302 0.482 . . . . 74.129999999999995 112.302 -177.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.04 -13.11 61.94 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.947 0.779 . . . . 45.140000000000001 111.772 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HG3' HD23 ' A' ' 97' ' ' LEU . 44.3 mm-40 -74.13 -4.04 33.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.631 0.772 . . . . 73.25 111.446 172.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 37.49 14.08 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.592 -1.003 . . . . 71.340000000000003 110.592 -170.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.635 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 16.8 mt -107.36 144.38 34.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.424 0.689 . . . . 72.439999999999998 109.298 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.68 108.31 17.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.689 0.796 . . . . 72.230000000000004 108.891 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.8 t -102.13 131.0 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.472 0.709 . . . . 65.400000000000006 109.727 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.39 133.55 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.831 1.253 . . . . 74.219999999999999 107.743 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.5 mm -114.49 119.12 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.469 -0.938 . . . . 73.109999999999999 108.469 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 59' ' ' VAL . 24.3 mt -92.84 98.63 11.51 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.024 -1.102 . . . . 64.109999999999999 108.024 173.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -90.05 129.65 36.33 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.717 -1.216 . . . . 70.129999999999995 107.717 -174.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -127.48 124.66 38.86 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.824 -0.806 . . . . 74.109999999999999 108.824 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 29.9 t70 -133.35 161.75 33.67 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.361 1.064 . . . . 61.340000000000003 108.159 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.89 -24.51 63.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.8 0.84 . . . . 74.239999999999995 111.226 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -125.69 115.77 20.62 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.097 0.959 . . . . 75.319999999999993 109.934 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 46.3 mt-10 -56.75 -22.91 39.0 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.473 1.286 . . . . 75.209999999999994 114.473 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 7.5 tmtt? -72.48 -57.74 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.26 -1.015 . . . . 74.519999999999996 108.26 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.25 -38.05 82.27 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.507 0.723 . . . . 70.319999999999993 110.889 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 31.5 tp -53.9 -48.97 69.6 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.253 1.421 . . . . 70.510000000000005 111.527 174.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.1 tt0 -74.3 -24.89 59.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.762 -0.653 . . . . 74.409999999999997 110.93 -174.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 49.2 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.236 -0.653 . . . . 74.319999999999993 109.236 173.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -60.48 -40.79 92.55 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.784 -1.098 . . . . 62.32 111.039 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.535 HG23 ' HB ' ' A' ' 56' ' ' VAL . 69.4 mt -53.01 -49.74 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.386 1.074 . . . . 74.329999999999998 110.239 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.054 0.541 . . . . 73.450000000000003 111.964 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.68 -42.11 92.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.699 0.799 . . . . 74.409999999999997 111.406 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' A' ' 56' ' ' VAL . 72.6 mt -73.59 -35.56 65.44 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.449 -0.796 . . . . 64.340000000000003 111.649 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.05 -23.7 65.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.831 0.453 . . . . 74.409999999999997 111.935 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -61.86 -29.07 69.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.056 0.543 . . . . 73.319999999999993 111.262 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -94.81 18.41 11.81 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.804 0.841 . . . . 73.549999999999997 111.158 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.77 73.39 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 119.265 -0.742 . . . . 62.149999999999999 114.796 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -67.15 127.92 34.43 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 117.695 0.748 . . . . 72.450000000000003 109.696 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.33 91.1 7.25 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.257 -1.016 . . . . 72.519999999999996 108.257 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.7 t -93.65 139.41 18.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.12 -0.945 . . . . 74.319999999999993 110.193 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.03 146.95 50.17 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.809 0.843 . . . . 74.430000000000007 109.249 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' HG3' HD21 ' A' ' 42' ' ' LEU . 39.9 ttmt -87.14 120.9 28.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.703 -1.221 . . . . 75.019999999999996 107.703 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 33' ' ' LEU . 10.4 m -119.96 149.54 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.926 0.89 . . . . 64.409999999999997 109.625 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.42 -58.75 3.09 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.765 0.666 . . . . 64.400000000000006 110.916 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -165.88 -167.36 1.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.556 -0.905 . . . . 65.319999999999993 108.556 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 1.4 m-20 -64.0 -24.9 67.89 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 123.93 0.892 . . . . 70.019999999999996 112.053 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.22 -56.71 16.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.301 1.041 . . . . 73.120000000000005 109.819 169.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.01 -30.08 64.86 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.678 -1.146 . . . . 70.109999999999999 110.799 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 69.7 mt -68.78 -53.67 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.77 1.228 . . . . 74.299999999999997 111.449 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.12 -35.51 73.58 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.994 0.518 . . . . 71.120000000000005 110.806 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.2 -24.63 54.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.109 -0.951 . . . . 72.25 110.901 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.534 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 23.6 t90 -72.24 -40.37 67.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.056 0.542 . . . . 74.219999999999999 110.274 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' HB2' ' A' ' 83' ' ' LYS . 2.0 mp -68.99 -36.63 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.927 -0.768 . . . . 73.140000000000001 108.927 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.86 -50.14 74.33 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.725 0.81 . . . . 54.439999999999998 111.341 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 17.4 ptpt -65.99 -34.02 77.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.237 0.336 . . . . 73.120000000000005 110.685 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.6 mm -69.06 -40.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.931 0.892 . . . . 71.25 111.866 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -67.83 -27.08 66.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.979 0.419 . . . . 65.540000000000006 110.171 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -82.68 -22.84 34.42 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.163 0.985 . . . . 74.230000000000004 110.74 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 20.8 mm-40 -78.28 -49.61 13.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.1 -0.704 . . . . 70.109999999999999 109.1 171.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HD2' HD21 ' A' ' 79' ' ' LEU . 39.0 mtt180 -134.39 96.58 15.32 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.058 0.943 . . . . 72.040000000000006 108.938 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -88.36 12.2 2.88 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.954 2.436 . . . . 70.439999999999998 112.235 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -104.47 7.76 35.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.196 0.998 . . . . 73.430000000000007 111.576 -172.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.526 HD21 ' HD2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -134.67 163.99 28.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.202 0.601 . . . . 72.310000000000002 112.111 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 6.9 mm-40 -72.99 130.4 40.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.76 -1.109 . . . . 74.209999999999994 109.096 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -125.57 107.09 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.064 -1.087 . . . . 75.230000000000004 108.064 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HG2' HG21 ' A' ' 93' ' ' ILE . 23.1 tpp180 -109.37 105.82 15.35 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.247 -0.649 . . . . 63.450000000000003 109.247 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' HB2' HG12 ' A' ' 69' ' ' ILE . 40.5 ttpt -72.63 120.25 17.98 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.542 -0.91 . . . . 72.019999999999996 108.542 169.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 72.8 t -116.49 92.39 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.509 1.124 . . . . 45.020000000000003 108.646 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -70.97 -43.89 67.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.602 0.761 . . . . 70.340000000000003 111.406 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.436 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 14.6 t70 -115.27 152.12 33.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 73.349999999999994 110.378 -174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.46 -34.14 68.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.793 1.237 . . . . 73.140000000000001 113.084 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.04 -37.16 68.86 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.502 1.121 . . . . 73.230000000000004 110.717 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' HB2' HG13 ' A' ' 84' ' ' VAL . 16.3 mt-30 -73.92 -33.91 64.16 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.561 -1.2 . . . . 70.340000000000003 110.366 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -70.5 -26.07 63.43 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.149 0.5 . . . . 55.149999999999999 111.487 175.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -79.07 -33.13 44.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.768 0.827 . . . . 61.310000000000002 111.193 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -78.32 -36.89 45.83 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.251 0.621 . . . . 74.329999999999998 110.884 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' HD13 ' A' ' 97' ' ' LEU . 21.6 pt -65.06 -25.73 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 113.366 0.876 . . . . 62.119999999999997 113.366 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.15 -37.5 2.08 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.334 0.588 . . . . 75.439999999999998 111.258 168.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.46 -41.08 14.7 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.653 1.181 . . . . 75.409999999999997 111.846 176.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.9 t70 -50.19 -37.85 37.1 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.3 1.04 . . . . 61.119999999999997 112.946 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.71 HD23 ' HG3' ' A' ' 26' ' ' GLU . 6.1 mp -62.99 -30.28 71.47 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 125.206 1.402 . . . . 75.109999999999999 111.024 175.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 124.591 1.156 . . . . 72.409999999999997 112.095 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HD3' ' HB2' ' A' ' 80' ' ' GLU . 11.8 tppt? . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 108.705 -0.85 . . . . 71.349999999999994 108.705 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.66 145.91 34.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 107.163 -1.421 . . . . 74.099999999999994 107.163 159.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.3 mm -114.42 138.26 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 108.334 -0.987 . . . . 61.140000000000001 108.334 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' A' ' 69' ' ' ILE . 40.2 t -116.67 111.89 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.275 -1.009 . . . . 74.530000000000001 108.275 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt -109.29 126.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 123.174 0.59 . . . . 54.409999999999997 109.947 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -94.7 91.91 3.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 N-CA-C 106.359 -1.719 . . . . 74.319999999999993 106.359 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -81.06 102.06 9.98 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.914 -1.143 . . . . 54.32 107.914 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -107.61 83.95 1.88 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.239 -0.891 . . . . 74.510000000000005 109.936 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 78.69 -53.08 0.47 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.179 1.392 . . . . 74.120000000000005 112.149 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.08 149.09 43.42 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 71.120000000000005 111.329 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -101.14 -14.45 17.75 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.046 0.758 . . . . 65.329999999999998 113.046 -169.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -24.88 67.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.68 0.392 . . . . 51.340000000000003 111.603 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.89 -31.72 72.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.99 0.516 . . . . 74.0 110.103 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.98 -32.19 30.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.709 1.203 . . . . 74.109999999999999 110.161 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.26 -49.24 72.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.654 1.182 . . . . 73.030000000000001 109.851 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.57 -36.39 78.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.999 -1.0 . . . . 54.119999999999997 110.535 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -54.37 -36.94 64.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.389 1.076 . . . . 70.230000000000004 112.811 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -73.97 -32.48 63.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.384 0.674 . . . . 73.420000000000002 110.76 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -73.96 -31.53 63.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.421 0.688 . . . . 54.32 110.816 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' ALA . 93.9 mt -66.24 -60.13 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.815 0.846 . . . . 73.040000000000006 110.519 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HB3' HG23 ' A' ' 30' ' ' VAL . 11.0 ptpt -63.41 -17.78 63.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.421 0.897 . . . . 71.209999999999994 113.421 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.17 -20.6 42.27 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.178 0.991 . . . . 72.340000000000003 112.802 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.97 -2.71 28.39 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.44 0.696 . . . . 63.039999999999999 112.082 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.25 35.19 5.09 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 123.023 0.344 . . . . 64.319999999999993 112.836 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.45 164.52 20.96 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.58 0.752 . . . . 73.540000000000006 109.883 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -90.58 146.4 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.742 0.417 . . . . 72.219999999999999 110.524 173.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 24' ' ' LYS . 74.0 t -122.07 128.1 75.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 123.69 0.796 . . . . 65.219999999999999 108.999 170.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.03 113.6 27.25 Favored 'General case' 0 C--N 1.337 0.054 0 N-CA-C 107.623 -1.251 . . . . 71.349999999999994 107.623 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.7 mm -89.33 117.6 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.793 -0.817 . . . . 71.209999999999994 108.793 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 59' ' ' VAL . 25.8 mt -87.83 105.58 17.51 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.221 -1.029 . . . . 73.230000000000004 108.221 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 121.11 32.86 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.059 -1.089 . . . . 71.439999999999998 108.059 -177.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.4 ptmm? -126.9 118.71 25.1 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.733 -1.21 . . . . 75.349999999999994 107.733 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 14.0 t70 -134.23 167.63 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.052 -0.976 . . . . 71.319999999999993 108.793 -174.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -70.35 -35.49 73.6 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.865 0.466 . . . . 51.039999999999999 110.773 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -117.99 179.2 4.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.466 0.706 . . . . 72.310000000000002 112.759 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.56 -58.97 2.04 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.96 0.904 . . . . 54.409999999999997 111.344 -174.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 22.7 ttmm -73.5 -30.13 62.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.866 0.467 . . . . 53.310000000000002 111.675 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.37 -44.42 87.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.982 -0.747 . . . . 74.409999999999997 108.982 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 5.4 tt -61.71 -44.58 96.65 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.495 1.118 . . . . 75.120000000000005 112.896 168.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 7.3 tt0 -50.46 -53.06 32.56 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.344 1.458 . . . . 60.25 112.327 -174.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.63 -34.66 67.48 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 115.777 -0.647 . . . . 75.430000000000007 110.348 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -46.41 85.2 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.011 0.924 . . . . 74.530000000000001 111.328 174.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.57 HG23 ' HB ' ' A' ' 56' ' ' VAL . 13.8 mt -50.5 -48.81 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.154 0.908 . . . . 73.299999999999997 110.203 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -74.57 -31.08 61.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.295 -0.866 . . . . 73.120000000000005 112.177 -173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.62 -36.24 82.12 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.174 0.511 . . . . 71.430000000000007 110.792 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HB2' HG21 ' A' ' 56' ' ' VAL . 95.2 mt -77.42 -43.03 33.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.356 -0.838 . . . . 32.310000000000002 111.39 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -66.62 -24.72 66.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 111.77 0.285 . . . . 73.25 111.77 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -59.95 -30.88 69.38 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.756 0.823 . . . . 60.520000000000003 111.712 169.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.458 HE21 ' HA ' ' A' ' 49' ' ' LEU . 43.1 mt-30 -86.08 5.34 34.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.824 0.85 . . . . 72.25 111.275 176.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.13 2.73 56.89 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 119.521 -0.599 . . . . 75.109999999999999 114.105 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -77.32 167.02 22.41 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 117.629 0.714 . . . . 64.209999999999994 111.825 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -117.44 110.52 18.11 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.776 -1.194 . . . . 73.349999999999994 107.776 165.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 49' ' ' LEU . 24.3 t -111.62 127.27 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.351 0.66 . . . . 63.009999999999998 109.545 -173.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 25.8 mmm180 -120.22 144.87 47.5 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.003 0.921 . . . . 74.400000000000006 109.825 -173.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HE3' HD13 ' A' ' 42' ' ' LEU . 2.7 tmtp? -83.36 123.12 29.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.379 -0.971 . . . . 64.319999999999993 108.379 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 33' ' ' LEU . 18.7 m -122.54 157.23 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.204 0.602 . . . . 42.420000000000002 109.916 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -79.03 -73.51 0.33 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.703 -0.681 . . . . 64.200000000000003 109.681 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -154.81 -163.89 1.68 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 108.397 -0.964 . . . . 65.439999999999998 108.397 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.892 0.877 . . . . 75.409999999999997 112.186 -169.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -55.77 -51.87 65.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.891 0.877 . . . . 74.140000000000001 110.627 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.77 -31.1 63.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.96 0.904 . . . . 43.32 110.608 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 85.4 mt -65.0 -55.4 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.223 1.009 . . . . 53.039999999999999 111.284 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.91 -35.83 81.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.624 0.37 . . . . 63.210000000000001 111.075 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -71.43 -32.58 68.54 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 73.019999999999996 110.821 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.437 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.7 t90 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.399 0.679 . . . . 75.319999999999993 109.665 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.697 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -75.23 -33.4 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 122.994 0.517 . . . . 73.120000000000005 109.936 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 21.3 t70 -62.67 -37.55 86.86 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.211 -0.904 . . . . 73.230000000000004 111.354 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.76 -37.69 67.59 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.697 -0.668 . . . . 53.340000000000003 111.073 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -63.51 -39.47 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-N 118.411 0.551 . . . . 51.210000000000001 111.275 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 53.6 mtmt -62.82 -37.06 85.24 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.77 -0.65 . . . . 74.400000000000006 110.676 176.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -76.73 -44.85 31.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 71.329999999999998 110.975 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.66 -47.02 79.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.97 0.908 . . . . 65.310000000000002 110.137 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -125.03 90.13 51.52 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 114.866 -1.061 . . . . 74.340000000000003 110.09 -170.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.56 -7.85 17.94 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 73.109999999999999 112.978 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -82.11 -8.9 59.67 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.786 0.661 . . . . 72.310000000000002 112.786 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.64 160.36 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.063 0.545 . . . . 60.130000000000003 111.779 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 60.9 mm-40 -93.18 139.25 30.8 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.096 0.958 . . . . 74.129999999999995 108.516 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -120.7 119.34 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.57 -0.53 . . . . 72.430000000000007 109.57 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.9 tpp180 -111.92 133.95 53.79 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.646 0.779 . . . . 72.329999999999998 109.904 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.697 ' HG2' HG12 ' A' ' 69' ' ' ILE . 24.0 mtmm -94.0 113.24 25.19 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.717 -0.846 . . . . 72.549999999999997 108.717 170.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 90' ' ' ALA . 87.8 t -110.7 91.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.984 -0.747 . . . . 63.210000000000001 108.984 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.415 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 44.9 p -87.63 -21.85 25.07 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.787 0.327 . . . . 74.120000000000005 110.751 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.4 147.87 38.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.842 0.857 . . . . 71.140000000000001 110.831 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -51.91 -42.02 62.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.289 1.036 . . . . 72.430000000000007 110.818 167.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.38 -40.22 74.25 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.349 1.06 . . . . 62.299999999999997 112.081 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.12 -35.25 76.2 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.094 -0.503 . . . . 74.150000000000006 111.122 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.65 -31.25 71.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.181 0.592 . . . . 73.420000000000002 111.497 174.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -74.91 -33.77 62.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.698 0.799 . . . . 74.040000000000006 110.743 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -75.06 -41.63 58.59 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.785 -0.643 . . . . 71.519999999999996 110.853 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.54 HG21 ' HG2' ' A' ' 82' ' ' ARG . 19.9 pt -69.64 -22.54 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.343 0.868 . . . . 55.43 113.343 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -51.96 -27.97 15.05 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.506 0.323 . . . . 71.329999999999998 111.016 166.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -84.95 -53.13 5.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.927 0.891 . . . . 64.420000000000002 111.065 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.503 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.2 t70 -44.9 -43.98 9.31 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 125.107 1.363 . . . . 65.040000000000006 113.9 -175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.13 -39.69 87.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.086 0.954 . . . . 62.020000000000003 111.497 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp . . . . . 0 N--CA 1.481 1.113 0 CA-C-N 115.136 -0.938 . . . . 71.230000000000004 110.165 -176.253 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HD3' ' HG3' ' A' ' 80' ' ' GLU . 18.4 ttpt . . . . . 0 N--CA 1.47 0.527 0 N-CA-C 108.555 -0.906 . . . . 55.549999999999997 108.555 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 79' ' ' LEU . 24.2 pt -115.39 152.27 17.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.843 0 N-CA-C 108.945 -0.761 . . . . 64.209999999999994 108.945 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm -114.05 143.37 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.613 -0.721 . . . . 74.239999999999995 109.564 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 69' ' ' ILE . 72.8 t -119.21 115.15 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 107.795 -1.187 . . . . 53.210000000000001 107.795 171.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.611 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 49.2 mt -105.4 124.16 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.657 -0.498 . . . . 74.140000000000001 109.657 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -95.71 98.46 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 105.642 -1.984 . . . . 70.5 105.642 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -114.35 132.28 56.25 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.577 0.704 . . . . 74.420000000000002 111.038 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.535 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 79.3 p -132.73 123.7 26.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.208 -1.36 . . . . 71.329999999999998 109.801 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.78 -69.79 0.16 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.984 1.313 . . . . 73.140000000000001 113.462 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.02 138.66 46.1 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.73 1.212 . . . . 51.329999999999998 112.247 -171.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -74.57 -26.81 60.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.1 0.96 . . . . 74.099999999999994 113.198 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 m -56.12 -40.36 73.64 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.304 0.502 . . . . 63.210000000000001 112.354 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.2 -32.53 66.86 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.266 0.555 . . . . 72.209999999999994 110.144 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 49' ' ' LEU . 48.1 mt-10 -67.56 -49.43 63.24 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.824 1.25 . . . . 72.430000000000007 111.061 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.14 -25.77 52.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.243 0.617 . . . . 73.310000000000002 112.206 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.6 -33.45 72.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.924 0.489 . . . . 75.109999999999999 110.495 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.57 -32.37 50.57 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.002 0.921 . . . . 74.439999999999998 112.299 176.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -69.96 -30.83 68.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.57 0.748 . . . . 64.450000000000003 111.224 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -69.97 -45.27 67.72 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 122.953 0.501 . . . . 50.100000000000001 110.137 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.59 -52.08 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.251 0.62 . . . . 72.329999999999998 111.518 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 14.3 ptmm? -56.83 -21.68 30.83 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.7 0.8 . . . . 62.25 112.607 -172.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.17 -29.7 61.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.567 1.147 . . . . 74.349999999999994 111.743 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.84 -18.99 65.0 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.585 0.754 . . . . 54.520000000000003 112.101 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.83 41.8 1.78 Allowed Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.618 0.628 . . . . 74.400000000000006 112.651 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -126.87 151.75 47.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.587 0.355 . . . . 70.319999999999993 110.933 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.27 122.42 21.95 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 124.255 0.972 . . . . 71.329999999999998 108.546 167.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.06 129.1 53.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.391 -0.966 . . . . 73.400000000000006 108.391 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG22 ' A' ' 7' ' ' VAL . 57.8 m-85 -104.2 132.9 49.97 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.383 -1.34 . . . . 73.329999999999998 107.383 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 56' ' ' VAL . 28.3 mm -114.69 120.47 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.421 -0.955 . . . . 72.409999999999997 108.421 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 59' ' ' VAL . 34.3 mt -95.71 101.98 13.73 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.013 -1.106 . . . . 63.450000000000003 108.013 170.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.88 140.97 28.96 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 107.897 -1.149 . . . . 72.010000000000005 107.897 -175.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 11' ' ' SER . 17.4 ptpt -141.09 120.98 13.55 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.77 -0.826 . . . . 75.5 108.77 173.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -129.4 155.39 45.76 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.656 -0.868 . . . . 43.149999999999999 108.656 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -54.27 -37.19 64.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 60.039999999999999 110.685 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.73 130.61 56.43 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 108.759 -0.83 . . . . 71.120000000000005 108.759 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG3' HD23 ' A' ' 42' ' ' LEU . 21.4 tt0 -61.7 -13.71 25.3 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.126 1.158 . . . . 73.340000000000003 114.126 -177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.04 -59.87 2.52 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.993 0.36 . . . . 63.329999999999998 111.193 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -68.75 -24.74 64.49 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.276 0.63 . . . . 72.319999999999993 110.535 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.525 HD23 ' HG3' ' A' ' 39' ' ' GLU . 30.5 tp -54.79 -58.34 7.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.665 -1.152 . . . . 73.0 110.782 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 37.5 tt0 -69.9 -28.26 65.47 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.466 0.479 . . . . 75.400000000000006 111.279 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -60.83 -49.76 76.17 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.393 0.615 . . . . 70.040000000000006 109.512 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.89 92.9 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.088 -1.415 . . . . 75.0 110.45 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' HA ' HG11 ' A' ' 56' ' ' VAL . 84.0 mt -57.83 -50.76 76.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.661 -1.154 . . . . 74.219999999999999 110.925 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.4 mm-40 -66.89 -37.53 84.56 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.13 0.269 . . . . 65.0 111.307 -176.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -65.24 -34.61 78.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.346 0.658 . . . . 74.239999999999995 112.183 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.1 mt -81.16 -32.86 33.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.822 0.449 . . . . 62.140000000000001 111.137 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -69.44 -28.08 65.81 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 122.159 -0.338 . . . . 74.310000000000002 110.411 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.4 t -63.62 -31.22 72.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.865 0.866 . . . . 74.310000000000002 111.035 170.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.6 mt-30 -88.9 14.44 10.41 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.64 0.776 . . . . 75.530000000000001 111.488 175.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.55 51.0 13.12 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 123.404 0.44 . . . . 40.229999999999997 113.26 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 51.1 m-85 -127.35 142.34 51.47 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.818 0.847 . . . . 74.310000000000002 109.109 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.59 83.17 8.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.993 -0.743 . . . . 65.420000000000002 108.993 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.0 t -92.49 136.77 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 114.818 -1.083 . . . . 42.210000000000001 110.039 -174.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 19.1 mmt180 -138.57 152.34 48.1 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.371 1.068 . . . . 74.439999999999998 110.804 -172.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' HD21 ' A' ' 42' ' ' LEU . 40.1 ttmt -94.83 128.19 41.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.14 -1.391 . . . . 71.510000000000005 109.122 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 33' ' ' LEU . 6.9 m -116.79 150.99 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 121.447 0.642 . . . . 75.140000000000001 110.795 178.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -77.27 -46.74 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.667 -1.151 . . . . 72.25 110.648 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -172.02 -174.96 1.38 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.748 0.819 . . . . 73.200000000000003 109.519 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.51 -35.58 80.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.025 0.75 . . . . 60.109999999999999 113.025 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -58.82 -44.31 90.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.698 0.624 . . . . 74.129999999999995 109.405 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.06 -33.58 75.83 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.207 -0.906 . . . . 72.409999999999997 111.292 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.5 -50.55 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.888 0.875 . . . . 64.230000000000004 111.324 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.13 -37.42 80.02 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.818 0.281 . . . . 75.349999999999994 111.607 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.25 -31.19 68.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.477 0.711 . . . . 71.510000000000005 111.008 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.493 ' O ' HG12 ' A' ' 72' ' ' ILE . 25.9 t90 -68.77 -49.22 60.46 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 75.420000000000002 110.274 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.664 HD11 HG11 ' A' ' 7' ' ' VAL . 2.1 mp -72.63 -31.4 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.912 0.485 . . . . 61.420000000000002 110.477 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.94 -47.12 52.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.485 1.114 . . . . 63.100000000000001 111.59 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -78.18 -30.79 49.24 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.415 -0.811 . . . . 72.109999999999999 111.728 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.9 mm -62.18 -42.52 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.177 0.591 . . . . 71.120000000000005 110.728 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -67.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.131 -0.941 . . . . 72.140000000000001 111.104 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -78.19 -43.22 29.17 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.77 0.828 . . . . 72.019999999999996 110.577 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.27 -40.85 94.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.105 0.962 . . . . 62.140000000000001 110.434 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.424 ' HD3' HD21 ' A' ' 79' ' ' LEU . 52.1 mtt180 -123.97 82.78 55.68 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.87 0.868 . . . . 54.100000000000001 109.634 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.57 -14.71 11.4 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.936 2.424 . . . . 74.530000000000001 113.714 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.86 -5.6 56.68 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.684 0.394 . . . . 75.420000000000002 111.934 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD13 HG12 ' A' ' 5' ' ' ILE . 3.5 pp -123.53 150.81 43.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.808 -0.812 . . . . 53.439999999999998 108.808 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' HD3' ' A' ' 4' ' ' LYS . 9.4 pt-20 -99.25 155.88 17.27 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.986 0.515 . . . . 75.140000000000001 111.363 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.99 136.82 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 71.439999999999998 109.779 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -127.43 119.14 25.47 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.328 0.651 . . . . 71.230000000000004 109.945 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.5 mtmt -75.37 135.98 40.81 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.127 0.571 . . . . 74.129999999999995 110.625 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 57.1 t -120.92 95.98 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 124.165 0.986 . . . . 42.420000000000002 110.989 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.5 p -81.47 -30.95 33.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.136 0.574 . . . . 73.209999999999994 111.425 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 18.6 m-20 -116.15 157.41 24.84 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.382 0.673 . . . . 65.230000000000004 111.703 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.56 -45.75 57.26 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.289 1.036 . . . . 71.209999999999994 111.088 167.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.52 -20.83 61.99 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.512 -0.767 . . . . 74.319999999999993 112.129 -176.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.9 mm100 -70.72 -40.92 72.5 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.315 -0.624 . . . . 70.109999999999999 109.315 169.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -68.84 -27.11 65.54 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.413 0.685 . . . . 72.319999999999993 112.14 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -78.47 -33.79 48.08 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.618 0.767 . . . . 73.420000000000002 110.303 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.29 -47.39 57.13 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.467 0.307 . . . . 74.299999999999997 110.243 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 27.4 pt -59.72 -31.85 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.025 0.75 . . . . 74.5 113.025 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.89 -43.32 49.34 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.016 0.526 . . . . 72.420000000000002 110.632 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.18 -32.41 26.61 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.96 1.304 . . . . 44.439999999999998 110.49 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 38.8 t70 -73.56 -27.88 61.56 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.654 0.782 . . . . 74.430000000000007 111.596 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.2 mp -72.75 -18.02 61.54 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 120.914 0.388 . . . . 75.340000000000003 110.372 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt . . . . . 0 N--CA 1.48 1.064 0 C-N-CA 123.733 0.813 . . . . 72.150000000000006 110.388 178.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? . . . . . 0 C--O 1.236 0.385 0 N-CA-C 108.761 -0.829 . . . . 64.25 108.761 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 81' ' ' VAL . 43.7 pt -128.2 157.45 40.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 N-CA-C 108.377 -0.972 . . . . 71.5 108.377 166.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -123.59 138.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.967 -0.753 . . . . 71.349999999999994 108.967 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 31' ' ' TYR . 72.6 t -117.27 113.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 107.186 -1.413 . . . . 70.010000000000005 107.186 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.483 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.3 mt -106.79 130.43 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 109.189 -0.671 . . . . 75.400000000000006 109.189 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -93.29 86.36 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 107.051 -1.463 . . . . 75.319999999999993 107.051 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -88.35 105.88 17.87 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.788 -0.642 . . . . 73.140000000000001 109.448 -173.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -133.42 121.38 22.18 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.325 -0.852 . . . . 74.129999999999995 109.224 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.98 -68.2 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.78 1.232 . . . . 71.239999999999995 112.394 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.73 154.54 38.35 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.312 1.045 . . . . 51.109999999999999 111.946 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -106.0 -16.63 14.57 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.262 1.025 . . . . 64.200000000000003 112.708 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -54.07 -35.76 62.41 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.25 0.477 . . . . 73.439999999999998 111.704 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.19 -39.92 96.02 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.7 0.8 . . . . 75.239999999999995 111.171 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.42 -43.54 85.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.033 1.333 . . . . 73.310000000000002 111.178 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.41 -42.46 78.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.05 -0.977 . . . . 63.109999999999999 111.528 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.91 -40.27 94.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.353 0.661 . . . . 73.450000000000003 110.403 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.03 -32.41 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.322 1.049 . . . . 44.229999999999997 112.619 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 tpt85 -64.79 -28.53 69.63 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 115.155 -0.929 . . . . 75.400000000000006 111.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 9.9 mptt -84.65 -32.8 23.45 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.635 0.774 . . . . 63.119999999999997 110.158 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 1.8 mp -64.78 -42.83 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.008 0.523 . . . . 75.319999999999993 110.432 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -68.04 -25.46 65.38 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.891 0.377 . . . . 73.540000000000006 110.763 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.78 -9.99 59.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.947 . . . . 64.040000000000006 111.333 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 52.8 mm-40 -74.45 -15.32 60.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.0 0.52 . . . . 75.450000000000003 111.302 172.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.38 37.79 4.45 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.075 -0.81 . . . . 33.329999999999998 111.075 -173.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.693 HD11 HD21 ' A' ' 97' ' ' LEU . 10.4 mt -114.58 147.3 39.69 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.375 -0.602 . . . . 72.140000000000001 109.375 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -87.86 111.94 21.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.129 -1.063 . . . . 75.349999999999994 108.129 168.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.09 131.66 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.818 -0.438 . . . . 74.150000000000006 109.818 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.658 ' HB2' HG22 ' A' ' 7' ' ' VAL . 40.6 m-85 -108.41 144.1 36.44 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 106.972 -1.492 . . . . 74.409999999999997 106.972 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG21 HD13 ' A' ' 49' ' ' LEU . 25.9 mm -123.93 125.46 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.448 -0.945 . . . . 65.329999999999998 108.448 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.563 HD12 HG23 ' A' ' 65' ' ' ILE . 38.9 mt -101.89 120.05 39.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.582 0.706 . . . . 72.150000000000006 111.106 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.51 HD11 ' HG2' ' A' ' 45' ' ' LYS . 1.4 mm? -105.15 122.94 46.95 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.484 -1.234 . . . . 63.140000000000001 111.163 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HE2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.58 120.26 8.6 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.987 -1.116 . . . . 74.129999999999995 107.987 157.427 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -132.61 171.79 13.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.88 1.272 . . . . 61.240000000000002 109.558 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -46.18 -47.89 17.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.429 1.491 . . . . 74.230000000000004 112.224 175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.21 119.3 28.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.381 -0.827 . . . . 72.109999999999999 110.104 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.7 -15.03 62.2 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.525 0.935 . . . . 75.019999999999996 113.525 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.58 -49.63 15.87 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.98 0.419 . . . . 74.010000000000005 110.083 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -63.52 -29.92 71.12 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.537 -0.756 . . . . 64.510000000000005 110.265 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HG ' HD12 ' A' ' 34' ' ' LEU . 5.4 tt -61.39 -44.85 96.43 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.221 -1.354 . . . . 75.409999999999997 110.707 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.2 -35.8 81.52 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.418 0.449 . . . . 74.129999999999995 110.603 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.66 -41.67 78.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.77 -0.65 . . . . 75.239999999999995 109.964 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -59.76 -38.81 82.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.086 0.954 . . . . 74.140000000000001 110.97 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.507 HG23 ' HB ' ' A' ' 56' ' ' VAL . 54.1 mt -55.12 -51.26 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 124.089 0.868 . . . . 51.149999999999999 109.101 173.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -64.17 -36.43 84.03 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.944 0.498 . . . . 71.420000000000002 111.856 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.2 0.6 . . . . 73.129999999999995 110.907 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.616 ' HB2' HG21 ' A' ' 56' ' ' VAL . 90.0 mt -73.41 -36.48 66.01 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.206 -0.906 . . . . 73.409999999999997 111.428 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 37.1 mtpt -70.47 -28.26 64.86 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.208 -0.307 . . . . 63.140000000000001 110.798 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 t -65.03 -32.5 74.26 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.63 -0.713 . . . . 74.510000000000005 111.583 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -77.6 -20.56 53.77 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.913 0.485 . . . . 54.020000000000003 111.14 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.93 37.03 1.59 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 123.418 0.449 . . . . 35.009999999999998 113.272 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.09 149.46 32.09 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.07 0.548 . . . . 65.239999999999995 110.402 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.58 87.45 5.94 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.48 -0.933 . . . . 62.119999999999997 108.48 173.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 49' ' ' LEU . 20.2 t -93.89 133.05 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 114.94 -1.027 . . . . 71.010000000000005 110.071 -172.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -134.58 147.08 50.17 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.963 0.905 . . . . 73.349999999999994 110.21 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -88.99 130.39 35.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.299 1.039 . . . . 74.219999999999999 109.746 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.43 169.12 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 124.538 1.135 . . . . 53.25 109.585 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -94.23 -61.71 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.514 0.326 . . . . 75.239999999999995 111.623 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -137.28 -175.34 4.02 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.521 0.729 . . . . 63.420000000000002 110.494 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 65' ' ' ILE . 6.5 p-10 -66.44 -37.53 85.38 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.89 0.876 . . . . 72.019999999999996 111.817 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.27 -36.78 76.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.974 0.416 . . . . 75.310000000000002 111.455 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.08 -38.98 79.32 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.906 -0.588 . . . . 75.409999999999997 110.27 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.563 HG23 HD12 ' A' ' 33' ' ' LEU . 96.2 mt -60.57 -49.91 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 71.239999999999995 110.568 174.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.94 -50.11 71.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.443 1.097 . . . . 72.140000000000001 111.485 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.86 -21.32 60.14 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.221 -0.9 . . . . 74.219999999999999 111.803 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -68.76 -36.45 78.36 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.734 0.413 . . . . 71.140000000000001 110.333 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.65 -36.6 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 122.987 0.515 . . . . 71.420000000000002 109.756 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.63 -44.68 93.19 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.419 -0.809 . . . . 63.43 111.562 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 20.8 ptmt -71.11 -25.54 62.64 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.586 -0.245 . . . . 73.049999999999997 110.984 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.49 -35.61 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.002 0.521 . . . . 65.420000000000002 110.279 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -65.48 -24.19 67.09 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.859 0.464 . . . . 74.120000000000005 111.205 174.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -82.87 -41.38 19.05 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.843 0.457 . . . . 61.32 110.687 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.2 mm-40 -66.05 -50.03 65.61 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.308 0.575 . . . . 73.349999999999994 111.164 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 87.86 36.28 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 114.858 -1.065 . . . . 73.349999999999994 108.439 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.25 -37.02 33.36 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.436 . . . . 74.340000000000003 113.696 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.53 -9.85 57.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.708 1.003 . . . . 64.420000000000002 113.708 -168.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.59 149.17 30.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.507 0.323 . . . . 51.0 110.289 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -102.06 137.76 39.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.699 0.4 . . . . 64.510000000000005 110.834 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 HD11 ' A' ' 5' ' ' ILE . 2.8 t -113.06 126.31 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.436 0.694 . . . . 74.230000000000004 109.669 -169.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -110.04 141.45 42.85 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.507 0.723 . . . . 74.209999999999994 110.497 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -98.68 114.72 27.34 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.209 -1.034 . . . . 74.450000000000003 108.209 169.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 89' ' ' GLN . 78.7 t -115.35 90.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.465 -0.939 . . . . 60.109999999999999 108.465 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.689 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 81.4 p -82.24 -21.49 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.558 -0.746 . . . . 73.129999999999995 111.943 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.06 160.23 39.56 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.579 0.752 . . . . 64.25 111.133 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -35.02 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 113.868 -1.515 . . . . 73.329999999999998 113.12 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.17 -34.81 79.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.41 0.684 . . . . 71.049999999999997 111.485 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 48.7 mt-30 -69.1 -36.75 77.89 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.431 0.457 . . . . 72.409999999999997 110.598 173.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.77 72.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.085 0.554 . . . . 61.109999999999999 111.665 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.96 -39.97 65.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.263 0.625 . . . . 73.010000000000005 110.09 175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -64.11 -47.32 80.47 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.588 -0.733 . . . . 73.129999999999995 110.913 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 pt -64.24 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.597 0.591 . . . . 63.399999999999999 112.597 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.47 -37.0 62.25 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.714 0.406 . . . . 55.450000000000003 111.353 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -84.89 -50.72 7.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.328 0.651 . . . . 72.409999999999997 110.978 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t70 -42.03 -44.67 3.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.674 1.59 . . . . 53.229999999999997 113.78 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 28' ' ' LEU . 11.1 mp -68.91 -23.61 64.2 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.62 0.768 . . . . 71.019999999999996 111.927 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.477 0.914 0 C-N-CA 123.635 0.774 . . . . 74.530000000000001 109.594 177.768 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HE3' HD13 ' A' ' 28' ' ' LEU . 38.4 ttpt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 108.917 -0.771 . . . . 63.43 108.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 29' ' ' GLU . 30.5 pt -125.87 147.86 30.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.371 0.605 . . . . 72.140000000000001 109.91 174.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.592 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.5 mm -117.72 120.42 64.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.633 -0.877 . . . . 65.340000000000003 108.633 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 31' ' ' TYR . 40.2 t -105.16 114.93 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.454 -0.943 . . . . 75.530000000000001 108.454 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 23.9 mt -104.24 130.83 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.485 -0.561 . . . . 64.109999999999999 109.485 -174.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.66 86.05 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 105.553 -2.017 . . . . 72.040000000000006 105.553 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.1 t -77.68 104.73 8.39 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.452 -0.573 . . . . 75.430000000000007 109.452 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 p -80.86 -153.9 0.1 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.485 1.114 . . . . 64.340000000000003 111.266 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.79 -29.65 68.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.43 1.092 . . . . 75.129999999999995 112.671 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.98 150.41 25.66 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.373 0.606 . . . . 64.439999999999998 112.059 -171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -90.21 -14.18 33.99 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.439 -1.255 . . . . 74.120000000000005 111.234 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.3 m -53.81 -35.41 61.38 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 123.378 0.671 . . . . 71.140000000000001 111.732 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.6 -30.21 64.17 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.379 0.272 . . . . 64.219999999999999 110.366 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.55 -46.61 58.99 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.303 1.041 . . . . 65.439999999999998 111.016 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.96 -39.92 79.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.617 0.367 . . . . 71.25 111.169 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 23' ' ' ILE . 79.1 mt -68.02 -36.02 79.27 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.418 -0.355 . . . . 72.219999999999999 110.492 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -52.0 -45.44 64.54 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 70.400000000000006 112.914 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -69.57 -33.58 72.93 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.156 -0.929 . . . . 72.450000000000003 110.984 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 22' ' ' LYS . 14.0 tptp -80.71 -23.28 39.63 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.609 -0.723 . . . . 73.540000000000006 110.959 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.582 HD13 HD11 ' A' ' 93' ' ' ILE . 75.4 mt -65.98 -56.68 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 122.848 0.459 . . . . 63.340000000000003 110.245 172.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.9 ptpt -63.19 -20.32 65.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.717 0.636 . . . . 64.430000000000007 112.717 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.37 -25.79 60.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.435 1.094 . . . . 75.450000000000003 112.059 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.43 -6.76 42.75 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.938 0.895 . . . . 74.299999999999997 112.725 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.34 33.59 4.49 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 123.084 0.373 . . . . 41.020000000000003 113.271 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD13 ' HE3' ' A' ' 4' ' ' LYS . 1.6 pt? -128.91 176.52 7.8 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.123 0.969 . . . . 63.420000000000002 109.154 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 5' ' ' ILE . 16.9 tp10 -98.33 150.8 21.19 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.678 0.391 . . . . 75.049999999999997 110.487 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 6' ' ' ILE . 54.5 t -126.24 127.14 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.849 0.86 . . . . 74.340000000000003 109.672 174.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' VAL . 1.4 m-85 -102.28 151.88 21.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.052 -1.462 . . . . 74.120000000000005 107.052 172.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 56' ' ' VAL . 26.8 mm -125.81 127.73 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.929 -0.767 . . . . 71.349999999999994 108.929 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 HG23 ' A' ' 65' ' ' ILE . 36.8 mt -98.76 108.16 20.78 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.147 -0.686 . . . . 63.229999999999997 109.147 166.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -88.14 127.79 35.43 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.446 -1.252 . . . . 63.149999999999999 109.485 -175.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -126.16 120.33 29.82 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.793 -0.818 . . . . 61.530000000000001 108.793 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.506 ' H ' HD12 ' A' ' 42' ' ' LEU . 12.4 t70 -133.14 147.52 52.09 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.658 -1.608 . . . . 54.020000000000003 106.658 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.22 -16.0 63.8 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.666 0.604 . . . . 71.319999999999993 111.752 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -119.58 108.8 14.93 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 107.41 -1.33 . . . . 61.310000000000002 107.41 171.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -12.83 19.56 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.814 1.042 . . . . 72.340000000000003 113.814 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -78.94 -49.42 12.82 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.361 -0.607 . . . . 63.009999999999998 109.361 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.95 -32.27 73.67 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.273 -0.876 . . . . 74.109999999999999 109.797 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' H ' ' A' ' 36' ' ' ASP . 6.6 tt -54.71 -52.45 62.42 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.98 1.312 . . . . 73.150000000000006 109.44 170.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.37 -25.68 63.37 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.242 -0.89 . . . . 62.5 112.279 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.3 mt-10 -66.2 -48.88 69.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.482 -0.562 . . . . 75.109999999999999 109.482 170.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.98 -32.5 72.96 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.295 0.997 . . . . 74.310000000000002 111.384 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 56' ' ' VAL . 56.2 mt -55.92 -53.71 35.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 123.461 0.704 . . . . 74.299999999999997 109.605 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.27 -34.57 78.43 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.645 -0.707 . . . . 75.439999999999998 111.98 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 11.4 mmpt? -64.67 -46.0 84.31 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.389 0.614 . . . . 74.299999999999997 110.635 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 56' ' ' VAL . 98.9 mt -72.59 -38.63 67.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.896 -1.047 . . . . 65.230000000000004 111.249 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.0 mtpt -66.81 -27.55 67.66 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.003 -0.435 . . . . 75.310000000000002 111.768 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 m -58.62 -34.76 71.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.838 0.455 . . . . 75.010000000000005 111.974 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.07 -12.69 60.01 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.277 0.631 . . . . 73.420000000000002 111.381 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.79 55.7 1.06 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 112.081 -0.408 . . . . 72.409999999999997 112.081 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.04 161.42 24.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.777 0.831 . . . . 73.120000000000005 109.479 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -102.31 96.12 6.74 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.37 -0.974 . . . . 72.329999999999998 108.37 167.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 49' ' ' LEU . 15.3 t -102.91 139.48 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.532 0.733 . . . . 71.010000000000005 109.441 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -135.36 146.5 48.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.778 0.831 . . . . 71.5 110.046 -173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -91.58 131.53 36.93 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.013 0.925 . . . . 72.519999999999996 109.427 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.68 152.31 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.151 0.981 . . . . 75.349999999999994 109.034 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -24.69 38.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.574 0.35 . . . . 73.349999999999994 111.481 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -167.49 165.8 14.56 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.022 0.529 . . . . 75.340000000000003 111.321 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 24.4 t70 -66.44 -35.45 80.33 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.53 1.132 . . . . 74.200000000000003 111.91 177.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.69 -39.15 73.31 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.861 -0.609 . . . . 64.230000000000004 110.903 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.47 -35.65 75.81 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.342 -0.845 . . . . 75.299999999999997 110.403 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 33' ' ' LEU . 32.7 mt -54.13 -50.14 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 124.266 0.979 . . . . 71.409999999999997 111.733 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.19 -39.34 92.39 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.246 0.218 . . . . 71.109999999999999 111.277 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -33.67 74.29 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 123.561 0.538 . . . . 61.310000000000002 110.605 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -64.44 -40.17 95.24 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.79 1.236 . . . . 72.109999999999999 109.882 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.599 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -40.13 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.516 0.727 . . . . 71.209999999999994 110.072 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 18.3 t70 -57.62 -43.87 85.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.107 0.963 . . . . 75.230000000000004 111.223 -173.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 8.2 ptpp? -68.56 -42.38 78.43 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.233 -0.894 . . . . 63.240000000000002 111.459 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.67 -33.81 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 123.122 0.569 . . . . 72.25 111.359 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 58.5 mtmt -60.52 -33.54 72.79 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.536 0.334 . . . . 71.329999999999998 110.881 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.85 -45.92 16.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.112 0.965 . . . . 51.409999999999997 110.364 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 37.3 mm-40 -56.71 -55.37 35.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.248 1.019 . . . . 62.420000000000002 110.062 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -121.53 81.18 39.31 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 114.588 -1.187 . . . . 64.120000000000005 107.895 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.53 -5.85 17.47 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.682 2.255 . . . . 71.099999999999994 112.194 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.81 -20.42 63.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.235 1.014 . . . . 63.530000000000001 111.936 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -126.3 150.71 48.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.622 0.769 . . . . 60.439999999999998 111.364 -174.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.477 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 25.5 mm-40 -84.55 149.78 25.67 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.822 -0.807 . . . . 62.520000000000003 108.822 172.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.26 106.32 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 108.046 -1.094 . . . . 33.100000000000001 108.046 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -103.8 134.56 46.89 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.364 0.666 . . . . 75.230000000000004 109.573 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HG2' HG12 ' A' ' 69' ' ' ILE . 27.2 mtmm -94.09 111.09 22.77 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.41 -0.589 . . . . 75.109999999999999 109.41 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 90' ' ' ALA . 59.0 t -98.29 91.21 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.326 -0.99 . . . . 73.519999999999996 108.326 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.6 p -84.68 -16.95 40.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.842 -1.072 . . . . 73.120000000000005 111.42 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.45 152.22 51.66 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.108 0.963 . . . . 74.239999999999995 109.351 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -30.16 59.99 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.174 0.59 . . . . 73.409999999999997 110.959 169.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.92 -42.42 93.91 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.163 1.385 . . . . 63.149999999999999 111.424 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HB2' HG13 ' A' ' 84' ' ' VAL . 20.5 mm-40 -60.91 -40.94 95.03 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.972 0.795 . . . . 62.340000000000003 110.711 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.27 -39.21 89.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.456 0.702 . . . . 72.310000000000002 111.956 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -70.1 -34.26 72.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.631 0.772 . . . . 64.109999999999999 110.595 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.78 -50.99 37.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.576 -0.738 . . . . 64.019999999999996 110.076 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 23' ' ' ILE . 24.6 pt -64.45 -28.65 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.017 0.376 . . . . 72.409999999999997 112.017 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 33.3 mt -54.62 -54.55 40.06 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.927 0.331 . . . . 74.329999999999998 111.202 171.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.37 -27.26 60.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.282 0.364 . . . . 72.109999999999999 110.991 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 19.4 t70 -64.76 -45.23 87.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.956 0.902 . . . . 74.25 110.757 -176.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.1 mp -67.18 -21.78 65.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.944 -0.571 . . . . 70.519999999999996 110.944 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.3 mmmt . . . . . 0 N--CA 1.483 1.217 0 C-N-CA 122.828 0.451 . . . . 64.140000000000001 110.415 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.2 ttpp . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 108.201 -1.037 . . . . 72.420000000000002 108.201 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG22 ' A' ' 81' ' ' VAL . 40.6 pt -119.27 149.3 21.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-O 121.636 0.732 . . . . 75.420000000000002 110.385 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -119.92 111.61 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 108.246 -1.02 . . . . 62.43 108.246 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 69' ' ' ILE . 71.2 t -87.64 118.53 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.832 0.853 . . . . 52.140000000000001 109.407 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 56.1 mt -111.72 126.86 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.261 0.624 . . . . 73.230000000000004 109.393 -177.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -96.95 93.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 105.823 -1.917 . . . . 65.109999999999999 105.823 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.525 ' HB2' HD22 ' A' ' 34' ' ' LEU . 42.5 m -101.43 121.97 42.9 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.568 -0.901 . . . . 71.120000000000005 108.568 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 p -138.69 113.53 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.904 -1.044 . . . . 74.150000000000006 109.326 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 75.49 -61.22 0.48 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.633 1.573 . . . . 74.150000000000006 112.508 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.26 136.98 52.69 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.98 0.912 . . . . 75.120000000000005 111.355 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -90.49 -21.34 21.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.539 0.736 . . . . 51.130000000000003 112.4 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.5 m -56.94 -36.1 69.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.743 0.417 . . . . 75.540000000000006 111.728 -175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.76 -30.81 71.12 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.011 0.524 . . . . 63.409999999999997 110.902 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.27 -36.34 66.33 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.581 1.152 . . . . 70.010000000000005 110.329 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.17 -36.47 64.07 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.617 -0.72 . . . . 65.099999999999994 110.652 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 94' ' ' LEU . 93.9 mt -74.11 -27.31 60.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.577 0.751 . . . . 62.240000000000002 110.062 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.82 76.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.116 0.967 . . . . 73.430000000000007 111.521 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -62.29 -43.19 99.39 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.011 -0.995 . . . . 71.349999999999994 111.0 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 11.4 mmpt? -63.28 -35.17 79.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.85 0.46 . . . . 72.329999999999998 111.255 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.614 HG22 HD11 ' A' ' 28' ' ' LEU . 80.2 mt -73.88 -32.75 35.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.893 0.877 . . . . 72.549999999999997 111.923 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HE3' ' CE1' ' A' ' 54' ' ' PHE . 16.5 ptpt -75.42 -22.16 57.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.447 -0.783 . . . . 71.319999999999993 110.604 174.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.67 -10.27 59.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.314 0.645 . . . . 71.409999999999997 111.599 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -77.49 -1.93 32.92 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.335 0.654 . . . . 72.439999999999998 110.911 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 29.4 29.69 Favored Glycine 0 C--N 1.353 1.476 0 C-N-CA 122.944 0.307 . . . . 52.340000000000003 112.777 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -128.57 166.94 17.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.807 0.443 . . . . 74.230000000000004 111.547 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.06 130.36 34.52 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.947 0.899 . . . . 60.100000000000001 109.963 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -109.09 131.25 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.758 0.823 . . . . 73.510000000000005 110.06 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HB2' HG22 ' A' ' 7' ' ' VAL . 4.5 m-30 -104.93 140.71 37.76 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 107.409 -1.33 . . . . 55.200000000000003 107.409 174.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.7 mm -123.61 120.91 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 108.605 -0.887 . . . . 71.140000000000001 108.605 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 65' ' ' ILE . 33.1 mt -102.58 106.6 17.31 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.314 -0.995 . . . . 52.140000000000001 108.314 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.2 OUTLIER -97.54 132.99 42.71 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.331 -0.989 . . . . 74.319999999999993 108.331 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -139.07 129.58 25.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.164 0.586 . . . . 75.450000000000003 109.944 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 36.3 t70 -133.28 168.95 17.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.432 1.093 . . . . 53.340000000000003 109.906 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -55.38 -37.1 67.12 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.783 1.233 . . . . 61.409999999999997 112.192 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 40' ' ' LYS . 14.0 t70 -133.58 129.92 37.67 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.99 0.516 . . . . 74.420000000000002 110.492 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -62.72 -28.87 70.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.881 1.808 . . . . 72.329999999999998 115.881 -173.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' OD1' ' A' ' 38' ' ' ASP . 5.4 ptpp? -81.68 -34.8 30.49 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.751 1.159 . . . . 73.439999999999998 109.984 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -65.8 -38.31 88.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.921 0.889 . . . . 74.25 110.373 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 13.5 tp -55.84 -45.03 78.52 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.662 1.585 . . . . 72.450000000000003 111.997 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.39 -18.3 63.04 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.68 0.612 . . . . 73.150000000000006 111.724 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -68.32 -51.81 40.5 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.373 -0.602 . . . . 70.540000000000006 109.373 173.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.92 -42.14 88.96 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.555 -1.202 . . . . 74.409999999999997 110.899 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.473 ' HA ' HG11 ' A' ' 56' ' ' VAL . 67.2 mt -55.63 -50.48 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.297 1.039 . . . . 63.350000000000001 111.277 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -70.07 -28.78 65.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.747 0.419 . . . . 74.5 112.003 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.3 -38.0 84.29 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.815 0.446 . . . . 74.329999999999998 111.433 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' ' 56' ' ' VAL . 92.1 mt -80.58 -31.38 36.82 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.869 -0.605 . . . . 74.019999999999996 111.452 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -65.69 -35.06 79.68 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.068 0.547 . . . . 54.409999999999997 111.047 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -29.86 70.26 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.692 0.797 . . . . 75.209999999999994 111.388 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.523 ' NE2' HD23 ' A' ' 49' ' ' LEU . 49.1 mt-30 -85.71 3.33 41.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.828 0.851 . . . . 73.209999999999994 111.902 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.32 41.23 9.38 Favored Glycine 0 C--N 1.346 1.102 0 C-N-CA 122.74 0.21 . . . . 53.140000000000001 113.46 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 24' ' ' LYS . 96.3 m-85 -114.54 141.79 47.26 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.46 0.704 . . . . 55.509999999999998 109.654 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.39 81.91 4.7 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 108.937 -0.764 . . . . 74.439999999999998 108.937 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 49' ' ' LEU . 4.4 t -100.43 135.62 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.132 0.573 . . . . 73.400000000000006 110.307 -171.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 68' ' ' TRP . 3.5 mmp_? -133.66 161.22 35.24 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.561 0.744 . . . . 71.329999999999998 112.099 -167.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.55 117.1 29.6 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 113.967 -1.47 . . . . 75.25 107.949 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.62 162.96 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.38 0.672 . . . . 70.540000000000006 109.767 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -86.62 -65.91 0.96 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.238 0.615 . . . . 72.049999999999997 109.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.71 -170.16 3.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.29 -1.323 . . . . 62.43 108.157 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 35.5 t70 -70.07 -18.36 63.27 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.367 0.667 . . . . 74.140000000000001 111.961 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.76 -45.93 48.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.82 0.448 . . . . 74.430000000000007 110.219 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.72 -34.7 78.93 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.422 0.63 . . . . 70.0 110.556 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 87.3 mt -66.74 -37.56 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 114.037 -1.438 . . . . 51.140000000000001 110.147 175.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.79 -46.86 87.89 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.699 0.8 . . . . 63.350000000000001 111.398 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.53 -32.11 72.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.991 0.516 . . . . 75.430000000000007 110.224 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 57' ' ' ARG . 8.1 t90 -67.94 -42.89 80.29 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.396 -0.82 . . . . 72.420000000000002 110.774 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -75.95 -32.87 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.923 0.489 . . . . 63.119999999999997 110.175 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.97 -53.75 53.09 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.693 0.797 . . . . 64.239999999999995 111.246 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.69 -37.69 85.08 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.554 0.534 . . . . 72.239999999999995 111.497 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.56 -45.32 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.69 0.796 . . . . 71.400000000000006 110.607 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HE3' HG23 ' A' ' 81' ' ' VAL . 5.7 mmpt? -65.08 -34.15 77.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.031 0.532 . . . . 72.200000000000003 112.133 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -76.28 -42.28 46.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.517 0.727 . . . . 75.120000000000005 111.521 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -80.48 -46.62 15.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.869 0.867 . . . . 73.219999999999999 111.22 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -124.28 92.26 48.41 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.541 0.737 . . . . 72.5 109.857 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.83 -168.15 0.59 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.707 2.271 . . . . 53.43 110.503 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 73.06 -24.1 0.2 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.28 1.432 . . . . 75.329999999999998 113.051 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -105.64 131.44 53.01 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.125 -1.065 . . . . 73.409999999999997 108.125 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -85.59 144.62 27.78 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.074 -0.343 . . . . 63.539999999999999 110.074 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 HD11 ' A' ' 5' ' ' ILE . 42.6 t -117.17 124.88 73.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 124.108 0.963 . . . . 71.25 108.988 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -120.85 112.52 18.91 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.985 0.914 . . . . 74.450000000000003 108.793 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.4 mtmt -75.63 124.96 28.11 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.981 0.801 . . . . 74.409999999999997 109.737 171.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 89.2 t -114.04 88.49 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 62.119999999999997 108.001 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.2 p -79.92 -36.23 36.68 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 120.621 0.248 . . . . 75.129999999999995 110.751 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -116.66 153.25 32.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.376 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -55.71 -38.64 69.99 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.868 1.267 . . . . 65.5 112.163 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.59 -37.44 58.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.332 1.053 . . . . 74.340000000000003 112.342 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' HG13 ' A' ' 84' ' ' VAL . 66.4 mt-30 -71.59 -40.52 69.81 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.309 -0.86 . . . . 70.420000000000002 110.646 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -62.6 -37.24 85.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.645 0.778 . . . . 62.119999999999997 111.269 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.12 -35.6 56.18 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.604 0.761 . . . . 75.129999999999995 110.983 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -71.25 -43.91 66.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.557 0.343 . . . . 74.209999999999994 111.1 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 26.7 pt -65.05 -25.88 38.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 112.43 0.53 . . . . 74.120000000000005 112.43 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -56.0 -39.09 71.37 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.051 0.387 . . . . 71.109999999999999 111.302 170.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.47 -37.49 56.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.417 1.087 . . . . 65.230000000000004 110.797 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 27.8 t70 -68.26 -37.66 80.97 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.267 1.027 . . . . 74.209999999999994 111.961 -172.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.5 mp -75.76 -19.47 59.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.788 0.835 . . . . 75.120000000000005 110.533 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 46.8 mmtm . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.691 . . . . 75.209999999999994 109.169 170.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 17.3 ttmm . . . . . 0 C--O 1.244 0.814 0 N-CA-C 107.98 -1.119 . . . . 72.239999999999995 107.98 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' HB3' ' A' ' 29' ' ' GLU . 23.5 pt -110.89 139.25 35.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-O 121.577 0.703 . . . . 74.400000000000006 109.181 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mm -113.49 130.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.124 -1.065 . . . . 64.019999999999996 108.124 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 69' ' ' ILE . 54.4 t -112.59 110.13 31.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 108.421 -0.955 . . . . 72.319999999999993 108.421 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.474 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 68.4 mt -103.69 124.23 57.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 C-N-CA 124.622 1.169 . . . . 51.229999999999997 109.494 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG12 HG21 ' A' ' 65' ' ' ILE . 2.9 mp -93.12 101.05 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.669 -1.604 . . . . 72.239999999999995 106.669 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.433 ' HB3' HD22 ' A' ' 34' ' ' LEU . 36.3 t -98.02 104.07 16.07 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.224 -1.028 . . . . 65.409999999999997 108.224 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -89.62 73.35 7.72 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.761 -0.829 . . . . 63.43 108.761 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.85 22.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.198 1.799 . . . . 64.219999999999999 114.049 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.06 -178.87 7.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.996 0.918 . . . . 54.340000000000003 110.962 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -109.07 -48.29 3.29 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 124.282 1.033 . . . . 73.010000000000005 110.722 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -56.09 -42.74 77.2 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.966 1.098 . . . . 74.129999999999995 113.966 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.55 -20.72 58.46 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 122.123 -0.361 . . . . 73.510000000000005 110.593 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.05 -53.01 16.21 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 120.889 0.376 . . . . 72.25 110.287 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.28 -36.38 82.81 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.072 -0.513 . . . . 74.239999999999995 110.906 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.94 -36.52 83.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.192 0.597 . . . . 71.540000000000006 110.715 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.63 -35.39 65.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.088 0.955 . . . . 41.32 112.492 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -66.16 -41.61 90.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.532 0.733 . . . . 70.120000000000005 111.121 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -36.0 72.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.526 0.73 . . . . 74.109999999999999 111.147 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 93' ' ' ILE . 87.3 mt -65.37 -47.34 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.984 0.914 . . . . 74.409999999999997 110.933 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 11.7 ptpt -71.85 -21.31 61.69 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.666 0.247 . . . . 72.099999999999994 111.666 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.84 -14.64 62.92 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.9 0.88 . . . . 73.340000000000003 111.413 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.745 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.5 mm-40 -85.24 5.87 28.44 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.642 0.777 . . . . 72.040000000000006 110.837 174.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.9 5.17 64.55 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.324 0.488 . . . . 34.520000000000003 112.559 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD11 HD21 ' A' ' 97' ' ' LEU . 16.2 mt -78.4 143.66 36.6 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.931 0.493 . . . . 73.439999999999998 110.635 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' ILE . 43.5 tt0 -89.2 118.12 28.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.288 -1.004 . . . . 73.540000000000006 108.288 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -116.96 125.75 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.055 0.542 . . . . 72.239999999999995 110.85 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -105.6 132.87 51.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.225 1.41 . . . . 71.400000000000006 107.283 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' HG22 ' A' ' 56' ' ' VAL . 19.1 mm -109.32 124.65 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.934 -0.765 . . . . 72.230000000000004 108.934 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 59' ' ' VAL . 50.0 mt -96.46 110.87 23.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.012 -0.736 . . . . 74.209999999999994 109.012 171.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -100.79 128.15 46.95 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.815 -1.084 . . . . 75.540000000000006 108.821 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 137.11 38.41 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.679 -0.86 . . . . 70.209999999999994 108.679 166.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 17.4 t70 -131.3 171.47 13.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.874 1.27 . . . . 64.120000000000005 108.035 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.94 -17.77 56.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.428 0.291 . . . . 52.509999999999998 111.008 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -143.49 140.08 30.14 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.792 0.806 . . . . 72.549999999999997 111.244 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.55 -28.95 69.7 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 113.74 -1.573 . . . . 62.539999999999999 113.751 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -78.71 -38.41 39.11 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.215 0.461 . . . . 74.109999999999999 111.925 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -72.69 -34.94 67.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.101 -0.703 . . . . 70.340000000000003 109.101 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 22.5 tp -56.65 -54.8 41.91 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.674 -1.148 . . . . 64.450000000000003 111.788 174.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.41 -31.61 70.54 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.855 0.862 . . . . 63.210000000000001 111.023 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.1 mm-40 -60.63 -62.37 1.91 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.837 -0.431 . . . . 75.209999999999994 109.837 173.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -55.09 -38.86 68.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.612 1.165 . . . . 63.210000000000001 112.097 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.6 mt -56.96 -57.22 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.863 0.727 . . . . 72.420000000000002 110.049 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -67.16 -28.2 67.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.342 -0.845 . . . . 73.200000000000003 112.297 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 66.4 mmtt -66.21 -52.66 45.78 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.17 -0.678 . . . . 75.109999999999999 109.17 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 80.6 mt -66.53 -29.65 69.79 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.153 -0.93 . . . . 74.129999999999995 111.844 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 45.6 mtpt -73.0 -35.22 66.8 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.17 0.441 . . . . 74.239999999999995 111.115 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -63.27 -33.7 76.07 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.27 0.628 . . . . 74.219999999999999 110.633 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.42 -21.26 62.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.64 0.776 . . . . 62.399999999999999 111.437 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.6 20.98 6.66 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 113.949 0.34 . . . . 54.32 113.949 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 88.1 m-85 -103.33 137.88 40.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.576 0.75 . . . . 75.319999999999993 109.438 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.35 89.31 6.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.112 -0.699 . . . . 74.040000000000006 109.112 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.8 t -99.72 132.53 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.533 -0.758 . . . . 61.020000000000003 109.771 -175.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.05 153.16 48.05 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 123.415 0.686 . . . . 75.340000000000003 110.795 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HG3' HD21 ' A' ' 42' ' ' LEU . 63.6 tttm -89.94 127.41 36.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.998 -1.455 . . . . 74.239999999999995 109.587 -173.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 33' ' ' LEU . 6.5 m -114.94 151.18 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.834 0.854 . . . . 71.400000000000006 110.401 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -66.41 -74.8 0.1 Allowed 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.799 0.687 . . . . 73.310000000000002 109.809 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.36 -178.15 4.13 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.953 0.901 . . . . 63.240000000000002 109.357 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 65' ' ' ILE . 14.9 m-20 -66.2 -34.08 77.21 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.802 -0.444 . . . . 74.230000000000004 109.802 167.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.4 -48.11 13.57 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 114.68 -1.145 . . . . 65.129999999999995 111.269 163.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 33.4 t70 -81.95 -19.9 39.69 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.913 0.485 . . . . 63.109999999999999 110.724 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 62' ' ' ASP . 60.6 mt -64.25 -55.48 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.338 0.655 . . . . 75.219999999999999 110.375 172.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.52 -34.05 77.32 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.097 0.475 . . . . 75.420000000000002 110.349 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 64' ' ' ASP . 33.2 ttpt -71.12 -29.19 64.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.325 1.05 . . . . 65.200000000000003 110.718 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.491 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.6 t90 -68.36 -42.4 79.27 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 123.288 0.635 . . . . 74.129999999999995 109.816 174.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -72.37 -30.78 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 108.99 -0.744 . . . . 73.109999999999999 108.99 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.05 -50.54 70.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.932 0.893 . . . . 65.340000000000003 111.081 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.15 -35.36 71.65 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.345 0.403 . . . . 70.319999999999993 110.93 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -63.33 -43.36 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 122.735 0.414 . . . . 75.239999999999995 111.267 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.08 -33.95 76.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.44 0.696 . . . . 74.400000000000006 110.676 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -72.69 -36.35 67.85 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.231 1.012 . . . . 75.209999999999994 110.785 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.27 -34.5 36.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.108 0.963 . . . . 73.239999999999995 110.267 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -128.94 71.45 81.78 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 124.161 0.984 . . . . 71.040000000000006 109.613 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.27 4.59 6.96 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.466 2.111 . . . . 70.319999999999993 112.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.75 -11.99 46.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.912 0.885 . . . . 74.239999999999995 111.707 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.34 176.04 6.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.368 0.667 . . . . 74.230000000000004 110.885 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.575 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 4.3 pt-20 -120.58 127.1 51.82 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.041 0.936 . . . . 73.310000000000002 109.467 -173.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.05 136.24 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.5 1.12 . . . . 63.130000000000003 109.662 -173.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.2 tpt180 -118.48 136.92 53.53 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.642 0.777 . . . . 65.430000000000007 109.881 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HG2' HG12 ' A' ' 69' ' ' ILE . 29.9 mtmm -92.55 116.77 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 72.549999999999997 108.916 171.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 65.1 t -105.8 90.85 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 123.914 0.886 . . . . 72.010000000000005 108.763 175.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.412 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 40.3 p -92.67 -20.68 20.58 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.795 0.438 . . . . 75.420000000000002 110.821 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -117.25 151.73 36.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.517 1.127 . . . . 75.340000000000003 108.992 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -32.47 71.42 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.889 0.476 . . . . 73.200000000000003 109.934 166.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.69 -50.94 41.7 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 124.827 1.251 . . . . 74.200000000000003 109.977 171.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.49 -43.16 93.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.303 1.002 . . . . 73.349999999999994 111.291 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.9 -32.67 74.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.294 0.638 . . . . 65.530000000000001 111.894 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -78.9 -35.37 43.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.54 0.736 . . . . 71.519999999999996 110.802 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -69.27 -45.18 70.3 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.516 0.727 . . . . 73.109999999999999 111.295 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 23' ' ' ILE . 37.5 pt -61.86 -33.68 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.832 0.707 . . . . 74.120000000000005 112.051 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.69 -40.26 68.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.015 0.371 . . . . 72.209999999999994 110.434 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.58 -34.91 58.43 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 75.040000000000006 111.072 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 80.5 m-20 -68.81 -22.34 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.56 0.744 . . . . 70.510000000000005 110.682 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.745 HD23 ' HG3' ' A' ' 26' ' ' GLU . 1.7 mp -72.1 -42.49 66.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.407 1.083 . . . . 74.340000000000003 109.953 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp . . . . . 0 N--CA 1.477 0.875 0 CA-C-N 115.777 -0.647 . . . . 65.219999999999999 110.837 -173.271 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 79.4 tttt . . . . . 0 C--O 1.241 0.651 0 N-CA-C 106.468 -1.679 . . . . 73.510000000000005 106.468 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 79' ' ' LEU . 49.5 pt -129.4 147.04 33.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.996 0.903 . . . . 73.310000000000002 111.708 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.32 122.89 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 113.933 -1.485 . . . . 75.299999999999997 107.218 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 69' ' ' ILE . 76.3 t -109.11 112.23 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 108.181 -1.044 . . . . 75.400000000000006 108.181 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.4 mt -106.55 122.19 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.551 0.74 . . . . 62.329999999999998 109.864 -173.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 HD12 ' A' ' 65' ' ' ILE . 3.1 mp -89.13 99.45 9.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 105.89 -1.892 . . . . 65.519999999999996 105.89 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -90.59 111.02 22.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.121 0.486 . . . . 61.210000000000001 110.266 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 m -123.31 113.29 18.67 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.679 -1.23 . . . . 71.510000000000005 107.679 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.65 -78.28 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.114 1.366 . . . . 65.329999999999998 112.225 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.78 134.42 49.72 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 61.539999999999999 112.886 -165.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -85.16 -22.93 28.6 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.82 1.248 . . . . 60.219999999999999 112.751 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -63.76 -25.63 68.27 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.657 0.614 . . . . 71.120000000000005 112.657 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.1 -42.28 94.36 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.244 0.545 . . . . 75.439999999999998 110.026 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.96 -29.42 58.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.644 1.178 . . . . 71.150000000000006 110.705 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -66.67 -46.53 75.38 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.879 -0.6 . . . . 62.409999999999997 109.514 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 94' ' ' LEU . 95.7 mt -64.68 -32.9 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.181 0.992 . . . . 73.120000000000005 110.685 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -59.94 -33.24 71.63 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.186 0.994 . . . . 72.349999999999994 111.735 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -72.16 -25.2 61.6 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.245 -0.888 . . . . 75.340000000000003 110.958 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 12.8 mptt -79.6 -38.15 34.6 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.464 0.306 . . . . 61.340000000000003 110.412 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 20' ' ' ALA . 97.5 mt -58.61 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.001 0.92 . . . . 74.329999999999998 110.571 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -56.98 -24.32 52.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 113.068 0.766 . . . . 73.530000000000001 113.068 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.67 -19.58 65.81 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.117 0.967 . . . . 71.450000000000003 111.979 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' HD23 ' A' ' 97' ' ' LEU . 25.7 mm-40 -77.78 -4.44 46.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.502 0.721 . . . . 42.020000000000003 112.035 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.43 32.99 9.7 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.182 0.301 . . . . 75.510000000000005 113.569 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -127.28 147.96 50.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.853 0.861 . . . . 64.0 109.165 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 5' ' ' ILE . 29.8 tt0 -76.17 142.51 41.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.244 0.618 . . . . 63.130000000000003 110.392 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 20' ' ' ALA . 58.0 t -121.94 127.97 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.939 0.496 . . . . 61.009999999999998 109.892 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HE2' HG21 ' A' ' 5' ' ' ILE . 80.2 m-85 -104.04 141.45 36.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.02 -1.104 . . . . 74.209999999999994 108.02 175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -122.62 111.68 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 108.081 -1.081 . . . . 74.349999999999994 108.081 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 mt -90.8 109.09 20.29 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.421 0.688 . . . . 75.319999999999993 109.168 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD23 HG13 ' A' ' 56' ' ' VAL . 4.5 mm? -85.95 122.31 29.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.172 0.589 . . . . 73.420000000000002 110.089 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -149.17 115.65 5.86 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.919 0.888 . . . . 70.109999999999999 108.897 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' HD13 ' A' ' 42' ' ' LEU . 24.9 t70 -135.63 171.9 13.79 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.66 0.784 . . . . 72.340000000000003 109.245 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 4.3 mptt -64.0 -29.74 70.87 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.012 0.525 . . . . 75.310000000000002 110.66 175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.93 117.92 26.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.081 0.953 . . . . 42.439999999999998 110.099 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.39 -19.33 62.28 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.667 1.187 . . . . 64.209999999999994 113.811 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.09 -59.27 4.31 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.261 0.482 . . . . 72.109999999999999 111.092 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.3 ttt-85 -76.11 -21.57 56.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.404 0.681 . . . . 70.25 110.592 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' HB2' ' A' ' 36' ' ' ASP . 46.5 tp -59.82 -38.12 81.11 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.479 0.712 . . . . 74.230000000000004 110.755 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 30.0 tt0 -77.96 -30.72 50.5 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.63 -0.714 . . . . 73.230000000000004 112.322 -174.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -66.19 -33.57 76.05 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.782 -0.451 . . . . 73.540000000000006 109.782 177.165 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.54 -32.0 73.08 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 115.49 -0.777 . . . . 71.349999999999994 110.826 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 43' ' ' GLU . 58.1 mt -59.2 -40.84 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.368 0.667 . . . . 72.299999999999997 109.804 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -67.24 -43.24 82.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.809 -0.632 . . . . 75.409999999999997 110.232 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -57.38 -41.95 81.18 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.917 0.887 . . . . 64.319999999999993 111.709 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.519 HD23 ' NE2' ' A' ' 52' ' ' GLN . 85.0 mt -77.08 -33.41 57.05 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.44 -0.8 . . . . 75.450000000000003 112.292 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.89 -33.86 75.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.239 0.216 . . . . 71.540000000000006 110.656 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -61.29 -34.33 75.03 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.899 0.48 . . . . 70.140000000000001 111.502 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.519 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.7 mt-30 -83.74 -4.62 58.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.293 0.637 . . . . 70.129999999999995 111.945 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.27 46.31 8.23 Favored Glycine 0 C--N 1.347 1.159 0 O-C-N 122.959 0.162 . . . . 24.539999999999999 113.133 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -104.43 143.16 33.38 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.124 0.57 . . . . 61.509999999999998 110.19 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 91.03 6.28 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.173 -1.417 . . . . 74.439999999999998 107.173 172.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 HD23 ' A' ' 34' ' ' LEU . 49.3 t -93.88 132.84 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.762 -1.108 . . . . 55.219999999999999 110.583 -171.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 129.65 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.706 -0.849 . . . . 70.040000000000006 108.706 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.94 131.03 34.75 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.328 -0.99 . . . . 73.439999999999998 108.328 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 65' ' ' ILE . 19.0 m -121.14 169.35 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.393 0.677 . . . . 73.120000000000005 109.932 -176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 10.2 mmpt? -93.85 -69.34 0.75 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 122.924 0.489 . . . . 73.129999999999995 110.004 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.29 176.04 8.86 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.152 0.581 . . . . 61.049999999999997 110.837 -169.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.79 -33.64 72.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.073 0.949 . . . . 70.209999999999994 112.067 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.43 -36.97 62.11 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.858 0.463 . . . . 54.109999999999999 111.244 165.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.19 -32.13 55.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.247 0.619 . . . . 73.25 111.469 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 59' ' ' VAL . 8.9 mm -63.59 -54.08 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 123.692 0.797 . . . . 74.540000000000006 110.453 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.99 -38.99 80.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.46 1.104 . . . . 75.319999999999993 110.905 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -67.1 -39.34 86.69 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.47 -1.241 . . . . 63.020000000000003 110.446 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -61.87 -44.46 96.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.19 0.996 . . . . 72.299999999999997 111.124 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -74.54 -37.28 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 115.9 -0.591 . . . . 73.329999999999998 109.863 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.54 -45.44 91.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.526 0.731 . . . . 73.239999999999995 110.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -74.81 -26.6 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.168 -0.469 . . . . 55.030000000000001 110.98 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.42 -35.17 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 C-N-CA 122.803 0.441 . . . . 73.340000000000003 111.235 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.09 -26.79 68.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.574 0.35 . . . . 73.140000000000001 110.953 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -81.6 -37.5 27.54 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.707 0.803 . . . . 64.450000000000003 110.195 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 17.8 mm-40 -64.34 -51.83 61.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.298 0.57 . . . . 64.230000000000004 110.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -137.42 88.65 16.69 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.308 1.043 . . . . 75.319999999999993 108.573 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.63 -7.81 19.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.657 2.238 . . . . 64.010000000000005 113.695 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.95 -28.07 69.27 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.597 0.962 . . . . 64.340000000000003 113.597 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -113.4 155.19 25.69 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.493 0.923 . . . . 71.450000000000003 113.493 -164.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.555 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 52.1 mt-10 -80.0 147.21 31.64 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.396 -1.275 . . . . 73.209999999999994 108.495 168.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.91 122.86 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.202 -0.666 . . . . 72.439999999999998 109.202 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -113.01 136.73 52.37 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.791 -0.818 . . . . 64.530000000000001 108.791 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HG2' HG12 ' A' ' 69' ' ' ILE . 34.5 mtmm -99.4 117.36 33.66 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.158 -1.053 . . . . 71.040000000000006 108.158 171.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 90' ' ' ALA . 99.1 t -109.56 92.38 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.028 -0.73 . . . . 74.019999999999996 109.028 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.4 p -87.64 -16.17 35.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.655 -0.702 . . . . 64.109999999999999 111.344 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -137.73 149.55 46.57 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.656 0.782 . . . . 74.409999999999997 110.302 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.61 -36.95 57.36 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.073 1.349 . . . . 74.319999999999993 112.484 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 14.7 t70 -49.56 -46.21 48.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.547 1.139 . . . . 63.420000000000002 112.032 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.25 -34.24 74.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.108 0.563 . . . . 53.32 111.212 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.91 -35.61 80.39 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.58 0.55 . . . . 73.219999999999999 111.005 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.22 -38.32 75.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.813 0.845 . . . . 65.540000000000006 111.047 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 16.5 mm100 -77.36 -35.21 54.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.819 0.448 . . . . 55.219999999999999 111.472 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.482 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 14.2 pt -72.36 -23.37 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 112.184 0.438 . . . . 60.039999999999999 112.184 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -53.92 -31.12 49.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 120.633 0.254 . . . . 64.010000000000005 110.342 166.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.85 -54.38 6.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.442 0.697 . . . . 75.420000000000002 110.292 174.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t70 -43.32 -43.36 4.95 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.991 1.316 . . . . 35.229999999999997 114.148 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 93' ' ' ILE . 6.5 mp -66.77 -26.63 67.06 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.68 0.792 . . . . 73.040000000000006 111.646 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.486 1.334 0 C-N-CA 124.438 1.095 . . . . 61.549999999999997 111.195 178.03 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 109.83 -0.433 . . . . 73.549999999999997 109.83 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 79' ' ' LEU . 38.6 pt -122.71 141.37 43.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 108.913 -0.773 . . . . 75.450000000000003 108.913 168.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -113.44 126.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.213 -1.032 . . . . 73.420000000000002 108.213 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 69' ' ' ILE . 61.7 t -111.42 107.59 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.977 -0.749 . . . . 73.230000000000004 108.977 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 20' ' ' ALA . 19.4 mt -100.69 118.66 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.524 0.73 . . . . 73.519999999999996 109.588 -174.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.79 101.26 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 107.437 -1.32 . . . . 74.439999999999998 107.437 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.0 t -100.08 148.14 24.88 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.351 0.66 . . . . 74.510000000000005 111.075 -177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 p -144.49 81.66 1.67 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.498 -1.228 . . . . 54.43 109.183 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t70 76.94 -38.13 0.3 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.106 1.362 . . . . 72.439999999999998 113.352 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.67 142.73 58.33 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.097 0.559 . . . . 61.409999999999997 112.067 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -100.47 -20.79 15.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.77 0.828 . . . . 74.109999999999999 112.443 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -58.31 -47.23 84.37 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.68 0.622 . . . . 75.420000000000002 112.68 -173.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -76.32 -21.13 56.57 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 111.965 0.357 . . . . 73.319999999999993 111.965 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.32 -40.37 70.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.118 0.567 . . . . 73.329999999999998 110.365 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.92 -34.28 51.38 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.433 -0.349 . . . . 51.409999999999997 110.978 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.72 -35.41 72.64 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.832 0.453 . . . . 71.150000000000006 110.077 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -55.5 -34.79 64.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.441 1.096 . . . . 61.210000000000001 112.606 177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -67.7 -36.22 80.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.948 0.899 . . . . 75.409999999999997 110.692 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -71.52 -42.01 68.51 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.469 0.708 . . . . 70.030000000000001 109.426 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 HD11 ' A' ' 28' ' ' LEU . 96.4 mt -62.07 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.855 1.262 . . . . 74.430000000000007 111.732 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.8 ptpt -76.86 -16.83 59.3 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.737 0.643 . . . . 44.140000000000001 112.737 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.33 -12.0 12.14 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.45 0.7 . . . . 65.409999999999997 111.967 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.602 ' HG3' HD23 ' A' ' 97' ' ' LEU . 33.4 mm-40 -73.94 -8.94 57.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.34 1.056 . . . . 74.409999999999997 112.64 171.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.21 29.81 13.92 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.053 0.221 . . . . 71.310000000000002 112.712 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.621 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -122.0 158.9 28.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.78 0.832 . . . . 74.230000000000004 109.593 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -87.18 143.25 27.38 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.079 0.4 . . . . 71.349999999999994 110.824 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 24' ' ' LYS . 71.3 t -120.64 129.84 75.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 123.682 0.793 . . . . 72.530000000000001 109.42 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 97.3 m-85 -110.66 117.47 33.59 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.893 1.277 . . . . 73.120000000000005 107.985 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 8.5 mm -95.1 122.87 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 108.901 -0.777 . . . . 70.439999999999998 108.901 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 59' ' ' VAL . 54.3 mt -97.98 104.57 16.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.131 -0.692 . . . . 75.129999999999995 109.131 173.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.7 OUTLIER -89.78 128.22 36.1 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.641 -0.874 . . . . 63.32 108.641 -178.157 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -146.6 122.64 10.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.469 -0.937 . . . . 70.239999999999995 108.469 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' H ' HD22 ' A' ' 42' ' ' LEU . 21.4 t70 -132.76 171.48 13.83 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.572 1.149 . . . . 74.340000000000003 108.278 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -70.44 -30.51 67.38 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.016 0.527 . . . . 71.540000000000006 110.875 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -115.72 113.08 22.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.86 0.864 . . . . 71.040000000000006 109.832 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.49 -15.83 63.88 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.326 1.232 . . . . 75.099999999999994 114.326 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.89 -59.42 2.72 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.883 0.765 . . . . 75.209999999999994 110.234 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -69.13 -22.98 63.92 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.741 0.651 . . . . 71.430000000000007 110.169 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 ' H ' ' A' ' 36' ' ' ASP . 38.3 tp -63.05 -51.49 66.5 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.15 1.38 . . . . 75.129999999999995 111.219 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 11.4 mm-40 -63.0 -37.13 85.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.981 0.512 . . . . 71.109999999999999 111.478 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.71 -38.12 86.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.495 0.718 . . . . 72.400000000000006 110.758 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.8 -41.09 97.3 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.814 1.245 . . . . 74.439999999999998 109.923 177.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.84 -46.82 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.678 -1.601 . . . . 74.109999999999999 110.854 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.2 mm-40 -64.59 -37.83 88.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 123.468 0.48 . . . . 73.230000000000004 111.22 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -64.28 -46.02 85.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.897 0.748 . . . . 64.010000000000005 111.202 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 56' ' ' VAL . 97.6 mt -69.3 -31.72 70.39 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 123.841 0.713 . . . . 75.109999999999999 112.008 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.59 -35.19 70.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.643 0.377 . . . . 65.209999999999994 110.17 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 t -67.49 -31.78 72.14 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.528 0.731 . . . . 71.209999999999994 111.311 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.496 HE21 ' HE2' ' A' ' 54' ' ' PHE . 29.0 mt-30 -69.53 -19.39 63.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.191 0.596 . . . . 72.430000000000007 111.316 171.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.47 49.71 2.51 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.731 -0.548 . . . . 64.099999999999994 111.731 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.496 ' HE2' HE21 ' A' ' 52' ' ' GLN . 98.2 m-85 -125.48 136.0 52.9 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.807 -1.183 . . . . 61.240000000000002 107.807 171.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.56 102.15 9.59 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.835 -0.802 . . . . 75.140000000000001 108.835 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' A' ' 49' ' ' LEU . 27.3 t -113.33 132.54 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.023 -0.989 . . . . 65.329999999999998 109.732 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -127.38 143.47 51.21 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.062 -1.088 . . . . 74.329999999999998 108.062 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -85.87 132.52 34.08 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.643 -1.243 . . . . 75.409999999999997 107.643 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 33' ' ' LEU . 3.5 m -114.51 152.5 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.335 0.654 . . . . 64.450000000000003 110.066 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -73.14 -43.98 60.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.74 -1.118 . . . . 51.100000000000001 110.851 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -173.61 -175.66 1.15 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.325 1.05 . . . . 63.229999999999997 110.372 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -68.1 -43.22 78.97 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.255 0.835 . . . . 73.530000000000001 113.255 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 7.5 m-20 -50.86 -38.08 47.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.556 0.342 . . . . 52.310000000000002 110.493 171.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.62 -40.23 76.7 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.594 0.757 . . . . 72.340000000000003 109.719 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 HD12 ' A' ' 33' ' ' LEU . 90.7 mt -62.25 -51.57 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 124.082 0.953 . . . . 74.400000000000006 112.141 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.58 -55.27 35.97 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.374 0.67 . . . . 72.430000000000007 111.456 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -66.15 -21.24 66.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.285 -0.87 . . . . 71.019999999999996 112.795 175.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 69' ' ' ILE . 54.4 t90 -64.35 -36.72 85.05 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.34 0.591 . . . . 74.239999999999995 110.097 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -76.14 -41.88 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 115.353 -0.84 . . . . 73.530000000000001 109.958 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 37.9 t70 -61.92 -37.82 86.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.055 0.942 . . . . 63.210000000000001 112.037 -172.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 15.1 ptmm? -67.89 -39.1 83.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 123.564 0.54 . . . . 52.340000000000003 111.289 178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.55 -33.79 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 122.491 0.316 . . . . 65.340000000000003 110.621 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 70' ' ' ASP . 10.5 mtmp? -63.85 -31.63 72.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.549 0.34 . . . . 72.439999999999998 111.169 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -73.78 -39.09 64.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.024 0.53 . . . . 65.510000000000005 110.151 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 7.3 mm-40 -71.34 -35.37 71.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.705 0.402 . . . . 62.399999999999999 111.338 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -141.02 91.71 8.84 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.665 0.786 . . . . 74.319999999999993 110.311 -174.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 -15.63 21.06 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.774 2.316 . . . . 75.019999999999996 113.048 170.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.1 -29.56 68.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.713 0.805 . . . . 61.420000000000002 112.519 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 5' ' ' ILE . 2.6 pp -110.43 163.1 14.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.488 1.115 . . . . 71.349999999999994 110.355 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.58 ' HG2' ' HB3' ' A' ' 4' ' ' LYS . 2.0 pm0 -101.29 164.32 11.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.749 -0.463 . . . . 74.019999999999996 109.749 167.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -134.64 130.07 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.496 0.718 . . . . 61.219999999999999 109.153 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.5 tpt180 -126.05 125.29 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.196 0.598 . . . . 75.239999999999995 110.149 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -91.17 117.36 29.55 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.085 0.554 . . . . 71.140000000000001 109.546 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG11 ' HB2' ' A' ' 90' ' ' ALA . 50.1 t -99.2 94.89 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.363 1.065 . . . . 74.230000000000004 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -85.98 -8.89 57.66 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.799 -1.092 . . . . 54.140000000000001 112.338 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -155.79 158.26 37.84 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.304 1.042 . . . . 74.0 108.454 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 12.6 pt-20 -55.52 -28.81 56.92 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.566 0.747 . . . . 70.439999999999998 112.227 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.99 -44.61 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.381 1.073 . . . . 74.530000000000001 111.282 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.7 mm100 -62.31 -37.17 84.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.857 0.723 . . . . 72.310000000000002 110.925 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.504 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.88 -33.29 75.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.19 0.596 . . . . 71.329999999999998 111.236 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 94' ' ' LEU . 58.5 mtpt -77.68 -32.67 53.22 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.251 0.621 . . . . 74.099999999999994 111.339 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.03 -44.88 83.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.199 0.6 . . . . 65.450000000000003 110.005 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.549 HG21 ' HG2' ' A' ' 82' ' ' ARG . 26.3 pt -73.38 -22.67 19.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 112.825 0.676 . . . . 73.120000000000005 112.825 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 90' ' ' ALA . 95.6 mt -54.58 -30.27 53.84 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.654 0.661 . . . . 75.120000000000005 110.484 167.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.08 -50.42 8.52 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.669 0.787 . . . . 72.329999999999998 110.164 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 61.0 m-20 -54.14 -29.17 44.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 113.666 0.987 . . . . 60.32 113.666 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 26' ' ' GLU . 3.9 mp -75.73 -20.88 58.01 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.775 0.83 . . . . 50.119999999999997 110.356 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-N 115.064 -0.971 . . . . 70.239999999999995 109.371 173.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 108.87 -0.789 . . . . 75.010000000000005 108.87 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.31 158.53 4.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 108.591 -0.892 . . . . 73.230000000000004 108.591 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -117.48 136.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 107.692 -1.225 . . . . 71.030000000000001 107.692 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 69' ' ' ILE . 97.3 t -113.04 114.73 47.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.142 -1.429 . . . . 71.549999999999997 107.142 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 67.4 mt -110.77 123.21 66.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.267 -1.012 . . . . 73.310000000000002 108.267 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -95.9 96.15 5.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 105.251 -2.129 . . . . 63.329999999999998 105.251 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.4 t -79.46 98.68 6.89 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.014 -1.476 . . . . 75.340000000000003 107.014 -173.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 t -100.37 86.74 3.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.25 -0.886 . . . . 51.049999999999997 110.194 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 77.09 -59.39 0.48 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.524 1.529 . . . . 61.140000000000001 112.757 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.92 153.73 41.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.308 1.043 . . . . 52.520000000000003 111.808 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -84.66 -23.26 29.53 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.979 0.733 . . . . 73.329999999999998 112.979 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 m -50.59 -40.67 53.09 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.055 0.761 . . . . 74.140000000000001 113.055 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.7 mp -70.38 -29.9 66.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.968 0.507 . . . . 73.299999999999997 110.677 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.4 -41.43 76.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.165 0.986 . . . . 71.129999999999995 110.208 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -69.12 -48.83 61.43 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.974 0.909 . . . . 74.430000000000007 111.483 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.727 HD22 HD11 ' A' ' 94' ' ' LEU . 94.9 mt -66.12 -37.97 87.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.565 0.746 . . . . 53.119999999999997 111.048 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -35.79 30.55 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.6 1.16 . . . . 72.439999999999998 113.564 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -73.85 -30.89 62.92 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.366 -0.833 . . . . 72.5 111.134 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.69 -43.48 89.11 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.474 0.71 . . . . 75.409999999999997 110.068 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.61 -52.27 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.779 0.675 . . . . 75.329999999999998 112.154 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.6 ptpt -67.19 -19.07 65.51 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.416 0.895 . . . . 70.349999999999994 113.416 -173.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.15 -23.79 62.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.539 0.736 . . . . 70.200000000000003 111.464 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.54 -1.06 17.09 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.943 0.897 . . . . 63.350000000000001 112.295 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 32.12 5.97 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 123.155 0.407 . . . . 65.230000000000004 113.933 171.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 174.18 9.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.374 0.67 . . . . 72.329999999999998 110.59 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -98.36 147.55 24.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.398 0.679 . . . . 74.010000000000005 109.772 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 24' ' ' LYS . 89.5 t -119.44 131.9 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.625 0.77 . . . . 72.310000000000002 109.236 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 83.5 m-85 -108.95 115.19 29.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.344 -0.984 . . . . 73.209999999999994 108.344 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' HG22 ' A' ' 56' ' ' VAL . 34.6 mm -91.33 131.33 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.493 -0.558 . . . . 73.120000000000005 109.493 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.611 ' HB2' HG13 ' A' ' 9' ' ' ILE . 74.3 mt -103.86 106.75 17.35 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.315 -0.994 . . . . 74.209999999999994 108.315 167.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -78.39 127.79 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.729 -0.668 . . . . 73.340000000000003 109.28 -173.208 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -133.43 120.5 20.99 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 106.765 -1.568 . . . . 60.350000000000001 106.765 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -132.78 170.0 15.9 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.703 -0.851 . . . . 74.409999999999997 108.703 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -37.44 74.44 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.656 -0.868 . . . . 73.0 108.656 174.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.67 123.76 50.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.782 0.833 . . . . 75.349999999999994 108.977 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.1 -18.8 65.58 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.139 0.427 . . . . 45.520000000000003 111.224 173.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -54.86 -59.17 5.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.864 1.266 . . . . 72.099999999999994 109.922 167.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -74.08 -24.42 59.49 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.852 -1.067 . . . . 74.299999999999997 111.667 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.1 tt -60.54 -53.72 54.1 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 71.310000000000002 109.699 174.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.06 -39.89 91.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.839 0.856 . . . . 74.400000000000006 111.278 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.94 -40.65 91.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.835 0.854 . . . . 70.329999999999998 110.572 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 34' ' ' LEU . 38.8 ttmt -72.5 -26.76 61.9 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.843 0.857 . . . . 53.229999999999997 111.209 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.611 HG23 ' HB ' ' A' ' 56' ' ' VAL . 38.8 mt -59.0 -44.79 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.086 -0.709 . . . . 74.049999999999997 109.086 169.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -67.71 -39.07 84.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.148 0.579 . . . . 65.099999999999994 110.879 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.19 -55.0 38.5 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.95 0.781 . . . . 73.349999999999994 110.711 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 56' ' ' VAL . 65.2 mt -71.67 -36.93 70.79 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.204 -0.907 . . . . 63.409999999999997 112.043 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 30.2 mtpp -62.38 -42.0 99.08 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 118.604 0.638 . . . . 73.140000000000001 111.254 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 t -65.45 -30.43 71.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.216 0.606 . . . . 51.130000000000003 111.656 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.478 ' NE2' HD23 ' A' ' 49' ' ' LEU . 49.9 mt-30 -71.47 -22.39 61.82 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.775 0.43 . . . . 75.299999999999997 111.106 173.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.74 6.92 7.63 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-O 119.652 -0.527 . . . . 64.150000000000006 113.96 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 93.7 m-85 -85.33 160.8 19.73 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.647 0.724 . . . . 74.530000000000001 110.76 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -104.22 114.65 29.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.476 -1.305 . . . . 72.439999999999998 107.476 165.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' A' ' 46' ' ' ILE . 12.4 t -117.66 133.16 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.26 0.624 . . . . 65.430000000000007 109.815 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 3.3 mmp_? -127.23 152.48 47.33 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.689 0.796 . . . . 73.230000000000004 110.665 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -92.3 125.55 37.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 108.006 -1.109 . . . . 74.430000000000007 108.006 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 33' ' ' LEU . 5.6 m -121.06 178.78 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.901 0.88 . . . . 62.350000000000001 110.169 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -109.24 -96.58 0.39 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.562 0.745 . . . . 73.25 109.838 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -95.6 175.35 6.58 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.523 0.729 . . . . 73.400000000000006 109.159 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.7 t70 -64.23 -27.94 69.4 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.38 0.672 . . . . 72.120000000000005 111.011 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -54.55 -48.24 72.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.371 0.668 . . . . 65.209999999999994 111.267 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.4 -33.67 65.12 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.649 0.779 . . . . 74.439999999999998 111.132 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.489 HG23 HD12 ' A' ' 33' ' ' LEU . 93.6 mt -59.83 -49.17 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.797 -1.092 . . . . 63.130000000000003 110.041 171.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.11 -38.19 90.2 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.026 0.93 . . . . 62.109999999999999 111.124 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -72.07 -29.67 64.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.726 0.81 . . . . 74.5 110.549 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.414 ' HE3' HD12 ' A' ' 69' ' ' ILE . 55.8 t90 -70.36 -33.85 71.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.697 0.799 . . . . 63.43 110.333 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.561 HG12 ' HG3' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -36.46 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.003 0.521 . . . . 75.230000000000004 109.638 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.14 -43.05 82.07 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.993 0.917 . . . . 72.439999999999998 111.771 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -66.42 -36.6 83.22 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.212 -0.423 . . . . 64.219999999999999 111.369 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mt -70.17 -36.29 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.207 0.458 . . . . 72.230000000000004 110.401 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.516 0.326 . . . . 74.450000000000003 110.591 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.1 ttmp? -79.16 -42.6 25.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 74.519999999999996 111.629 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 16.8 mm-40 -82.77 -40.23 20.75 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.264 0.626 . . . . 74.439999999999998 110.33 -176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -129.65 83.55 64.15 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.937 0.895 . . . . 71.340000000000003 110.965 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.74 -5.95 18.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.928 2.419 . . . . 61.25 112.271 166.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.02 -7.14 38.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.317 1.047 . . . . 70.209999999999994 113.199 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.44 144.34 34.37 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.058 0.943 . . . . 73.420000000000002 109.714 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.46 144.41 39.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.434 -0.58 . . . . 75.230000000000004 109.434 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.35 123.82 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.195 -0.669 . . . . 62.140000000000001 109.195 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -109.54 132.9 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.726 0.811 . . . . 71.450000000000003 109.451 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 69' ' ' ILE . 12.0 mtpt -95.47 121.28 36.98 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 108.721 -0.844 . . . . 70.219999999999999 108.721 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 93' ' ' ILE . 69.4 t -122.02 89.54 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 N-CA-C 107.891 -1.151 . . . . 71.400000000000006 107.891 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 16.4 p -91.27 -25.02 19.67 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.011 0.524 . . . . 64.150000000000006 111.309 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -117.96 155.12 30.8 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.042 0.937 . . . . 71.019999999999996 110.129 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.78 -44.69 86.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.604 1.161 . . . . 62.32 112.738 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 7.6 p-10 -57.77 -37.87 74.44 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.614 0.571 . . . . 73.150000000000006 111.388 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 49.9 mt-30 -62.98 -41.23 99.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.17 0.588 . . . . 64.219999999999999 110.471 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.21 68.08 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.672 0.789 . . . . 63.530000000000001 111.914 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.1 -34.48 43.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.454 0.702 . . . . 73.310000000000002 111.816 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.9 mm100 -78.82 -36.6 42.34 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.628 0.371 . . . . 72.209999999999994 111.46 -176.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HG21 ' A' ' 84' ' ' VAL . 23.0 pt -62.28 -27.24 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 111.725 0.269 . . . . 73.420000000000002 111.725 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.727 HD11 HD22 ' A' ' 19' ' ' LEU . 95.7 mt -51.69 -42.76 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.51 0.324 . . . . 74.439999999999998 111.59 171.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.81 -28.83 27.82 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.721 0.808 . . . . 71.239999999999995 111.645 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 15.7 t70 -61.08 -47.92 84.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.957 0.903 . . . . 74.519999999999996 111.366 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.6 mp -70.31 -20.55 63.0 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.98 -1.009 . . . . 75.439999999999998 110.82 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 28.1 mmmt . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 123.214 0.605 . . . . 65.019999999999996 110.601 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 20.7 ttpt . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 109.501 -0.555 . . . . 70.25 109.501 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 72' ' ' ILE . 46.8 pt -121.26 144.29 30.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 107.927 -1.138 . . . . 72.319999999999993 107.927 168.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.532 HG13 HG21 ' A' ' 23' ' ' ILE . 47.2 mm -113.13 106.91 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.919 -0.771 . . . . 72.430000000000007 108.919 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 69' ' ' ILE . 54.1 t -80.27 125.05 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 109.376 -0.601 . . . . 71.310000000000002 109.376 171.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.448 HD12 ' HB2' ' A' ' 20' ' ' ALA . 37.0 mt -116.26 131.21 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.001 -0.74 . . . . 61.520000000000003 109.001 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.663 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -96.24 92.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 105.906 -1.887 . . . . 74.230000000000004 105.906 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 t -100.49 123.12 44.29 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.521 -0.763 . . . . 62.310000000000002 110.343 -170.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -138.55 119.35 14.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.545 -1.28 . . . . 70.519999999999996 107.545 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 73.2 -79.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.137 1.375 . . . . 72.5 113.607 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.79 138.63 58.57 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 113.756 1.021 . . . . 75.530000000000001 113.756 -166.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.2 m -89.51 -14.82 34.39 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.27 -1.332 . . . . 75.239999999999995 111.973 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -29.64 69.75 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.973 -0.455 . . . . 72.239999999999995 111.704 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.13 -29.77 66.78 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.826 -0.435 . . . . 74.329999999999998 109.826 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 49' ' ' LEU . 33.0 mt-10 -76.53 -37.33 56.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.574 1.15 . . . . 72.319999999999993 109.708 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 35.5 mm-40 -62.99 -58.46 7.24 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 115.479 -0.782 . . . . 64.540000000000006 109.369 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.8 mt -54.0 -40.19 66.75 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.632 1.208 . . . . 63.240000000000002 110.797 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.44 -48.93 71.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.327 1.051 . . . . 53.100000000000001 112.046 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -68.59 -25.53 64.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.857 -1.065 . . . . 74.400000000000006 111.143 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 1.8 mptm? -83.82 -35.95 23.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.329 0.652 . . . . 64.120000000000005 111.718 177.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 6' ' ' ILE . 74.3 mt -56.92 -52.19 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 123.599 0.76 . . . . 73.540000000000006 110.638 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.7 ptpt -60.25 -22.4 63.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 124.176 0.922 . . . . 75.040000000000006 112.909 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.21 -23.93 65.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.329 0.652 . . . . 71.099999999999994 111.78 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.96 -1.54 9.95 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.361 0.664 . . . . 72.209999999999994 112.533 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 26.08 7.45 Favored Glycine 0 C--N 1.345 1.071 0 C-N-CA 122.968 0.318 . . . . 43.219999999999999 112.819 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -128.57 176.57 7.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.469 0.708 . . . . 75.019999999999996 110.545 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -107.0 153.0 23.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.709 0.403 . . . . 71.439999999999998 110.074 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 24' ' ' LYS . 88.7 t -119.37 127.5 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 123.69 0.796 . . . . 64.420000000000002 109.615 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -103.24 154.74 19.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.368 -1.345 . . . . 75.319999999999993 107.368 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 49' ' ' LEU . 31.9 mm -124.97 134.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 108.597 -0.89 . . . . 62.109999999999999 108.597 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD13 HG11 ' A' ' 59' ' ' VAL . 28.8 mt -104.68 113.21 26.65 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.642 -0.873 . . . . 53.020000000000003 108.642 164.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.683 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 122.34 39.8 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.848 -0.797 . . . . 40.210000000000001 108.848 -176.124 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.61 116.25 8.67 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 107.687 -1.227 . . . . 70.349999999999994 107.687 172.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' H ' HD12 ' A' ' 42' ' ' LEU . 31.7 t70 -134.05 162.76 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.419 0.687 . . . . 74.140000000000001 109.673 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HB2' ' HZ3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -69.57 -25.33 63.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.809 0.843 . . . . 73.549999999999997 111.685 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.39 112.77 23.56 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.948 0.899 . . . . 64.450000000000003 109.103 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -29.29 61.57 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.629 0.772 . . . . 73.310000000000002 111.353 168.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -56.07 -58.19 8.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 60.299999999999997 110.76 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.86 -30.5 62.69 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.342 -0.845 . . . . 73.340000000000003 111.09 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.3 tt -58.48 -50.64 73.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.249 1.02 . . . . 72.049999999999997 110.088 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.38 -47.04 82.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.46 1.104 . . . . 74.409999999999997 111.319 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.93 -45.32 93.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.599 -0.728 . . . . 64.010000000000005 110.078 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.33 -39.52 90.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.289 1.036 . . . . 70.310000000000002 111.849 -174.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 56' ' ' VAL . 43.6 mt -55.96 -49.58 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.867 0.73 . . . . 74.430000000000007 109.964 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.417 HE21 HG22 ' A' ' 46' ' ' ILE . 29.0 mm-40 -71.51 -26.44 62.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.156 0.582 . . . . 75.219999999999999 112.002 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 32.8 mmtp -72.52 -39.0 67.91 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.936 0.398 . . . . 71.140000000000001 109.985 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.1 mt -72.08 -39.19 69.15 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.446 -0.797 . . . . 71.129999999999995 111.041 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 47.0 mtpt -66.78 -32.53 73.88 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.452 0.301 . . . . 74.239999999999995 110.584 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -41.76 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 122.908 0.483 . . . . 75.099999999999994 110.991 169.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.2 mt-30 -72.31 -13.72 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.542 0.737 . . . . 74.430000000000007 111.492 174.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.71 52.81 1.75 Allowed Glycine 0 C--N 1.35 1.332 0 C-N-CA 123.304 0.478 . . . . 41.509999999999998 112.516 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -123.42 143.27 50.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.442 0.697 . . . . 70.329999999999998 110.318 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.42 87.62 7.47 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.531 -0.914 . . . . 74.329999999999998 108.531 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 46' ' ' ILE . 8.0 t -97.09 131.42 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.185 -0.916 . . . . 52.530000000000001 110.505 -171.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -133.12 141.14 48.0 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.866 1.266 . . . . 74.549999999999997 108.022 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -87.04 139.16 30.85 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.851 0.46 . . . . 75.140000000000001 109.921 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG11 HD13 ' A' ' 33' ' ' LEU . 9.8 m -137.91 177.81 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.328 1.051 . . . . 75.439999999999998 108.592 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -103.84 -78.34 0.56 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.289 0.636 . . . . 74.129999999999995 111.289 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -124.03 176.24 6.47 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.874 0.87 . . . . 64.230000000000004 108.748 -169.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.583 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 23.3 t70 -71.72 -15.25 62.19 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.934 0.397 . . . . 74.120000000000005 110.847 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.13 -48.53 76.05 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.386 0.675 . . . . 72.450000000000003 109.571 165.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.54 -42.81 58.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.28 1.032 . . . . 73.200000000000003 110.501 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HD2' ' A' ' 83' ' ' LYS . 94.3 mt -63.52 -55.37 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.861 0.865 . . . . 73.109999999999999 111.189 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 36.1 t70 -59.5 -34.45 72.62 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.049 0.54 . . . . 61.0 111.286 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -77.57 -31.73 53.33 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.137 1.375 . . . . 74.329999999999998 110.76 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.0 t90 -69.13 -43.15 74.97 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.413 1.085 . . . . 74.519999999999996 110.195 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 7' ' ' VAL . 2.0 mp -72.76 -38.72 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.146 0.578 . . . . 34.420000000000002 109.59 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.72 -43.43 76.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.1 0.96 . . . . 72.319999999999993 111.018 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -74.65 -34.65 62.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.029 -0.51 . . . . 73.109999999999999 111.276 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.7 mm -61.05 -38.32 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 118.317 0.508 . . . . 72.230000000000004 110.154 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -72.9 -27.78 62.09 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.753 0.649 . . . . 74.239999999999995 112.753 -177.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -89.16 -38.14 14.52 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 120.727 0.299 . . . . 74.430000000000007 110.664 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.45 -39.13 68.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.762 0.825 . . . . 70.129999999999995 109.808 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -122.33 79.49 45.08 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 124.274 1.03 . . . . 61.340000000000003 108.911 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.48 9.77 3.55 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.748 2.299 . . . . 70.040000000000006 112.809 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -75.88 -45.51 35.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.731 0.813 . . . . 74.310000000000002 109.56 174.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -110.45 137.7 47.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.416 0.686 . . . . 64.519999999999996 110.478 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.92 152.54 21.99 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.601 -0.888 . . . . 70.439999999999998 108.601 172.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' HB ' HG23 ' A' ' 69' ' ' ILE . 16.4 t -128.59 143.6 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.805 -0.443 . . . . 64.230000000000004 109.805 -174.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.402 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.4 tpt180 -126.54 131.65 51.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.062 0.945 . . . . 73.540000000000006 109.611 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.9 mtmt -84.05 138.06 33.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.854 0.861 . . . . 73.439999999999998 109.241 170.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 43.9 t -130.11 94.0 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.735 0.814 . . . . 71.349999999999994 109.443 176.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.663 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 66.7 p -81.8 -30.43 32.23 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 120.899 0.381 . . . . 72.340000000000003 112.011 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-20 -119.39 158.46 26.11 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.432 0.693 . . . . 73.439999999999998 111.105 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -50.21 -47.42 54.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.164 1.386 . . . . 75.439999999999998 111.597 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 37.1 t70 -63.06 -31.65 72.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.9 -0.591 . . . . 72.439999999999998 111.549 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.472 ' HB2' HG13 ' A' ' 84' ' ' VAL . 11.0 mm100 -67.62 -35.88 79.77 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.692 0.397 . . . . 52.329999999999998 110.636 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.99 -34.14 75.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.861 -0.609 . . . . 65.030000000000001 111.076 172.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 8.8 mtpm? -69.51 -40.71 76.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.149 0.579 . . . . 73.129999999999995 111.057 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.5 mm-40 -66.32 -47.02 74.89 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.573 0.546 . . . . 61.340000000000003 110.016 -176.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 40.4 pt -66.31 -28.62 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.655 0.613 . . . . 72.349999999999994 112.655 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 35.9 mt -57.54 -51.05 71.04 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 118.391 0.541 . . . . 74.420000000000002 109.683 170.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.15 -26.63 67.52 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.517 1.127 . . . . 74.239999999999995 111.574 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.5 t70 -80.89 -27.58 36.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.137 0.975 . . . . 74.129999999999995 111.019 -175.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.8 mp -80.51 -14.86 57.89 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.281 0.633 . . . . 72.140000000000001 110.073 174.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 26.2 mmmt . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 109.444 -0.576 . . . . 74.219999999999999 109.444 173.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.6 ttmm . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 106.384 -1.71 . . . . 43.43 106.384 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 81' ' ' VAL . 39.1 pt -134.19 148.82 29.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 CA-C-O 121.334 0.588 . . . . 73.25 109.502 169.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mm -116.35 126.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.014 -1.106 . . . . 74.030000000000001 108.014 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 31' ' ' TYR . 83.4 t -104.94 114.64 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.111 -1.07 . . . . 72.040000000000006 108.111 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.1 mt -104.8 120.65 55.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.908 -0.775 . . . . 64.219999999999999 108.908 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.59 91.35 3.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 106.507 -1.664 . . . . 73.010000000000005 106.507 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.679 ' HA ' HD13 ' A' ' 16' ' ' LEU . 8.7 t -87.96 111.96 22.05 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.903 -0.589 . . . . 71.230000000000004 110.896 -170.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -82.23 -145.06 0.06 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.949 1.3 . . . . 44.210000000000001 109.388 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.3 -25.11 54.49 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 123.151 0.581 . . . . 63.43 110.719 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.8 130.07 43.25 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.343 0.657 . . . . 70.340000000000003 111.407 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 13.4 t -89.53 -18.48 26.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.84 0.456 . . . . 55.219999999999999 111.943 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -57.33 -30.89 65.17 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.585 0.63 . . . . 74.299999999999997 111.51 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 10' ' ' SER . 11.5 mt -57.12 -55.62 32.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.662 1.185 . . . . 73.019999999999996 111.652 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.75 -24.08 56.06 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.405 1.082 . . . . 73.409999999999997 111.944 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 14' ' ' THR . 43.9 mt-10 -70.23 -50.92 34.88 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.967 0.507 . . . . 72.099999999999994 110.138 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 67.8 mt -64.35 -32.32 73.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.847 0.859 . . . . 63.409999999999997 111.395 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -37.41 7.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.135 1.374 . . . . 64.150000000000006 113.468 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -72.02 -42.3 66.52 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.109 -0.496 . . . . 53.100000000000001 111.35 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 11.4 mptt -58.65 -36.43 74.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.059 0.544 . . . . 74.200000000000003 110.677 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.35 -56.86 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 123.491 0.495 . . . . 74.519999999999996 110.613 173.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.5 ptpt -67.85 -19.3 65.03 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.523 0.935 . . . . 72.420000000000002 113.523 -172.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -65.73 -10.8 40.16 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 112.735 0.643 . . . . 75.129999999999995 112.735 172.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.28 -15.27 60.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.106 0.562 . . . . 63.530000000000001 111.388 170.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.44 25.65 4.87 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.371 -0.127 . . . . 53.43 113.31 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -127.58 175.85 7.94 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.449 0.7 . . . . 44.299999999999997 110.185 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -100.45 152.01 20.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.728 0.411 . . . . 65.219999999999999 111.015 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 24' ' ' LYS . 95.9 t -120.49 125.83 74.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.061 0.944 . . . . 71.420000000000002 109.581 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 14.7 m-85 -104.74 126.91 52.29 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 107.274 -1.38 . . . . 73.319999999999993 107.274 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.3 mm -101.82 128.37 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.119 -0.697 . . . . 53.420000000000002 109.119 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 HG23 ' A' ' 65' ' ' ILE . 37.5 mt -100.23 107.4 19.22 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.238 -0.653 . . . . 71.420000000000002 109.238 169.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -86.77 128.19 35.02 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.104 -0.953 . . . . 55.340000000000003 109.205 -174.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -130.62 121.32 25.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.763 0.825 . . . . 62.340000000000003 109.415 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.609 ' H ' HD12 ' A' ' 42' ' ' LEU . 23.1 t70 -135.27 165.41 25.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.152 0.981 . . . . 73.120000000000005 108.885 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.548 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -70.91 -20.54 62.47 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.065 0.546 . . . . 63.32 110.979 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.4 122.15 32.83 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.085 0.954 . . . . 51.299999999999997 108.84 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.74 -31.56 62.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.847 1.259 . . . . 72.450000000000003 113.975 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 10.5 mmpt? -80.92 -36.67 30.79 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 117.723 0.238 . . . . 72.019999999999996 110.641 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -65.58 -41.2 93.13 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.514 0.673 . . . . 62.520000000000003 110.05 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.2 tt -52.62 -45.62 66.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.551 1.54 . . . . 74.25 110.478 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.52 -31.93 65.73 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.518 1.127 . . . . 74.219999999999999 112.519 -172.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 52.9 mt-10 -64.28 -41.65 96.79 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.189 0.519 . . . . 74.439999999999998 109.822 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.77 -32.86 73.73 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.053 -0.976 . . . . 71.530000000000001 111.052 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.521 HG23 ' HB ' ' A' ' 56' ' ' VAL . 37.9 mt -58.73 -42.02 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 N-CA-C 109.531 -0.544 . . . . 53.210000000000001 109.531 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.74 -38.66 87.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.011 0.524 . . . . 65.519999999999996 111.145 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 10.8 mmpt? -60.03 -46.39 89.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.433 0.693 . . . . 72.530000000000001 111.556 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' A' ' 56' ' ' VAL . 81.4 mt -79.67 -31.74 41.43 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.292 -0.867 . . . . 61.130000000000003 111.793 -174.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -65.91 -38.08 87.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.925 0.49 . . . . 64.109999999999999 110.644 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -61.26 -33.33 73.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.351 0.66 . . . . 64.25 111.299 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.59 ' NE2' HD23 ' A' ' 49' ' ' LEU . 50.6 mt-30 -79.97 -11.26 59.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.885 0.874 . . . . 72.319999999999993 111.902 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.01 27.16 10.48 Favored Glycine 0 C--N 1.348 1.23 0 N-CA-C 113.896 0.318 . . . . 75.129999999999995 113.896 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -100.23 138.51 37.19 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.995 -0.743 . . . . 52.130000000000003 108.995 175.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -81.55 90.73 6.28 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.31 -0.626 . . . . 70.030000000000001 109.31 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.705 HG21 ' HB2' ' A' ' 49' ' ' LEU . 10.2 t -97.81 134.26 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.673 -0.694 . . . . 74.439999999999998 109.711 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.67 155.5 44.92 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.443 0.697 . . . . 75.310000000000002 110.502 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 42' ' ' LEU . 10.0 tmtt? -93.06 132.54 37.07 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.456 -1.247 . . . . 74.209999999999994 108.177 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 m -123.38 150.04 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.037 0.935 . . . . 74.010000000000005 109.499 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -78.52 -32.89 48.28 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.592 0.357 . . . . 74.299999999999997 110.601 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -170.6 -172.98 1.31 Allowed 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.822 0.701 . . . . 72.329999999999998 110.631 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.98 -35.8 66.96 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.377 1.071 . . . . 75.439999999999998 112.43 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.1 -32.67 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.296 0.638 . . . . 74.540000000000006 111.262 171.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.79 -35.37 64.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.733 0.813 . . . . 73.319999999999993 111.086 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 HD12 ' A' ' 33' ' ' LEU . 70.7 mt -58.88 -45.61 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 124.05 0.844 . . . . 73.120000000000005 112.492 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.18 -45.5 87.4 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.047 0.385 . . . . 64.019999999999996 111.012 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -61.76 -34.01 75.1 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.381 -0.827 . . . . 60.299999999999997 111.58 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 29.2 t90 -67.33 -45.26 76.96 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.547 0.739 . . . . 71.540000000000006 110.445 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.479 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -69.12 -40.46 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 122.505 0.322 . . . . 73.439999999999998 110.17 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.08 -40.19 94.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.448 0.699 . . . . 74.239999999999995 111.528 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.9 ptpt -72.32 -31.98 66.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 119.124 -0.465 . . . . 72.540000000000006 111.336 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 68' ' ' TRP . 34.2 mm -68.42 -39.53 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.612 0.365 . . . . 74.099999999999994 110.774 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.79 -27.81 67.88 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.429 -0.351 . . . . 62.32 110.942 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.3 ttmp? -83.88 -38.72 20.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.806 0.842 . . . . 62.43 111.549 -176.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 22.1 mm-40 -78.57 -38.6 39.79 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.1 0.56 . . . . 73.340000000000003 109.897 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.597 ' HE ' HD21 ' A' ' 79' ' ' LEU . 66.8 mtp85 -123.08 83.95 51.07 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.457 1.103 . . . . 64.430000000000007 108.776 -176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.78 4.05 6.77 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.986 2.457 . . . . 73.310000000000002 113.725 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -101.26 20.21 16.22 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.198 0.599 . . . . 64.209999999999994 111.018 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.597 HD21 ' HE ' ' A' ' 76' ' ' ARG . 2.7 pp -142.45 157.74 44.44 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.159 0.584 . . . . 73.219999999999999 111.66 170.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HG3' ' A' ' 4' ' ' LYS . 2.5 pm0 -102.65 148.48 25.52 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.804 1.242 . . . . 73.219999999999999 109.059 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 5' ' ' ILE . 39.4 t -124.46 128.5 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.166 0.586 . . . . 74.439999999999998 110.723 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -111.94 139.28 47.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.431 1.092 . . . . 70.329999999999998 109.109 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.479 ' HG2' HG12 ' A' ' 69' ' ' ILE . 41.5 mtmt -98.89 131.13 45.22 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.698 -0.852 . . . . 73.129999999999995 108.698 172.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 93' ' ' ILE . 75.1 t -122.69 101.75 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.15 0.98 . . . . 64.439999999999998 109.957 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.9 p -85.83 -54.93 4.22 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.333 0.253 . . . . 71.420000000000002 110.368 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.54 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 12.1 m-20 -87.32 151.65 22.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.485 0.714 . . . . 62.43 110.219 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -64.48 -28.45 69.67 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.905 0.482 . . . . 74.430000000000007 110.089 171.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -57.07 -38.16 72.91 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.251 1.42 . . . . 73.450000000000003 111.26 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 13.0 mm100 -74.33 -31.34 62.41 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.472 -0.785 . . . . 60.240000000000002 110.742 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.47 66.81 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.155 0.582 . . . . 73.150000000000006 111.582 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 29.4 mtpp -75.74 -32.48 60.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.498 0.719 . . . . 70.129999999999995 110.208 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.69 -52.19 27.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.937 0.895 . . . . 73.349999999999994 111.277 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.586 HD13 HG21 ' A' ' 84' ' ' VAL . 30.0 pt -60.3 -25.81 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 112.841 0.682 . . . . 63.43 112.841 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 82.1 mt -53.88 -42.74 68.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.31 0.244 . . . . 71.129999999999995 110.827 170.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.46 -24.88 27.22 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.939 0.895 . . . . 74.319999999999993 112.144 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -77.72 -30.94 51.97 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.432 0.693 . . . . 64.109999999999999 111.297 -170.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.28 -18.72 60.0 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.833 0.453 . . . . 75.25 110.194 171.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.2 mmmt . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 122.676 0.391 . . . . 63.240000000000002 110.685 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.562 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 12.8 ttmm . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.86 -0.422 . . . . 65.409999999999997 109.86 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 72' ' ' ILE . 45.4 pt -136.32 146.61 28.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.646 -1.242 . . . . 71.239999999999995 107.646 163.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 mm -115.12 138.56 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.682 -1.229 . . . . 72.200000000000003 107.682 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 91.9 t -117.57 116.26 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.299 -1.371 . . . . 72.530000000000001 107.299 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 20' ' ' ALA . 44.2 mt -107.53 127.42 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.259 -0.645 . . . . 52.119999999999997 109.259 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -92.46 93.49 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 106.124 -1.806 . . . . 61.450000000000003 106.124 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -88.55 104.74 17.11 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.89 -1.05 . . . . 52.009999999999998 110.098 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.474 ' OG ' ' HD3' ' A' ' 35' ' ' LYS . 13.6 m -125.45 106.46 9.81 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.364 -0.835 . . . . 55.520000000000003 109.076 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 74.17 -68.76 0.21 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.34 1.456 . . . . 71.230000000000004 111.653 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.73 149.62 39.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.14 0.976 . . . . 53.450000000000003 112.942 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -103.54 -23.68 13.48 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 124.839 1.256 . . . . 74.409999999999997 112.228 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -62.56 -26.6 68.66 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.3 0.64 . . . . 73.450000000000003 111.5 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.12 -45.32 87.48 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.279 1.032 . . . . 64.299999999999997 110.694 173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -79.34 -29.2 42.17 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.392 -1.276 . . . . 75.120000000000005 110.206 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.42 -49.47 71.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.558 1.143 . . . . 72.239999999999995 109.026 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 HD11 ' A' ' 94' ' ' LEU . 94.1 mt -67.19 -29.44 69.12 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.654 -1.157 . . . . 72.010000000000005 111.421 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.04 -37.44 61.57 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.92 0.888 . . . . 53.109999999999999 112.54 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.9 -38.18 89.92 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.177 0.991 . . . . 73.530000000000001 111.254 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -40.0 63.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.789 0.835 . . . . 74.25 110.493 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.78 -57.26 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 122.841 0.456 . . . . 71.129999999999995 110.259 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.8 ptpt -65.82 -18.67 65.49 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.041 0.756 . . . . 75.510000000000005 113.041 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.65 -22.36 45.25 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 74.310000000000002 112.175 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 97' ' ' LEU . 30.5 mm-40 -69.97 -23.09 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.264 0.626 . . . . 73.439999999999998 112.388 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.68 37.78 0.88 Allowed Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.441 -0.345 . . . . 21.34 112.64 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.47 177.24 7.13 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.466 0.706 . . . . 55.25 110.235 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -101.81 150.84 22.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.459 0.704 . . . . 74.299999999999997 110.421 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 24' ' ' LYS . 85.8 t -121.95 132.15 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.558 0.743 . . . . 71.340000000000003 109.939 173.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 73.2 m-85 -107.3 114.2 28.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.527 1.131 . . . . 72.349999999999994 108.526 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 HD13 ' A' ' 49' ' ' LEU . 44.4 mm -92.62 121.55 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.752 -0.832 . . . . 74.109999999999999 108.752 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 HG11 ' A' ' 59' ' ' VAL . 54.6 mt -101.12 103.16 14.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.474 -0.936 . . . . 73.200000000000003 108.474 175.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.25 118.66 28.0 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 106.593 -1.632 . . . . 64.310000000000002 106.593 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.626 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 8.6 mtpm? -101.09 113.43 26.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.761 -0.829 . . . . 62.039999999999999 108.761 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -140.55 162.26 35.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.201 0.6 . . . . 74.420000000000002 109.541 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -102.04 -6.52 23.27 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.319 0.648 . . . . 74.340000000000003 111.525 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.39 178.69 4.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.803 0.841 . . . . 65.049999999999997 109.853 -173.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.17 6.81 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.796 0.438 . . . . 74.140000000000001 111.802 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.11 -59.61 2.91 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.866 0.466 . . . . 71.140000000000001 111.497 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -67.48 -42.53 82.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.143 0.977 . . . . 63.109999999999999 110.707 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -49.9 -58.3 5.71 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.256 0.973 . . . . 72.430000000000007 112.073 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 43.2 tt0 -66.45 -32.65 74.15 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.674 0.609 . . . . 71.430000000000007 111.012 -172.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 38.6 mm-40 -61.47 -57.01 13.87 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.207 -0.664 . . . . 75.349999999999994 109.207 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -54.4 -45.78 72.99 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.534 1.146 . . . . 73.310000000000002 111.995 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 56' ' ' VAL . 51.0 mt -54.74 -50.61 59.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 O-C-N 124.2 0.938 . . . . 72.400000000000006 110.501 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.1 mm100 -68.26 -29.5 68.31 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.343 0.497 . . . . 74.510000000000005 112.343 -176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 68.8 mmtt -66.54 -42.51 87.05 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.451 0.643 . . . . 73.319999999999993 109.868 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.63 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.0 mt -72.71 -39.5 66.92 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.977 -1.01 . . . . 74.349999999999994 111.421 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.53 -32.62 74.09 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.851 0.46 . . . . 71.219999999999999 110.918 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 t -59.48 -35.67 74.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.518 0.727 . . . . 51.439999999999998 111.24 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.98 -14.53 60.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.553 0.741 . . . . 74.120000000000005 111.456 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.68 1.55 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 112.021 -0.431 . . . . 63.229999999999997 112.021 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.3 141.24 52.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.783 0.833 . . . . 72.430000000000007 109.982 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -80.97 85.52 6.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.327 0.651 . . . . 64.230000000000004 109.285 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG21 ' HB2' ' A' ' 49' ' ' LEU . 13.6 t -95.84 134.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.173 0.589 . . . . 73.349999999999994 110.246 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.493 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 85.0 mmt-85 -130.99 166.46 20.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.958 0.903 . . . . 62.039999999999999 110.527 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -99.1 127.57 45.08 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.391 -1.277 . . . . 63.039999999999999 108.39 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 33' ' ' LEU . 13.0 m -128.61 157.42 41.21 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 C-N-CA 123.907 0.883 . . . . 52.329999999999998 108.738 171.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -82.06 -70.82 0.52 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.194 -0.669 . . . . 72.219999999999999 109.194 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.626 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 4.1 t70 -142.19 -174.35 4.08 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.588 -0.733 . . . . 72.329999999999998 109.912 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HA ' HD12 ' A' ' 65' ' ' ILE . 35.0 t70 -72.37 -21.22 61.33 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.765 0.426 . . . . 75.239999999999995 111.735 -169.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.98 -45.39 90.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.487 0.715 . . . . 73.120000000000005 110.533 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.55 -35.28 75.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.397 1.079 . . . . 71.109999999999999 110.819 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG22 ' HD2' ' A' ' 83' ' ' LYS . 84.5 mt -63.99 -41.73 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 114.634 -1.166 . . . . 71.319999999999993 111.443 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.66 -40.66 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 117.941 0.337 . . . . 64.129999999999995 111.221 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -69.76 -34.92 74.44 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.965 0.791 . . . . 71.450000000000003 110.709 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 50.2 t90 -69.56 -33.63 73.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.221 -0.9 . . . . 75.109999999999999 110.56 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -78.97 -37.53 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.403 0.681 . . . . 73.150000000000006 109.817 173.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.76 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 32.9 t70 -59.7 -41.51 90.93 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.971 -1.013 . . . . 63.140000000000001 111.539 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.68 -40.83 98.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.68 -0.691 . . . . 73.400000000000006 111.051 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 5' ' ' ILE . 60.0 mt -67.11 -32.08 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.088 0.555 . . . . 71.319999999999993 110.512 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 46.9 mtmt -60.04 -38.28 82.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.256 174.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.59 -48.41 12.73 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.184 0.594 . . . . 73.329999999999998 110.956 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -66.0 -44.61 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.259 -0.882 . . . . 54.520000000000003 111.054 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -125.7 71.63 67.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 114.902 -1.044 . . . . 72.510000000000005 109.17 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.0 17.41 1.55 Allowed 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.826 2.351 . . . . 52.520000000000003 112.869 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -103.39 0.72 31.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.297 1.039 . . . . 52.149999999999999 111.198 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.77 169.96 15.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.234 0.613 . . . . 62.329999999999998 111.259 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.562 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 6.1 pt-20 -114.9 137.42 51.99 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.342 1.057 . . . . 74.420000000000002 108.859 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -120.69 130.33 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.529 0.732 . . . . 63.310000000000002 109.378 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -127.03 125.44 41.41 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.056 0.542 . . . . 60.399999999999999 110.634 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 65' ' ' ILE . 37.1 mtmt -76.58 132.26 39.38 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.508 0.723 . . . . 74.420000000000002 110.235 171.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 89' ' ' GLN . 66.6 t -123.65 91.58 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.047 -1.094 . . . . 61.439999999999998 108.047 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.715 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 55.5 p -82.17 -41.18 20.71 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.356 0.598 . . . . 65.310000000000002 110.219 -178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.46 156.83 18.54 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.282 -0.872 . . . . 72.129999999999995 110.449 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.25 -39.38 86.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.447 1.099 . . . . 71.109999999999999 111.687 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.42 -30.12 66.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.944 0.898 . . . . 74.310000000000002 111.471 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.575 ' HB2' HG13 ' A' ' 84' ' ' VAL . 9.7 mm100 -71.98 -39.59 69.2 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.310000000000002 110.276 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.69 -37.18 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.518 0.727 . . . . 34.109999999999999 111.396 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 94' ' ' LEU . 56.1 mtpt -75.04 -29.53 60.79 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.65 0.78 . . . . 72.230000000000004 110.278 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.55 -46.48 54.25 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.349 0.659 . . . . 71.530000000000001 110.958 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 97' ' ' LEU . 32.1 pt -66.17 -23.79 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 116.417 -0.356 . . . . 53.020000000000003 111.525 176.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD22 ' A' ' 19' ' ' LEU . 86.7 mt -64.55 -44.93 89.22 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 117.852 0.296 . . . . 74.239999999999995 110.333 168.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -63.89 -30.06 71.18 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.746 0.418 . . . . 74.420000000000002 111.146 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 35.8 t70 -82.05 -32.54 30.35 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.502 -0.772 . . . . 73.120000000000005 111.145 -173.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 93' ' ' ILE . 5.8 mp -75.34 -29.33 59.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.348 0.659 . . . . 52.509999999999998 110.703 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 C-N-CA 122.714 0.406 . . . . 74.430000000000007 111.651 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 38.1 ttmt . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 108.547 -0.908 . . . . 74.319999999999993 108.547 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD13 ' A' ' 79' ' ' LEU . 40.2 pt -98.86 143.09 13.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.549 -0.908 . . . . 74.0 108.549 167.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 93' ' ' ILE . 34.9 mm -113.72 136.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.944 -1.502 . . . . 61.539999999999999 106.944 169.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 69' ' ' ILE . 49.4 t -111.11 104.71 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.344 -1.354 . . . . 73.209999999999994 107.344 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 20' ' ' ALA . 46.6 mt -104.85 125.27 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.201 -0.666 . . . . 71.400000000000006 109.201 -172.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 65' ' ' ILE . 3.0 mp -94.87 93.14 3.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 106.511 -1.663 . . . . 74.329999999999998 106.511 -176.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -86.14 103.76 15.09 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.089 -1.078 . . . . 65.109999999999999 108.089 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 15.4 p -131.65 123.44 27.81 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.768 -1.105 . . . . 71.019999999999996 108.846 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 77.17 -54.66 0.55 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.802 1.641 . . . . 50.439999999999998 112.836 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.88 157.48 17.73 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.994 0.917 . . . . 70.439999999999998 111.214 -173.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -107.13 -13.42 15.17 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.992 1.317 . . . . 54.149999999999999 112.945 -169.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -60.17 -30.95 69.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.851 -0.531 . . . . 74.109999999999999 111.021 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 16' ' ' LEU . 6.1 mp -61.67 -38.98 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.718 0.807 . . . . 71.010000000000005 110.665 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -69.33 -39.41 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.401 1.08 . . . . 73.219999999999999 110.331 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -68.47 -39.03 81.54 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.764 0.826 . . . . 72.019999999999996 111.316 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD22 HD11 ' A' ' 94' ' ' LEU . 96.2 mt -70.6 -38.53 73.99 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.489 0.716 . . . . 74.040000000000006 110.271 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -51.47 -38.15 52.45 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.497 1.119 . . . . 53.530000000000001 112.47 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.74 -33.51 75.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.328 1.051 . . . . 72.040000000000006 111.125 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -75.99 -36.3 59.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.335 0.654 . . . . 72.530000000000001 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 HD21 ' A' ' 97' ' ' LEU . 2.0 mp -63.9 -55.04 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 122.774 0.43 . . . . 64.319999999999993 110.674 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -68.6 -18.87 64.41 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.197 0.443 . . . . 63.439999999999998 112.197 -176.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.93 -24.79 64.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.872 0.869 . . . . 73.340000000000003 111.711 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 75.1 mm-40 -69.91 1.28 4.63 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.802 0.841 . . . . 75.340000000000003 112.953 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.48 7.38 55.86 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.212 -0.755 . . . . 54.229999999999997 111.212 -172.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 8.9 mt -94.12 175.48 6.69 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.919 0.887 . . . . 74.140000000000001 109.682 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -122.73 153.08 39.94 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.984 -0.447 . . . . 74.310000000000002 110.276 161.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 24' ' ' LYS . 94.5 t -115.93 139.75 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.639 1.176 . . . . 65.549999999999997 109.19 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 91.5 m-85 -107.68 112.35 25.0 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 107.315 -1.365 . . . . 63.530000000000001 107.315 171.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.1 mm -87.23 121.68 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 108.515 -0.92 . . . . 62.520000000000003 108.515 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD13 HG11 ' A' ' 59' ' ' VAL . 35.3 mt -96.18 101.97 13.69 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.575 -0.898 . . . . 75.239999999999995 108.575 171.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.13 121.04 29.04 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.199 -1.364 . . . . 62.210000000000001 108.433 -173.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 65' ' ' ILE . 15.8 ptpt -127.91 119.6 25.9 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.733 0.813 . . . . 64.019999999999996 108.819 176.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 42' ' ' LEU . 7.2 t70 -135.77 166.41 23.34 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 107.574 -1.269 . . . . 70.030000000000001 107.574 176.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -84.22 -9.5 58.47 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.07 0.548 . . . . 74.409999999999997 111.245 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -129.03 108.02 10.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.594 1.158 . . . . 70.319999999999993 109.678 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.1 -27.8 64.02 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.343 1.238 . . . . 74.019999999999996 114.343 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.86 -59.81 4.07 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.723 -0.473 . . . . 71.409999999999997 109.723 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -76.07 -23.74 55.04 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.307 -0.406 . . . . 73.349999999999994 110.959 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 34' ' ' LEU . 6.7 tt -53.91 -56.27 19.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.83 0.852 . . . . 71.310000000000002 109.446 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.87 -18.54 53.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.947 -1.024 . . . . 74.400000000000006 111.354 -173.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.79 -47.29 84.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.659 -0.867 . . . . 75.209999999999994 108.659 167.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.39 -31.95 72.53 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 123.97 0.794 . . . . 74.120000000000005 111.027 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' HB ' ' A' ' 56' ' ' VAL . 35.9 mt -57.56 -48.23 83.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 109.919 -0.401 . . . . 60.43 109.919 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.431 HE21 HG22 ' A' ' 46' ' ' ILE . 29.7 mm-40 -71.05 -32.24 68.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.752 -0.658 . . . . 73.129999999999995 111.474 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 10.9 mmpt? -63.73 -53.78 45.66 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.274 0.359 . . . . 75.549999999999997 110.508 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.546 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.0 mt -62.14 -38.93 90.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.986 0.915 . . . . 64.310000000000002 111.808 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -68.37 -30.74 69.75 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 122.497 -0.127 . . . . 75.310000000000002 111.136 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -70.06 -32.54 70.69 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.863 0.465 . . . . 75.299999999999997 111.091 172.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -72.89 -17.58 61.5 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.0 0.92 . . . . 74.540000000000006 111.015 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 66.31 0.76 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 111.247 -0.741 . . . . 63.229999999999997 111.247 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -141.19 167.59 21.82 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.329 1.052 . . . . 73.140000000000001 108.505 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -109.3 121.26 44.78 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.07 -1.826 . . . . 63.530000000000001 106.07 164.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.553 ' HB ' HG23 ' A' ' 46' ' ' ILE . 19.9 t -126.47 143.84 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.91 -0.404 . . . . 74.439999999999998 109.91 -173.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.42 144.56 44.55 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.307 0.643 . . . . 73.420000000000002 109.73 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -79.39 129.0 34.05 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.457 -0.942 . . . . 72.040000000000006 108.457 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 HD13 ' A' ' 33' ' ' LEU . 8.3 m -125.52 157.27 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.612 0.765 . . . . 75.340000000000003 110.374 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.49 -73.5 0.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.038 -0.983 . . . . 72.120000000000005 110.225 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.77 163.51 12.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.897 -0.779 . . . . 74.200000000000003 108.897 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.44 -35.39 70.9 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.852 0.461 . . . . 71.340000000000003 110.998 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.13 -40.89 62.01 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.076 0.95 . . . . 73.049999999999997 111.45 165.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.42 -36.85 71.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.963 0.905 . . . . 61.140000000000001 110.249 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 ' HE3' ' A' ' 35' ' ' LYS . 63.4 mt -61.77 -51.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.896 0.878 . . . . 71.340000000000003 111.189 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.99 -36.08 83.24 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.195 0.598 . . . . 61.450000000000003 110.63 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -30.54 67.95 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.758 -1.11 . . . . 72.120000000000005 110.185 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' CZ3' HD11 ' A' ' 72' ' ' ILE . 5.7 t90 -65.34 -31.48 72.63 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.923 0.889 . . . . 75.319999999999993 110.657 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -83.23 -34.65 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.082 0.553 . . . . 54.229999999999997 109.623 176.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.698 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 31.5 t70 -57.0 -42.22 79.89 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.792 -0.64 . . . . 71.430000000000007 110.897 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -74.37 -27.46 60.67 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.574 -0.727 . . . . 55.340000000000003 111.81 177.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' A' ' 68' ' ' TRP . 75.2 mt -59.94 -40.24 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 118.451 0.569 . . . . 75.299999999999997 109.722 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 50.7 mtmt -64.69 -17.26 63.93 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 111.502 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -92.23 -45.67 8.12 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.499 0.719 . . . . 73.010000000000005 111.464 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 21.2 mm-40 -73.37 -52.5 13.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.513 0.725 . . . . 65.400000000000006 111.502 -171.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -140.75 76.83 22.94 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.232 1.013 . . . . 64.109999999999999 110.375 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -91.85 15.18 1.68 Allowed 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.593 2.195 . . . . 74.349999999999994 113.907 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -92.28 12.5 22.24 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.999 0.519 . . . . 72.430000000000007 111.409 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -140.11 155.94 46.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.769 1.228 . . . . 75.200000000000003 109.662 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -78.31 145.38 35.38 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.829 0.452 . . . . 74.140000000000001 110.415 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -128.85 122.15 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.337 0.655 . . . . 75.040000000000006 109.766 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -127.26 137.92 52.97 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.787 0.835 . . . . 73.439999999999998 109.108 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -99.01 133.98 42.51 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.549 -0.537 . . . . 74.340000000000003 109.549 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 93' ' ' ILE . 46.2 t -125.29 96.01 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.475 1.11 . . . . 71.129999999999995 109.832 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.6 p -85.71 -37.56 19.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.185 0.594 . . . . 74.219999999999999 110.833 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.426 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 4.7 m-20 -97.17 151.8 19.45 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 61.329999999999998 110.687 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 20.3 tt0 -59.88 -39.43 85.27 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.912 0.758 . . . . 74.310000000000002 110.642 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -54.78 -34.39 62.6 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.663 1.185 . . . . 63.140000000000001 111.64 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 84' ' ' VAL . 82.0 mt-30 -76.74 -30.61 56.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.159 -0.928 . . . . 72.439999999999998 110.33 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -72.76 -25.49 61.2 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.499 0.72 . . . . 32.030000000000001 111.685 173.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 20.5 mtpp -78.99 -34.43 44.13 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.582 0.753 . . . . 70.219999999999999 109.816 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -72.48 -39.89 67.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.72 0.808 . . . . 73.319999999999993 111.294 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 84' ' ' VAL . 20.0 pt -64.47 -28.41 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 112.589 0.588 . . . . 63.25 112.589 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 19' ' ' LEU . 81.1 mt -52.64 -33.03 44.95 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.65 0.38 . . . . 74.340000000000003 110.962 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.95 -52.22 7.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.274 0.63 . . . . 71.340000000000003 110.939 172.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t70 -41.9 -45.34 3.69 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 125.657 1.583 . . . . 71.439999999999998 114.177 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.522 HD21 HG23 ' A' ' 23' ' ' ILE . 5.6 mp -55.88 -37.46 68.87 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.652 1.181 . . . . 74.239999999999995 111.61 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp . . . . . 0 N--CA 1.479 1.011 0 CA-C-N 114.206 -1.361 . . . . 63.009999999999998 110.595 -176.692 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.702 0.287 . . . . 75.450000000000003 110.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.558 HG23 HD22 ' A' ' 79' ' ' LEU . 39.0 pt -136.52 156.95 36.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 125.066 1.346 . . . . 74.129999999999995 107.574 167.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.547 HG21 HD12 ' A' ' 93' ' ' ILE . 50.0 mm -120.6 137.36 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.039 -0.726 . . . . 74.25 109.039 176.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 69' ' ' ILE . 60.2 t -115.95 114.8 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.143 -1.058 . . . . 61.030000000000001 108.143 176.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.581 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 37.6 mt -110.57 120.24 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 72.450000000000003 110.869 -171.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.06 95.81 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 106.761 -1.57 . . . . 74.150000000000006 106.761 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.414 ' HB3' HD22 ' A' ' 34' ' ' LEU . 45.4 t -89.71 107.6 19.19 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.356 0.662 . . . . 64.420000000000002 110.824 -171.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 p -140.71 150.82 43.94 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.445 1.098 . . . . 74.329999999999998 109.428 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 67.62 -76.3 0.05 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.784 1.633 . . . . 73.349999999999994 111.839 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -83.76 132.03 34.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.033 0.533 . . . . 43.409999999999997 110.717 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -76.94 -11.53 59.82 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.93 -0.577 . . . . 70.099999999999994 109.896 169.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 m -52.12 -35.09 47.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.697 1.199 . . . . 65.0 112.371 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.01 -35.79 80.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.017 0.527 . . . . 73.150000000000006 110.68 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' HD21 ' A' ' 49' ' ' LEU . 40.5 mt-10 -68.6 -39.71 80.75 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.909 0.884 . . . . 54.210000000000001 110.028 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.14 -50.74 37.49 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.409 -0.814 . . . . 64.230000000000004 110.955 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -56.61 -39.74 74.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.336 1.054 . . . . 72.439999999999998 110.861 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.6 -32.87 8.81 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.292 1.437 . . . . 73.010000000000005 113.202 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -63.49 -49.54 73.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.091 0.956 . . . . 74.230000000000004 111.0 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 70.0 mmtt -70.21 -25.87 63.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.27 0.47 . . . . 63.509999999999998 112.27 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 97' ' ' LEU . 2.1 mp -62.5 -61.92 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.212 -0.662 . . . . 75.120000000000005 109.212 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.4 ptpt -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.134 0.79 . . . . 65.140000000000001 113.134 -173.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.33 -25.87 50.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.372 1.069 . . . . 72.049999999999997 111.653 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -68.96 -18.69 64.11 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.287 0.635 . . . . 72.109999999999999 112.181 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -16.1 6.78 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 122.928 0.299 . . . . 71.510000000000005 113.288 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -82.41 166.47 19.37 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.713 0.805 . . . . 74.209999999999994 111.237 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -97.73 148.89 22.89 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.975 0.91 . . . . 74.0 110.192 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 86.0 t -121.16 132.04 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.055 0.942 . . . . 73.239999999999995 110.097 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -104.67 129.45 52.84 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.772 -1.566 . . . . 72.299999999999997 106.772 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HB ' HG22 ' A' ' 56' ' ' VAL . 30.0 mm -108.8 116.62 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 118.765 0.711 . . . . 74.230000000000004 109.503 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HG11 ' A' ' 59' ' ' VAL . 39.0 mt -89.08 105.49 17.82 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.035 -0.728 . . . . 75.349999999999994 109.035 172.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -90.79 126.58 36.06 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.802 -1.09 . . . . 75.310000000000002 108.923 -174.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -131.56 120.13 22.47 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.75 0.82 . . . . 75.409999999999997 109.253 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' H ' HD12 ' A' ' 42' ' ' LEU . 16.3 t70 -134.28 157.38 46.47 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.226 -1.027 . . . . 74.420000000000002 108.226 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -82.81 -4.99 58.74 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.692 0.397 . . . . 64.120000000000005 111.607 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.07 109.56 12.53 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.421 -1.326 . . . . 54.329999999999998 107.421 169.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.53 -26.51 21.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.834 1.254 . . . . 74.409999999999997 114.283 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -41.38 34.24 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.703 0.401 . . . . 65.219999999999999 109.973 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -68.75 -32.47 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.221 -0.659 . . . . 71.209999999999994 109.221 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 36' ' ' ASP . 5.7 tt -60.08 -51.53 69.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.584 1.154 . . . . 73.030000000000001 109.329 168.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.79 -42.55 99.15 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.226 1.011 . . . . 72.510000000000005 111.96 -170.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 9.3 pt-20 -72.8 -38.76 67.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.884 -0.598 . . . . 63.310000000000002 110.0 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -56.53 -40.11 74.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.011 0.924 . . . . 70.439999999999998 110.817 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.515 HG23 ' HB ' ' A' ' 56' ' ' VAL . 78.4 mt -51.49 -52.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.219 0.95 . . . . 73.0 109.661 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -68.87 -27.01 65.42 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.631 0.772 . . . . 72.040000000000006 112.104 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 31.5 mmtp -66.12 -49.86 66.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.196 -0.668 . . . . 73.109999999999999 109.196 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB2' HG21 ' A' ' 56' ' ' VAL . 82.5 mt -70.25 -37.72 74.98 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.578 -1.192 . . . . 30.420000000000002 111.697 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 46.9 mtpt -71.02 -28.68 64.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.531 0.333 . . . . 74.209999999999994 111.158 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -63.55 -37.36 87.02 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.88 0.472 . . . . 71.230000000000004 110.724 171.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -76.29 -23.14 54.37 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.705 -0.68 . . . . 62.450000000000003 110.876 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 84.36 1.79 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.93 -0.868 . . . . 63.009999999999998 110.93 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 69.3 m-85 -150.44 139.56 21.13 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 125.054 1.342 . . . . 71.209999999999994 107.501 172.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -81.61 74.74 8.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.835 0.826 . . . . 73.099999999999994 110.636 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -87.54 130.76 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.221 -0.9 . . . . 63.420000000000002 110.472 -174.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 39.8 mmt180 -126.24 151.92 46.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.489 1.116 . . . . 63.130000000000003 109.825 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.41 126.0 36.35 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.66 0.784 . . . . 75.219999999999999 109.485 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG11 HD13 ' A' ' 33' ' ' LEU . 12.0 m -116.63 177.82 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.826 0.85 . . . . 64.040000000000006 109.817 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.32 -69.47 0.72 Allowed 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.152 0.981 . . . . 65.310000000000002 109.102 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -166.94 -169.83 1.4 Allowed 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.919 -0.771 . . . . 71.310000000000002 108.919 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.56 -23.98 59.71 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 113.339 0.866 . . . . 72.319999999999993 113.339 -166.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.08 -60.4 3.48 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.421 1.076 . . . . 63.140000000000001 110.975 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -24.83 58.6 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.788 -0.449 . . . . 73.299999999999997 109.788 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.76 -50.14 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.182 0.993 . . . . 64.450000000000003 110.964 173.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.97 -32.16 71.72 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.746 0.418 . . . . 72.430000000000007 111.281 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -81.43 -24.29 36.97 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.893 0.477 . . . . 53.219999999999999 110.966 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.43 ' CZ3' HG13 ' A' ' 72' ' ' ILE . 60.9 t90 -68.09 -42.28 80.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.14 -0.689 . . . . 65.0 109.14 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.508 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.2 mp -73.85 -34.4 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 116.114 -0.493 . . . . 73.209999999999994 110.174 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.54 -45.62 73.45 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.267 0.627 . . . . 64.109999999999999 111.114 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 5.1 ptpp? -78.34 -33.44 49.13 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.997 -0.525 . . . . 43.240000000000002 111.739 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.43 HG13 ' CZ3' ' A' ' 68' ' ' TRP . 14.8 mm -63.48 -38.59 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-N 118.49 0.586 . . . . 42.450000000000003 111.245 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -68.97 -28.26 66.46 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.451 0.469 . . . . 61.240000000000002 110.737 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -82.1 -30.25 31.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.972 0.909 . . . . 72.450000000000003 111.296 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 9.2 mm-40 -87.92 -40.46 13.93 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.48 0.657 . . . . 64.329999999999998 109.788 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -125.24 78.08 67.39 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.574 1.15 . . . . 74.230000000000004 108.656 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -89.08 1.37 6.04 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.192 2.594 . . . . 74.219999999999999 115.012 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -89.71 13.05 15.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.111 0.782 . . . . 75.099999999999994 113.111 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.558 HD22 HG23 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -149.65 164.72 34.4 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.521 0.728 . . . . 55.240000000000002 111.322 -175.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.23 152.17 34.83 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.934 -0.765 . . . . 52.329999999999998 108.934 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.84 123.21 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.479 -0.934 . . . . 62.310000000000002 108.479 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -118.5 132.18 56.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.98 0.912 . . . . 65.439999999999998 109.718 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.9 mtmm -91.72 119.91 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.993 -0.743 . . . . 74.219999999999999 108.993 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 55.6 t -106.16 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.466 -0.938 . . . . 64.140000000000001 108.466 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -88.99 -18.94 26.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.617 -0.719 . . . . 64.400000000000006 110.535 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.19 152.08 35.55 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.518 1.127 . . . . 72.219999999999999 110.144 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.43 -34.81 72.96 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.859 0.864 . . . . 73.140000000000001 110.79 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.53 -40.76 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.719 1.208 . . . . 75.450000000000003 111.71 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.1 mm100 -63.45 -41.79 98.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.572 0.545 . . . . 72.329999999999998 109.862 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.57 68.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.794 0.838 . . . . 63.350000000000001 112.441 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.58 -35.74 22.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.285 0.634 . . . . 73.129999999999995 111.927 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -70.4 -42.27 71.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.433 0.293 . . . . 64.439999999999998 111.128 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 18.6 pt -56.66 -29.14 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 112.945 0.72 . . . . 73.420000000000002 112.945 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 70.4 mt -48.15 -51.37 25.21 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.33 0.394 . . . . 72.120000000000005 110.337 170.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.15 -34.01 63.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.686 0.794 . . . . 64.439999999999998 111.117 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.6 t70 -61.98 -31.45 71.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.195 0.998 . . . . 74.120000000000005 110.377 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 23' ' ' ILE . 10.3 mp -78.74 -34.19 45.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.961 0.904 . . . . 70.219999999999999 111.323 175.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 1.6 mmmp? . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 120.594 0.235 . . . . 74.129999999999995 111.434 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.1 ptpt . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 109.507 -0.553 . . . . 73.120000000000005 109.507 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.525 HG23 HD22 ' A' ' 79' ' ' LEU . 31.7 pt -125.48 145.37 32.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.739 0.78 . . . . 73.349999999999994 109.127 170.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.435 HG13 HG21 ' A' ' 23' ' ' ILE . 44.5 mm -114.5 140.09 37.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.414 -1.328 . . . . 74.120000000000005 107.414 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 69' ' ' ILE . 62.0 t -121.34 115.04 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.288 -1.004 . . . . 74.319999999999993 108.288 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.0 mt -106.96 129.65 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.044 -0.724 . . . . 74.049999999999997 109.044 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.8 mp -95.27 95.3 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 106.287 -1.746 . . . . 73.239999999999995 106.287 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -105.26 136.26 45.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.929 0.491 . . . . 55.240000000000002 110.943 -171.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -139.23 94.0 2.75 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.089 -0.96 . . . . 71.349999999999994 110.47 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 77.41 -51.01 0.54 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.702 1.601 . . . . 63.43 113.843 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HB2' HD13 ' A' ' 16' ' ' LEU . 21.9 m-20 -53.35 115.9 2.15 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.338 1.055 . . . . 62.350000000000001 112.384 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -74.64 -17.66 60.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.724 0.809 . . . . 51.310000000000002 112.958 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -59.56 -38.73 81.89 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.695 0.798 . . . . 72.129999999999995 111.665 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' ASP . 6.3 mp -76.54 -24.06 53.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.458 0.303 . . . . 71.409999999999997 110.358 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.66 -47.75 44.89 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.991 0.917 . . . . 65.319999999999993 110.788 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.47 -39.09 71.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.061 -0.518 . . . . 52.039999999999999 110.987 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.54 -35.0 79.55 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.437 0.461 . . . . 73.329999999999998 110.688 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.76 68.47 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.473 0.709 . . . . 75.040000000000006 111.621 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -70.95 -33.61 70.65 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.453 -0.794 . . . . 71.409999999999997 110.958 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.03 -38.16 66.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.565 0.746 . . . . 52.039999999999999 111.338 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.435 HG21 HG13 ' A' ' 6' ' ' ILE . 2.0 mp -67.91 -41.38 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.696 0.399 . . . . 71.409999999999997 110.546 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.6 ptpt -73.73 -19.96 60.65 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 121.724 -0.61 . . . . 63.399999999999999 112.185 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.14 -20.19 65.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 74.010000000000005 111.224 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG3' HD23 ' A' ' 97' ' ' LEU . 20.3 mm-40 -69.14 -15.65 63.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.528 0.731 . . . . 73.310000000000002 111.223 174.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.06 20.64 10.99 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 116.626 -0.261 . . . . 73.450000000000003 113.056 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 97' ' ' LEU . 4.1 pp -125.89 170.1 11.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.397 0.679 . . . . 63.119999999999997 109.926 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -94.35 147.98 22.68 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.128 0.418 . . . . 75.030000000000001 112.128 -173.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 24' ' ' LYS . 40.7 t -125.53 133.47 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.892 0.877 . . . . 73.400000000000006 109.909 177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 76.2 m-85 -111.71 133.97 53.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.273 -1.38 . . . . 75.299999999999997 107.273 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -114.21 123.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 109.118 -0.697 . . . . 74.450000000000003 109.118 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD12 HG23 ' A' ' 65' ' ' ILE . 47.8 mt -104.73 112.66 25.84 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.978 -0.749 . . . . 61.200000000000003 108.978 176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -97.6 128.18 44.12 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.191 0.996 . . . . 64.540000000000006 109.711 -175.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.5 ptmm? -140.27 120.69 14.05 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.57 0.748 . . . . 64.219999999999999 109.026 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t70 -132.89 171.36 14.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.383 -0.969 . . . . 72.540000000000006 108.383 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -74.02 -30.99 62.73 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.263 0.625 . . . . 53.130000000000003 111.414 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -118.62 106.48 12.66 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.672 -0.862 . . . . 72.219999999999999 108.672 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 12.8 pt-20 -58.1 -18.63 26.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.071 1.508 . . . . 72.239999999999995 115.071 -175.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -74.75 -57.08 4.14 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.773 0.715 . . . . 71.040000000000006 110.782 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -66.46 -28.58 68.7 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.771 0.428 . . . . 72.340000000000003 110.063 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 34' ' ' LEU . 26.9 tp -55.94 -57.58 11.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.112 1.365 . . . . 75.010000000000005 111.611 170.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HG2' HD12 ' A' ' 46' ' ' ILE . 47.7 mt-10 -80.47 -13.78 58.83 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.06 -0.518 . . . . 71.340000000000003 112.019 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.6 mm-40 -69.47 -45.47 68.94 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.224 -0.658 . . . . 64.120000000000005 109.224 167.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.11 -36.37 77.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.878 0.871 . . . . 75.219999999999999 110.354 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 43' ' ' GLU . 46.5 mt -61.19 -43.76 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.562 0.745 . . . . 71.310000000000002 110.439 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 25.1 mm-40 -67.57 -35.86 79.81 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.176 0.297 . . . . 64.549999999999997 110.97 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 41.7 mmtm -65.3 -42.99 92.52 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.925 0.49 . . . . 71.420000000000002 110.044 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.0 -38.14 69.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.876 -1.056 . . . . 63.409999999999997 112.085 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -67.64 -33.82 75.72 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.144 -0.347 . . . . 72.540000000000006 110.448 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -67.41 -33.41 75.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.118 0.567 . . . . 73.209999999999994 111.671 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.79 -10.62 60.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.244 0.617 . . . . 44.329999999999998 111.082 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.26 65.0 1.22 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 111.725 -0.55 . . . . 51.329999999999998 111.725 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.69 138.25 32.31 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.725 -0.843 . . . . 62.210000000000001 108.725 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.73 97.51 5.19 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.915 -1.143 . . . . 62.009999999999998 107.915 168.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HB ' HG23 ' A' ' 46' ' ' ILE . 14.3 t -107.47 136.18 43.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.221 -0.9 . . . . 74.140000000000001 108.958 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -128.72 144.64 51.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.945 0.898 . . . . 71.099999999999994 108.601 -176.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -86.26 129.81 34.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.421 -1.325 . . . . 74.219999999999999 107.421 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 35' ' ' LYS . 10.0 m -119.62 157.67 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.421 0.688 . . . . 74.239999999999995 109.834 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -78.99 -45.63 19.85 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.943 -1.026 . . . . 71.349999999999994 110.399 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.5 176.23 9.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.598 -1.183 . . . . 74.310000000000002 108.796 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.9 -24.42 60.84 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.114 0.415 . . . . 71.239999999999995 110.208 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.16 -52.5 34.83 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.523 1.129 . . . . 53.009999999999998 110.401 163.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.12 -34.24 77.62 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.799 -1.091 . . . . 63.32 110.515 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 33' ' ' LEU . 69.1 mt -64.54 -49.34 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.229 1.012 . . . . 73.209999999999994 112.506 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.91 -34.18 76.89 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 121.13 0.49 . . . . 71.5 111.427 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -77.35 -29.53 53.43 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.295 -0.866 . . . . 62.210000000000001 110.914 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.9 t90 -64.7 -45.01 88.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.046 0.938 . . . . 75.510000000000005 108.919 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -72.54 -32.39 41.4 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 72.049999999999997 110.094 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.71 -50.71 67.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.772 0.829 . . . . 73.430000000000007 110.629 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -74.35 -28.8 61.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.837 -0.619 . . . . 63.420000000000002 111.519 -176.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -64.91 -41.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.582 0.353 . . . . 55.25 110.482 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -67.36 -31.1 71.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.307 0.643 . . . . 65.340000000000003 111.017 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -74.45 -41.49 60.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.047 0.939 . . . . 72.420000000000002 110.469 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.7 mm-40 -70.92 -42.67 69.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.393 0.677 . . . . 54.130000000000003 110.18 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.34 88.51 43.92 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.148 0.979 . . . . 73.319999999999993 109.858 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -86.06 -2.83 8.81 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 122.846 2.364 . . . . 74.120000000000005 113.241 173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -72.73 -0.02 12.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.51 0.559 . . . . 70.400000000000006 112.51 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.525 HD22 HG23 ' A' ' 5' ' ' ILE . 1.2 pp -142.16 165.64 26.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.205 1.002 . . . . 61.130000000000003 110.79 -175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.68 143.55 27.11 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 108.436 -0.95 . . . . 71.129999999999995 108.436 168.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.58 111.74 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.423 -0.954 . . . . 72.219999999999999 108.423 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -110.65 114.27 27.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.982 0.913 . . . . 74.310000000000002 109.815 -170.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.0 mtmm -76.79 120.55 22.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.27 -0.641 . . . . 75.120000000000005 109.27 172.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 93' ' ' ILE . 63.1 t -113.9 90.93 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.711 1.204 . . . . 74.129999999999995 108.809 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 45.2 p -84.73 -37.5 20.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.004 -0.544 . . . . 73.510000000000005 110.435 -177.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.569 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 5.1 m-20 -98.18 146.97 25.07 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.692 0.797 . . . . 50.130000000000003 110.378 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -36.46 70.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.9 1.28 . . . . 73.150000000000006 110.703 168.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 4.2 m-20 -52.35 -44.54 65.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.111 -0.949 . . . . 61.149999999999999 110.961 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 72.8 mt-30 -65.53 -36.2 83.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.609 0.764 . . . . 73.209999999999994 111.111 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.94 -29.92 71.05 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.784 0.677 . . . . 71.420000000000002 111.367 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' LEU . 96.3 mttt -82.55 -32.44 28.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.927 -0.579 . . . . 55.549999999999997 112.189 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.7 mm100 -68.0 -43.68 78.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.928 0.331 . . . . 54.200000000000003 110.889 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 97' ' ' LEU . 16.5 pt -65.13 -28.33 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.544 0.572 . . . . 52.409999999999997 112.544 177.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 91' ' ' LYS . 87.4 mt -53.82 -43.96 69.83 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.794 -0.447 . . . . 73.019999999999996 109.794 169.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -79.05 -26.96 43.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.996 0.918 . . . . 75.439999999999998 111.561 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.47 -42.8 95.69 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.56 0.744 . . . . 73.450000000000003 109.975 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 28' ' ' LEU . 6.7 mp -70.21 -25.05 63.23 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.387 -1.279 . . . . 64.420000000000002 110.708 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 45.1 mmtm . . . . . 0 N--CA 1.478 0.94 0 C-N-CA 123.192 0.597 . . . . 73.409999999999997 110.719 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 28' ' ' LEU . 15.1 ptpt . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 107.968 -1.123 . . . . 74.049999999999997 107.968 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 HG23 HD22 ' A' ' 79' ' ' LEU . 38.9 pt -105.5 142.91 17.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 109.326 -0.62 . . . . 73.310000000000002 109.326 175.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.51 ' HB ' HG22 ' A' ' 30' ' ' VAL . 45.2 mm -116.0 116.37 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.067 -1.086 . . . . 63.119999999999997 108.067 173.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 41.4 t -102.06 109.84 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.472 -0.936 . . . . 73.319999999999993 108.472 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.615 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 18.6 mt -102.66 119.99 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.451 0.7 . . . . 73.349999999999994 111.164 -172.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG13 HD13 ' A' ' 65' ' ' ILE . 2.7 mp -87.53 89.72 3.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 N-CA-C 106.265 -1.754 . . . . 54.350000000000001 106.265 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.49 ' HB3' HD22 ' A' ' 34' ' ' LEU . 39.8 t -88.78 102.8 15.37 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.536 -0.542 . . . . 62.100000000000001 109.536 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -94.89 73.53 3.53 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.234 -0.894 . . . . 75.340000000000003 109.687 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 74.89 -33.9 0.25 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 125.304 1.442 . . . . 71.209999999999994 114.14 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 16' ' ' LEU . 14.8 t70 -75.87 136.19 40.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.151 0.58 . . . . 54.049999999999997 111.799 -166.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -84.08 -20.56 32.4 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.187 0.81 . . . . 74.540000000000006 113.187 -168.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -59.21 -34.73 72.52 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 122.158 -0.339 . . . . 64.239999999999995 111.024 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 13' ' ' ASP . 6.0 mp -70.85 -27.99 64.25 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.169 0.588 . . . . 73.510000000000005 110.71 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.44 -44.97 33.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.328 1.051 . . . . 63.450000000000003 111.325 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.9 -34.18 62.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.025 -0.534 . . . . 75.219999999999999 111.175 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.86 -37.58 84.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.998 0.519 . . . . 43.520000000000003 109.917 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.99 -39.27 68.85 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.422 0.689 . . . . 72.219999999999999 111.699 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -67.97 -38.48 82.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.339 -0.846 . . . . 75.209999999999994 111.185 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.14 -47.02 86.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.685 0.615 . . . . 62.340000000000003 109.834 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.47 HG21 HG13 ' A' ' 6' ' ' ILE . 1.9 mp -68.94 -54.05 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 114.824 -1.08 . . . . 73.219999999999999 111.673 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.3 ptpt -70.71 -21.89 62.51 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.983 0.735 . . . . 75.0 112.983 -172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.48 -26.7 65.47 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.748 0.655 . . . . 62.32 111.261 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.11 -12.72 61.33 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.68 0.792 . . . . 72.5 112.478 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.24 -0.69 11.54 Favored Glycine 0 N--CA 1.474 1.192 0 N-CA-C 114.375 0.51 . . . . 53.520000000000003 114.375 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -100.41 158.51 15.84 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.618 0.709 . . . . 75.319999999999993 110.306 179.2 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -84.79 143.02 29.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.885 0.474 . . . . 42.310000000000002 111.49 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' A' ' 6' ' ' ILE . 53.5 t -122.44 127.47 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 64.0 109.455 171.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.06 113.13 26.45 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.649 -0.871 . . . . 72.129999999999995 108.649 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.447 ' HB ' HG22 ' A' ' 56' ' ' VAL . 35.0 mm -89.55 107.92 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.239 -0.652 . . . . 73.230000000000004 109.239 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 65' ' ' ILE . 48.5 mt -89.61 104.15 16.73 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.461 -0.94 . . . . 55.350000000000001 108.461 172.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -85.69 124.39 32.16 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.84 -0.8 . . . . 62.0 108.84 -174.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.56 123.43 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.704 -0.85 . . . . 73.109999999999999 108.704 168.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.41 166.81 21.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.736 0.815 . . . . 64.510000000000005 109.056 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -74.62 -43.72 54.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.866 0.466 . . . . 73.239999999999995 110.862 177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.03 152.2 20.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.68 -0.489 . . . . 65.230000000000004 109.68 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HG3' ' HG2' ' A' ' 40' ' ' LYS . 10.3 pt-20 -75.63 -45.94 34.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.828 0.851 . . . . 65.329999999999998 110.875 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG2' ' HG3' ' A' ' 39' ' ' GLU . 32.4 mmtp -83.19 -36.14 24.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.029 0.532 . . . . 70.230000000000004 110.49 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -69.88 -30.44 67.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.901 0.48 . . . . 74.129999999999995 110.482 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 34' ' ' LEU . 57.9 tp -56.39 -55.66 30.78 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.88 0.872 . . . . 50.109999999999999 110.728 167.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 7.8 tp10 -63.64 -42.32 98.14 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 124.114 0.884 . . . . 73.439999999999998 112.402 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.74 -34.02 76.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.019 0.528 . . . . 63.420000000000002 111.114 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -65.06 -39.12 92.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.506 0.723 . . . . 70.299999999999997 110.21 175.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.476 ' HA ' HG11 ' A' ' 56' ' ' VAL . 93.3 mt -61.49 -45.72 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.112 0.965 . . . . 74.120000000000005 110.165 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -61.17 -45.47 94.49 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.277 0.631 . . . . 72.129999999999995 110.98 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 7.5 mmpt? -64.28 -47.64 78.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.361 -0.836 . . . . 72.150000000000006 111.667 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.556 ' HB2' HG21 ' A' ' 56' ' ' VAL . 87.5 mt -70.06 -34.98 73.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.859 0.464 . . . . 55.210000000000001 111.151 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -65.4 -37.66 87.63 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.019 0.372 . . . . 52.229999999999997 110.819 173.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -62.04 -33.44 74.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.606 0.762 . . . . 71.420000000000002 111.584 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 20.3 mt-30 -75.4 -9.76 58.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.929 0.492 . . . . 73.25 111.349 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.84 21.27 11.33 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 123.315 0.483 . . . . 64.299999999999997 113.162 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.36 142.22 28.75 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.456 0.703 . . . . 74.129999999999995 110.576 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.91 89.05 6.34 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.273 -1.01 . . . . 64.319999999999993 108.273 171.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.9 t -98.55 126.13 51.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 115.289 -0.869 . . . . 75.129999999999995 109.58 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.444 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 28.3 mmm180 -120.4 145.03 47.58 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.244 1.017 . . . . 61.240000000000002 109.083 -175.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -91.63 120.34 32.32 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.501 -0.926 . . . . 73.329999999999998 108.501 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 65' ' ' ILE . 9.5 m -118.64 146.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.17 0.988 . . . . 75.450000000000003 109.148 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.46 -41.0 80.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.949 0.5 . . . . 71.430000000000007 111.114 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -171.33 173.0 5.01 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.402 0.681 . . . . 45.219999999999999 110.328 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.1 p-10 -73.35 -23.76 60.25 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.764 0.826 . . . . 73.200000000000003 111.692 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.37 -39.12 75.37 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.605 0.362 . . . . 75.299999999999997 111.172 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.6 -36.14 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.405 0.682 . . . . 72.219999999999999 111.089 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 9' ' ' ILE . 67.6 mt -55.86 -34.33 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 115.23 -0.895 . . . . 72.209999999999994 111.587 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.74 -42.86 79.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.965 0.506 . . . . 74.530000000000001 111.87 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -27.32 55.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.805 0.842 . . . . 71.209999999999994 110.269 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 30.4 t90 -72.36 -32.82 66.78 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.466 0.706 . . . . 63.329999999999998 110.186 -178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.554 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -81.49 -38.45 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 109.685 -0.487 . . . . 73.329999999999998 109.685 172.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.589 ' HA ' ' HD3' ' A' ' 73' ' ' LYS . 26.2 t70 -56.06 -39.52 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.807 0.843 . . . . 73.25 111.82 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -64.55 -39.91 94.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.936 -0.574 . . . . 70.430000000000007 111.681 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -75.59 -30.51 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 122.651 0.38 . . . . 74.239999999999995 110.528 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 70' ' ' ASP . 56.6 mtpt -60.1 -34.58 73.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.462 0.649 . . . . 74.549999999999997 110.0 170.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 25.8 ttmt -82.67 -37.19 25.19 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.065 1.346 . . . . 74.5 111.245 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 32.9 mm-40 -78.44 -52.16 8.97 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.048 0.539 . . . . 74.519999999999996 110.401 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -126.73 90.03 50.68 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.245 1.018 . . . . 65.319999999999993 109.146 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.13 6.98 5.48 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.58 2.187 . . . . 61.32 112.941 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.78 11.77 36.1 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.134 0.974 . . . . 73.409999999999997 112.474 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.444 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -130.77 154.3 48.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.253 0.621 . . . . 72.209999999999994 110.959 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 35.4 mm-40 -80.11 140.01 36.62 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.198 -0.667 . . . . 72.230000000000004 109.198 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 69' ' ' ILE . 13.9 t -127.18 116.02 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.722 -0.844 . . . . 73.239999999999995 108.722 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 93' ' ' ILE . 25.0 tpp180 -115.18 125.1 53.01 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.92 -0.77 . . . . 75.420000000000002 108.92 175.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.7 122.51 34.32 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.812 -0.81 . . . . 72.230000000000004 108.812 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.615 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 56.1 t -96.96 88.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 107.769 -1.197 . . . . 75.030000000000001 107.769 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 p -78.55 -27.26 45.86 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.452 -0.795 . . . . 62.43 110.142 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.13 160.18 39.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 55.43 109.759 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.27 -39.14 66.61 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.401 1.08 . . . . 75.209999999999994 112.576 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 21.9 t70 -56.18 -38.22 70.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.045 0.938 . . . . 73.329999999999998 111.555 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -68.73 -33.23 73.57 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.251 0.62 . . . . 64.439999999999998 111.211 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -69.04 -22.64 64.03 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.520000000000003 111.774 173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -84.74 -27.7 26.77 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.603 0.761 . . . . 70.420000000000002 111.291 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.4 mm-40 -74.57 -37.96 62.81 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.815 0.446 . . . . 74.540000000000006 111.803 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 24.3 pt -60.31 -27.42 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.452 0.908 . . . . 63.109999999999999 113.452 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.03 -39.83 66.52 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.733 0.413 . . . . 72.430000000000007 110.707 166.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 98' ' ' LYS . 49.7 mm-40 -82.1 -26.0 33.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.423 0.689 . . . . 75.140000000000001 112.705 175.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -62.41 -40.28 96.01 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 122.855 0.462 . . . . 64.150000000000006 110.239 178.363 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 93' ' ' ILE . 9.1 mp -69.24 -39.37 78.54 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.545 -0.752 . . . . 33.340000000000003 111.966 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.9 0.333 . . . . 75.019999999999996 111.9 -173.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' NZ ' HD13 ' A' ' 28' ' ' LEU . 15.5 ttpp . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 109.584 -0.524 . . . . 72.040000000000006 109.584 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.2 pt -121.72 149.54 24.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 123.931 0.892 . . . . 74.530000000000001 110.296 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.91 120.31 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.231 -1.026 . . . . 74.040000000000006 108.231 173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 90.0 t -101.28 116.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.653 -0.869 . . . . 61.109999999999999 108.653 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 23' ' ' ILE . 60.7 mt -109.6 129.39 64.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 123.821 0.848 . . . . 75.349999999999994 109.227 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 1.9 mp -87.46 89.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 106.466 -1.679 . . . . 74.420000000000002 106.466 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 t -83.19 104.07 13.09 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 114.478 -1.237 . . . . 73.430000000000007 109.387 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -97.64 -159.58 0.75 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.537 -1.21 . . . . 72.140000000000001 109.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.39 -24.09 67.19 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.657 0.783 . . . . 62.420000000000002 111.628 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.75 109.31 4.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.781 0.432 . . . . 64.129999999999995 109.847 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.9 m -78.39 -7.24 57.11 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.338 0.655 . . . . 64.239999999999995 112.246 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -55.13 -33.24 62.71 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.454 0.645 . . . . 53.119999999999997 111.221 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.11 -28.02 66.11 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.373 1.069 . . . . 75.040000000000006 110.92 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.68 -40.22 16.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.825 1.25 . . . . 73.349999999999994 111.315 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.22 -36.25 61.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.728 0.411 . . . . 65.239999999999995 110.84 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 94' ' ' LEU . 87.8 mt -75.57 -23.66 56.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.789 0.436 . . . . 75.349999999999994 110.888 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.83 84.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.525 0.73 . . . . 73.349999999999994 110.759 172.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -67.76 -27.65 66.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.808 -1.087 . . . . 35.439999999999998 111.082 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.71 -42.1 61.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.028 0.531 . . . . 74.420000000000002 110.802 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 8' ' ' ILE . 80.2 mt -64.71 -52.29 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.153 0.981 . . . . 74.439999999999998 111.845 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -56.23 -24.09 40.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 123.732 0.645 . . . . 54.32 112.468 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.34 -25.0 66.61 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 71.230000000000004 112.402 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.56 -14.17 62.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.063 0.545 . . . . 62.229999999999997 111.035 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.38 25.88 6.17 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 116.138 -0.483 . . . . 71.019999999999996 113.097 171.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -123.65 151.89 42.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.089 0.555 . . . . 74.129999999999995 110.674 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -73.98 132.2 42.17 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.268 -0.878 . . . . 72.329999999999998 110.178 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.73 131.53 64.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 C-N-CA 123.465 0.706 . . . . 75.340000000000003 109.379 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 50.3 m-85 -103.09 132.26 49.48 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 124.069 0.948 . . . . 54.240000000000002 108.523 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 56' ' ' VAL . 41.1 mm -114.07 109.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.389 -0.967 . . . . 61.130000000000003 108.389 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD22 HG13 ' A' ' 59' ' ' VAL . 19.2 mt -86.45 102.97 14.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.2 -0.667 . . . . 75.519999999999996 109.2 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.513 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -84.25 120.49 26.28 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.095 -1.076 . . . . 73.200000000000003 108.095 -177.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.2 ptmm? -138.98 117.63 12.2 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.193 -1.41 . . . . 62.549999999999997 107.193 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.544 ' H ' HD12 ' A' ' 42' ' ' LEU . 27.5 t70 -134.14 164.32 27.61 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.735 0.814 . . . . 75.530000000000001 109.371 -172.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -52.1 -55.88 17.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.236 1.414 . . . . 73.129999999999995 111.421 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -100.5 153.15 19.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.91 0.884 . . . . 72.349999999999994 109.482 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.58 -44.34 28.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.826 0.851 . . . . 75.120000000000005 110.483 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.42 -45.63 75.54 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.09 -0.505 . . . . 51.420000000000002 109.888 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -53.53 -45.67 69.87 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.023 0.929 . . . . 71.510000000000005 111.229 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.5 tt -56.73 -58.12 9.48 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.491 1.119 . . . . 62.119999999999997 110.399 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.983 0.913 . . . . 73.0 112.443 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.68 -41.79 62.17 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.88 0.472 . . . . 74.129999999999995 110.138 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.72 -31.44 72.37 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.908 0.755 . . . . 64.209999999999994 110.368 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 mt -53.82 -55.7 12.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.954 0.784 . . . . 63.049999999999997 109.654 170.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.402 HE21 HG22 ' A' ' 46' ' ' ILE . 28.1 mm-40 -65.11 -34.87 79.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.376 0.671 . . . . 71.010000000000005 112.226 -175.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.14 -36.82 69.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.6 . . . . 75.430000000000007 111.304 -176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 56' ' ' VAL . 88.0 mt -77.7 -34.98 52.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.465 0.306 . . . . 53.009999999999998 111.018 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 49.1 mtpt -62.95 -30.08 71.3 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.402 0.281 . . . . 73.030000000000001 111.398 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 t -58.97 -31.6 68.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.383 0.673 . . . . 71.349999999999994 111.568 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -91.03 13.22 17.37 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.447 0.699 . . . . 70.349999999999994 111.902 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.11 49.28 8.68 Favored Glycine 0 C--N 1.348 1.206 0 N-CA-C 113.333 0.093 . . . . 71.420000000000002 113.333 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.28 139.12 53.19 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.662 -0.866 . . . . 61.049999999999997 108.662 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -87.22 88.81 7.79 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.895 -1.15 . . . . 71.439999999999998 107.895 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 46' ' ' ILE . 17.0 t -89.51 125.27 42.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 113.993 -1.458 . . . . 53.439999999999998 109.311 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.36 149.74 50.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.107 0.963 . . . . 61.109999999999999 109.472 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HE2' HD22 ' A' ' 42' ' ' LEU . 38.7 ttmt -87.99 134.99 33.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.289 1.035 . . . . 73.310000000000002 109.944 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 33' ' ' LEU . 5.6 m -133.03 165.31 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.915 0.886 . . . . 64.209999999999994 108.846 170.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -85.54 -84.43 0.16 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.035 -0.984 . . . . 72.549999999999997 110.36 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.62 -177.5 4.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.699 0.8 . . . . 63.130000000000003 110.271 -174.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.98 -33.98 72.68 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.501 1.12 . . . . 64.129999999999995 112.634 -171.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -64.8 -38.55 91.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.331 0.652 . . . . 54.439999999999998 110.438 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.18 -38.78 75.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.199 0.6 . . . . 54.039999999999999 110.279 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 90.5 mt -63.78 -56.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.22 1.408 . . . . 65.409999999999997 112.408 -175.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.16 -34.63 76.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.23 0.538 . . . . 72.340000000000003 110.221 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -69.82 -35.75 75.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.792 -1.095 . . . . 74.530000000000001 110.457 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -65.78 -33.88 76.89 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.688 1.195 . . . . 74.230000000000004 111.429 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.671 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -74.9 -44.98 44.56 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 C-N-CA 123.269 0.628 . . . . 72.5 109.752 176.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.39 -45.01 89.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.712 -1.131 . . . . 70.25 111.56 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -36.21 80.51 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.434 0.693 . . . . 71.0 112.215 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.94 -41.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.667 0.387 . . . . 63.200000000000003 110.309 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -65.54 -20.39 66.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.523 0.514 . . . . 72.239999999999995 112.305 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -86.23 -43.49 12.93 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.943 0.497 . . . . 71.530000000000001 110.359 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.46 -35.87 80.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.833 0.853 . . . . 63.439999999999998 110.853 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -143.52 80.62 12.88 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.17 1.388 . . . . 72.099999999999994 108.738 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.65 -3.77 13.27 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.726 2.284 . . . . 72.420000000000002 113.639 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.61 -21.95 61.77 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.769 0.655 . . . . 72.140000000000001 112.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -117.33 145.18 44.2 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.513 0.931 . . . . 74.329999999999998 113.513 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -83.89 133.73 34.71 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.52 -1.218 . . . . 64.430000000000007 108.975 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.27 132.83 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.146 0.578 . . . . 55.130000000000003 109.496 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -126.57 129.21 48.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.855 0.862 . . . . 72.310000000000002 108.964 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.671 ' HG2' HG12 ' A' ' 69' ' ' ILE . 32.3 mtmm -85.15 138.74 32.19 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.16 0.584 . . . . 54.229999999999997 109.487 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -119.79 90.32 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.316 -0.994 . . . . 71.239999999999995 108.316 169.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 p -88.35 -10.48 49.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.912 0.485 . . . . 60.549999999999997 111.356 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -142.75 149.39 38.67 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.783 0.833 . . . . 72.120000000000005 110.494 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.27 -45.71 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.6 1.56 . . . . 61.210000000000001 113.343 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.94 -33.36 66.93 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.783 0.833 . . . . 65.209999999999994 111.673 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.1 -40.65 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.319 0.648 . . . . 61.409999999999997 110.793 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.412 0.685 . . . . 65.409999999999997 111.289 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.37 -35.42 61.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.522 0.729 . . . . 75.409999999999997 111.041 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -47.77 43.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.07 0.548 . . . . 72.549999999999997 109.612 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 30.8 pt -61.8 -23.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.124 0.787 . . . . 54.409999999999997 113.124 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 19' ' ' LEU . 88.7 mt -53.79 -38.73 64.8 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.827 0.285 . . . . 64.5 111.549 170.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -83.32 -32.99 26.0 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.629 1.172 . . . . 73.219999999999999 110.617 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.9 t70 -66.21 -45.28 81.28 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.415 -1.266 . . . . 72.510000000000005 111.899 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.9 -20.09 66.26 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.699 0.8 . . . . 71.409999999999997 111.815 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.493 0.664 . . . . 74.140000000000001 110.196 176.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 tpp . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.883 -0.414 . . . . 63.039999999999999 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.67 102.08 1.85 Allowed Glycine 0 C--N 1.338 0.685 0 N-CA-C 110.337 -1.105 . . . . 65.140000000000001 110.337 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 m -59.43 116.05 3.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.149 0.579 . . . . 65.150000000000006 109.999 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 21.0 ttpt -143.79 152.78 41.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.523 -1.288 . . . . 63.439999999999998 107.523 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' HB3' ' A' ' 29' ' ' GLU . 31.0 pt -130.43 148.26 33.14 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 108.698 -0.853 . . . . 72.140000000000001 108.698 169.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 93' ' ' ILE . 40.4 mm -112.19 141.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.373 -1.343 . . . . 71.409999999999997 107.373 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 69' ' ' ILE . 93.8 t -115.5 114.18 45.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.468 -1.308 . . . . 74.329999999999998 107.468 174.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 46.2 mt -109.07 126.22 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 N-CA-C 108.458 -0.942 . . . . 70.209999999999994 108.458 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -100.8 103.31 14.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.889 -1.523 . . . . 62.439999999999998 106.889 -173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -72.95 131.06 41.71 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.726 -0.842 . . . . 64.230000000000004 108.726 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 p -138.37 79.69 1.75 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.673 -0.862 . . . . 73.319999999999993 108.673 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 76.3 -62.39 0.42 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.045 1.738 . . . . 71.549999999999997 112.274 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.62 159.45 24.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.631 0.772 . . . . 71.519999999999996 111.36 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -100.27 -11.93 19.94 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.825 0.85 . . . . 63.210000000000001 113.177 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.496 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 28.5 m -58.56 -27.57 64.71 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 112.961 0.726 . . . . 72.019999999999996 112.961 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.6 mp -66.9 -46.94 73.33 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.35 0.66 . . . . 74.25 110.226 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 49' ' ' LEU . 3.3 pm0 -86.16 -20.7 28.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.965 0.906 . . . . 74.450000000000003 112.863 -175.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 15' ' ' THR . 11.6 pt-20 -73.86 -35.6 64.76 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.73 0.696 . . . . 75.319999999999993 109.342 172.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 94' ' ' LEU . 63.7 mt -63.46 -33.99 76.78 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.525 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -53.06 -32.67 48.25 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.03 0.932 . . . . 74.219999999999999 112.739 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -65.53 -39.69 92.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.524 0.73 . . . . 72.439999999999998 110.853 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -70.8 -35.99 72.79 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.758 0.823 . . . . 45.43 110.485 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.552 HG12 HD12 ' A' ' 93' ' ' ILE . 1.8 mp -63.2 -55.15 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.574 0.75 . . . . 73.219999999999999 111.203 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.6 ptpt -66.87 -23.56 66.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 111.93 0.345 . . . . 72.510000000000005 111.93 -177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.24 -27.52 68.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.907 0.883 . . . . 44.350000000000001 111.104 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.19 -5.53 36.35 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.566 0.747 . . . . 73.25 112.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.56 27.1 6.92 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.969 0.348 . . . . 71.219999999999999 113.969 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -128.71 176.29 7.92 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.938 0.895 . . . . 72.329999999999998 109.948 172.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.613 ' HB3' HG22 ' A' ' 5' ' ' ILE . 9.2 tp10 -99.07 157.89 16.03 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.771 0.428 . . . . 74.040000000000006 111.537 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 24' ' ' LYS . 42.5 t -123.43 151.62 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.401 1.08 . . . . 64.299999999999997 109.718 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 95.0 m-85 -129.84 132.82 46.6 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.015 -1.476 . . . . 65.019999999999996 107.015 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' HG22 ' A' ' 56' ' ' VAL . 20.5 mm -104.86 128.84 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.878 -0.786 . . . . 71.409999999999997 108.878 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.519 HD12 HG23 ' A' ' 65' ' ' ILE . 59.0 mt -103.88 108.44 19.76 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.387 -0.968 . . . . 72.349999999999994 108.387 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.09 130.02 34.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 109.32 -0.622 . . . . 70.209999999999994 109.32 -174.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -131.29 123.88 29.29 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.871 0.868 . . . . 74.329999999999998 108.742 167.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 25.1 t70 -135.64 161.95 34.08 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.251 1.02 . . . . 75.120000000000005 109.501 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.61 -37.28 84.54 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.827 0.851 . . . . 72.019999999999996 111.437 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -115.9 114.99 25.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.243 1.017 . . . . 73.120000000000005 109.283 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.83 -15.66 55.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.253 1.205 . . . . 75.319999999999993 114.253 -174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -45.43 16.16 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.283 -0.636 . . . . 75.400000000000006 109.283 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -71.67 -26.55 62.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.044 0.938 . . . . 72.209999999999994 110.276 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 60.5 tp -61.56 -50.63 71.88 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.909 1.284 . . . . 62.030000000000001 110.681 169.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.71 -39.15 93.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.097 -0.956 . . . . 72.129999999999995 112.131 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 12.0 pt-20 -67.3 -39.92 85.99 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.88 -0.415 . . . . 70.540000000000006 109.88 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 34' ' ' LEU . 8.3 tppt? -58.3 -41.66 84.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.184 0.994 . . . . 73.340000000000003 111.097 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.588 HG23 ' HB ' ' A' ' 56' ' ' VAL . 92.4 mt -52.34 -50.52 37.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 O-C-N 124.654 1.221 . . . . 72.109999999999999 109.527 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -69.22 -31.48 70.09 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.9 0.88 . . . . 75.030000000000001 111.83 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.9 mmmt -66.07 -45.17 82.24 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.28 0.562 . . . . 64.450000000000003 110.132 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 17' ' ' GLU . 97.1 mt -75.75 -34.74 60.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.959 -1.019 . . . . 74.109999999999999 111.055 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.7 mtpt -67.73 -31.59 71.62 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.989 0.359 . . . . 74.430000000000007 110.542 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 t -61.01 -43.22 99.21 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.454 0.701 . . . . 72.420000000000002 110.588 169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.1 -22.29 63.05 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.097 0.559 . . . . 62.399999999999999 111.748 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.86 30.21 3.3 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 122.867 0.27 . . . . 74.310000000000002 113.313 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -112.94 114.51 27.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.921 . . . . 74.420000000000002 108.777 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.49 97.01 1.23 Allowed 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.105 -0.702 . . . . 53.32 109.105 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.588 ' HB ' HG23 ' A' ' 46' ' ' ILE . 25.3 t -95.46 135.1 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.046 -0.979 . . . . 74.530000000000001 109.802 -178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.92 145.6 44.55 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 107.372 -1.344 . . . . 71.219999999999999 107.372 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -94.01 125.21 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 107.631 -1.248 . . . . 70.329999999999998 107.631 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 33' ' ' LEU . 14.9 m -121.05 177.04 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.785 0.834 . . . . 72.420000000000002 109.621 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -83.79 -78.69 0.22 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.181 -0.674 . . . . 61.229999999999997 109.181 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.71 -163.5 1.73 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.6 -0.889 . . . . 73.409999999999997 108.6 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 36.7 t70 -67.1 -25.84 66.41 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.506 0.722 . . . . 71.409999999999997 112.853 -164.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.01 -51.57 67.27 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.696 0.799 . . . . 74.340000000000003 110.642 171.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.92 -28.81 55.42 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 115.03 -0.986 . . . . 64.5 111.161 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 9' ' ' ILE . 95.9 mt -62.15 -46.74 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.866 0.866 . . . . 62.409999999999997 110.23 173.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.4 -42.01 90.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.617 0.767 . . . . 74.310000000000002 111.778 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -70.17 -34.52 73.09 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.468 -0.787 . . . . 64.439999999999998 110.701 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.508 ' O ' HG12 ' A' ' 72' ' ' ILE . 57.2 t90 -66.02 -43.71 86.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.894 0.878 . . . . 74.510000000000005 109.957 -177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 1.7 mp -66.08 -43.96 92.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.27 0.628 . . . . 75.129999999999995 109.877 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -56.35 -37.21 69.71 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.852 0.861 . . . . 74.209999999999994 111.163 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -46.97 79.09 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.879 1.272 . . . . 74.519999999999996 111.15 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 68' ' ' TRP . 37.7 mm -65.81 -35.91 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.302 0.641 . . . . 63.409999999999997 111.127 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 69' ' ' ILE . 54.4 mtpt -64.0 -35.8 81.91 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.883 0.873 . . . . 74.049999999999997 111.039 176.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -77.2 -35.43 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.096 -0.956 . . . . 63.140000000000001 110.356 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -72.2 -41.76 66.57 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.614 0.765 . . . . 54.109999999999999 110.5 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -124.98 83.8 59.73 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 124.273 1.029 . . . . 72.510000000000005 109.148 -170.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -86.93 28.6 0.53 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.201 2.6 . . . . 74.239999999999995 112.43 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -106.1 -15.71 14.8 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.341 1.056 . . . . 73.129999999999995 111.356 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -138.7 155.59 48.12 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.459 0.703 . . . . 64.030000000000001 112.321 -163.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 46.3 mt-10 -74.48 137.93 42.87 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.58 -0.896 . . . . 73.420000000000002 108.58 166.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 t -116.46 103.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 106.949 -1.501 . . . . 72.239999999999995 106.949 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.8 tpp85 -97.65 137.81 36.0 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.767 0.827 . . . . 73.439999999999998 109.646 -169.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -97.97 125.06 42.72 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.89 0.476 . . . . 73.120000000000005 110.435 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 93' ' ' ILE . 58.6 t -123.76 91.38 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.682 1.193 . . . . 72.109999999999999 109.282 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 43.9 p -88.54 -27.33 21.48 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.946 -0.471 . . . . 70.140000000000001 111.404 -178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -113.8 155.0 26.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.852 0.861 . . . . 74.209999999999994 110.557 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.01 -34.21 74.47 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.534 1.134 . . . . 70.030000000000001 111.486 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.78 -41.42 64.08 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.971 0.909 . . . . 74.530000000000001 111.196 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' HB2' HG13 ' A' ' 84' ' ' VAL . 62.0 mt-30 -74.18 -30.33 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.446 -1.252 . . . . 73.129999999999995 110.644 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.22 65.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.621 0.768 . . . . 54.450000000000003 111.528 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 94' ' ' LEU . 99.1 mttt -86.33 -22.69 26.57 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.579 0.751 . . . . 73.140000000000001 112.421 171.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.65 -47.41 54.57 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.043 0.537 . . . . 73.040000000000006 109.844 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.738 HD13 HG21 ' A' ' 84' ' ' VAL . 11.8 pt -60.46 -27.91 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 112.756 0.65 . . . . 60.409999999999997 112.756 177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.635 HD11 HD22 ' A' ' 19' ' ' LEU . 97.3 mt -52.99 -49.1 66.86 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.542 0.337 . . . . 73.409999999999997 110.421 169.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -74.53 -26.78 60.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.579 0.752 . . . . 74.129999999999995 111.931 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.04 -42.43 94.32 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.284 1.034 . . . . 65.019999999999996 110.498 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.474 HD13 HD21 ' A' ' 28' ' ' LEU . 54.3 mt -79.62 -26.89 41.05 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 113.892 -1.504 . . . . 65.519999999999996 111.652 -176.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.55 -35.18 67.94 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.272 0.558 . . . . 74.420000000000002 109.602 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -75.34 -17.0 60.35 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 115.145 -0.934 . . . . 74.349999999999994 110.851 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 64.12 23.95 13.33 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.843 1.257 . . . . 74.019999999999996 112.074 172.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -159.37 -105.8 0.21 Allowed Glycine 0 C--N 1.343 0.971 0 N-CA-C 110.622 -0.991 . . . . 41.210000000000001 110.622 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.6 m -149.73 170.17 19.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.151 0.58 . . . . 63.329999999999998 111.786 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.96 -61.62 1.55 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.865 0.866 . . . . 65.530000000000001 110.333 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.07 -36.02 0.14 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.031 1.122 . . . . 72.200000000000003 114.031 -171.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.408 ' HD2' ' HB3' ' A' ' 107' ' ' HIS . 5.0 t60 -156.18 137.43 13.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 117.913 0.324 . . . . 71.420000000000002 110.455 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -90.1 50.41 1.86 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 123.83 0.852 . . . . 71.219999999999999 111.094 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 105' ' ' HIS . 52.0 t-80 -170.95 170.04 6.46 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.722 1.209 . . . . 70.109999999999999 108.097 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -137.09 148.57 46.81 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 118.597 0.635 . . . . 72.129999999999995 111.61 -176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -146.79 146.23 30.19 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 125.017 1.327 . . . . 65.140000000000001 108.439 168.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 C--O 1.26 1.649 0 C-N-CA 123.961 0.904 . . . . 65.209999999999994 109.254 174.736 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 108.333 -0.988 . . . . 60.020000000000003 108.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.25 62.15 0.31 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.782 -0.645 . . . . 65.329999999999998 112.01 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 m -71.5 -172.08 0.72 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 74.239999999999995 111.394 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -159.61 140.69 12.6 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.999 0.52 . . . . 63.530000000000001 110.162 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.42 HG12 HD13 ' A' ' 79' ' ' LEU . 48.2 pt -122.36 151.36 26.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 108.027 -1.101 . . . . 64.120000000000005 108.027 166.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG21 HD12 ' A' ' 93' ' ' ILE . 50.2 mm -116.32 123.71 71.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.18 -1.044 . . . . 73.25 108.18 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 59.9 t -101.09 113.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.118 -1.067 . . . . 74.409999999999997 108.118 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.643 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 58.5 mt -108.8 123.59 64.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 N-CA-C 108.797 -0.816 . . . . 72.439999999999998 108.797 -175.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 33' ' ' LEU . 2.8 mp -98.51 95.21 4.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.982 -1.488 . . . . 71.450000000000003 106.982 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.534 ' HB2' HD22 ' A' ' 34' ' ' LEU . 41.2 m -88.19 105.01 17.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.879 -0.6 . . . . 54.509999999999998 109.583 -170.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -111.61 99.94 8.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 123.796 0.838 . . . . 75.409999999999997 109.359 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 73.75 -61.07 0.51 Allowed 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.591 1.556 . . . . 61.32 112.663 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.51 117.35 4.78 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 74.420000000000002 111.609 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.4 t -72.01 -14.28 61.84 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.075 0.95 . . . . 73.230000000000004 111.665 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 m -54.26 -37.45 64.7 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.065 0.946 . . . . 73.040000000000006 111.886 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.05 -28.53 65.53 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.803 0.441 . . . . 43.219999999999999 110.855 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' HD21 ' A' ' 49' ' ' LEU . 41.0 mt-10 -78.8 -40.43 33.03 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.869 0.868 . . . . 72.140000000000001 111.073 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.22 -34.7 55.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.762 0.425 . . . . 73.239999999999995 111.237 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 94' ' ' LEU . 52.1 mt -64.09 -39.06 93.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.384 0.673 . . . . 64.109999999999999 109.855 174.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -52.29 -38.01 57.18 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.479 1.112 . . . . 70.040000000000006 113.022 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -61.36 -41.17 96.63 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.619 0.768 . . . . 75.140000000000001 110.682 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -73.83 -30.51 62.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.415 0.686 . . . . 74.239999999999995 112.009 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 97' ' ' LEU . 1.9 mp -63.52 -54.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 123.211 0.319 . . . . 72.319999999999993 110.43 171.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.2 ptpt -67.39 -20.33 65.53 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.328 0.492 . . . . 73.329999999999998 112.328 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.71 -20.0 65.38 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.424 1.089 . . . . 72.140000000000001 111.797 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -75.84 -16.65 60.04 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.11 0.564 . . . . 74.549999999999997 112.2 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.55 20.09 2.98 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 114.623 0.609 . . . . 43.020000000000003 114.623 171.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.6 pt? -126.98 173.56 9.55 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.949 0.9 . . . . 72.400000000000006 110.044 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -92.61 150.41 20.73 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.685 0.394 . . . . 74.439999999999998 110.526 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 73.1 t -118.8 130.56 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.917 0.887 . . . . 75.120000000000005 109.593 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HB2' HG22 ' A' ' 7' ' ' VAL . 2.1 m-85 -104.38 144.39 31.71 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 106.725 -1.583 . . . . 53.130000000000003 106.725 171.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -119.75 136.53 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.445 -0.946 . . . . 62.109999999999999 108.445 176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HB2' HG13 ' A' ' 9' ' ' ILE . 53.6 mt -107.71 103.07 12.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.833 -1.173 . . . . 43.210000000000001 107.833 165.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.1 OUTLIER -84.69 128.93 34.85 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 106.906 -1.516 . . . . 73.310000000000002 106.906 -175.064 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -125.94 120.07 29.42 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.299 -0.63 . . . . 64.340000000000003 109.299 171.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 23.7 t70 -135.56 150.08 49.62 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.64 1.176 . . . . 63.210000000000001 108.066 175.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -75.3 -9.41 58.53 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.897 0.479 . . . . 63.109999999999999 112.291 -173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -120.47 108.94 14.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 107.821 -1.177 . . . . 62.530000000000001 107.821 174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.0 pt-20 -62.81 -14.15 41.94 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.111 1.152 . . . . 75.420000000000002 114.111 -173.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -84.47 -47.89 10.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.727 0.411 . . . . 74.209999999999994 110.273 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.5 -35.91 82.03 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.719 0.807 . . . . 73.109999999999999 109.809 173.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 45.3 tp -56.17 -56.42 21.09 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.352 1.461 . . . . 54.039999999999999 110.866 170.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' A' ' 46' ' ' ILE . 4.0 tp10 -60.56 -35.38 75.91 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.151 0.907 . . . . 74.25 110.692 -172.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 64.9 mm-40 -68.64 -46.93 67.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.462 0.705 . . . . 73.019999999999996 110.937 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -57.26 -39.95 76.65 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.193 0.997 . . . . 64.120000000000005 110.307 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.504 HG23 ' HB ' ' A' ' 56' ' ' VAL . 97.2 mt -56.96 -54.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 113.737 -1.574 . . . . 75.530000000000001 110.328 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.3 mm-40 -61.21 -34.11 74.57 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.819 0.699 . . . . 71.430000000000007 110.974 -174.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 28.1 mmtp -70.0 -44.84 68.53 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.385 0.428 . . . . 74.439999999999998 110.777 -178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.8 mt -67.23 -33.25 74.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.524 0.515 . . . . 54.119999999999997 111.569 175.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 38.4 mtpt -70.8 -32.96 70.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 118.084 0.402 . . . . 71.129999999999995 110.773 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.9 t -69.01 -25.43 64.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.566 0.746 . . . . 72.0 110.717 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -81.79 -14.29 56.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.725 0.81 . . . . 75.129999999999995 111.329 171.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.07 2.35 33.89 Favored Glycine 0 N--CA 1.475 1.236 0 N-CA-C 114.297 0.479 . . . . 75.109999999999999 114.297 172.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -79.6 133.25 36.42 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 117.329 0.565 . . . . 71.150000000000006 109.706 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -81.94 89.09 6.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.617 0.723 . . . . 61.420000000000002 109.236 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -94.52 147.25 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 115.528 -0.76 . . . . 61.549999999999997 110.53 -174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.49 148.79 52.34 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 123.967 0.907 . . . . 74.030000000000001 108.646 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -88.24 111.36 21.58 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.439 1.096 . . . . 72.200000000000003 108.181 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.53 155.45 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 N-CA-C 108.844 -0.799 . . . . 73.340000000000003 108.844 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.48 -46.17 9.84 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.143 0.577 . . . . 71.140000000000001 111.507 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.89 167.31 20.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.781 0.432 . . . . 41.020000000000003 110.875 -167.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 7.8 p-10 -69.84 -19.21 63.46 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.767 0.827 . . . . 74.439999999999998 112.437 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.61 -47.68 77.7 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.519 -0.549 . . . . 71.420000000000002 109.519 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.29 -38.54 91.42 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.503 0.721 . . . . 74.540000000000006 110.141 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.501 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 82.7 mt -62.43 -42.97 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.733 1.213 . . . . 54.399999999999999 112.09 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.18 -43.93 83.09 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.804 0.442 . . . . 72.230000000000004 110.876 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -29.24 61.73 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.922 -1.036 . . . . 73.200000000000003 110.556 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.545 ' O ' HG12 ' A' ' 72' ' ' ILE . 38.1 t90 -67.0 -46.13 75.47 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.052 0.941 . . . . 73.540000000000006 109.405 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.6 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -74.32 -32.95 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.625 -0.509 . . . . 71.230000000000004 109.625 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 36.8 t70 -56.63 -43.43 80.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.675 0.79 . . . . 70.540000000000006 110.851 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.1 ptpt -76.69 -36.83 57.0 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.652 -0.69 . . . . 75.530000000000001 111.082 178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -60.11 -38.72 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 CA-C-N 118.761 0.709 . . . . 60.130000000000003 110.99 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 70' ' ' ASP . 10.0 mtmp? -67.22 -34.25 77.08 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.539 0.735 . . . . 64.409999999999997 111.065 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -82.1 -36.95 27.04 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.7 1.2 . . . . 73.340000000000003 110.31 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -79.57 -36.64 37.89 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.806 1.242 . . . . 54.5 109.831 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.2 mtt85 -122.35 85.94 47.8 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.338 1.055 . . . . 74.150000000000006 109.198 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 -16.6 29.22 Favored 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.786 2.324 . . . . 75.230000000000004 112.327 174.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.01 -7.01 59.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.005 0.922 . . . . 74.439999999999998 112.987 -169.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.9 pp -138.31 125.97 22.19 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.849 0.46 . . . . 64.109999999999999 111.108 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.97 129.48 40.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.474 0.709 . . . . 74.0 109.13 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.5 t -112.34 126.92 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.407 0.683 . . . . 73.230000000000004 109.251 -174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -115.62 138.28 51.23 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.911 0.884 . . . . 74.099999999999994 109.855 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HG2' HG12 ' A' ' 69' ' ' ILE . 30.5 mtmm -96.17 126.09 41.14 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.427 -0.583 . . . . 53.119999999999997 109.427 172.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.772 HG21 HD13 ' A' ' 93' ' ' ILE . 71.3 t -117.17 92.13 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.421 1.088 . . . . 75.450000000000003 109.534 175.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.5 p -86.75 -25.05 24.89 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 122.266 -0.271 . . . . 71.209999999999994 110.858 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.81 160.08 20.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.888 0.875 . . . . 64.319999999999993 111.979 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -66.0 -40.72 91.39 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.594 1.158 . . . . 71.049999999999997 111.165 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.36 -28.94 70.04 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.419 0.287 . . . . 71.120000000000005 110.949 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.17 -33.16 67.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.282 0.633 . . . . 75.109999999999999 110.981 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.33 63.56 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.134 0.574 . . . . 64.030000000000001 112.128 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -86.8 -25.97 24.33 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.61 0.596 . . . . 74.129999999999995 112.61 167.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -49.43 66.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 108.829 -0.804 . . . . 63.130000000000003 108.829 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.772 HD13 HG21 ' A' ' 84' ' ' VAL . 14.7 pt -54.6 -31.75 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 N-CA-C 113.377 0.88 . . . . 70.25 113.377 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.473 HD11 HD22 ' A' ' 19' ' ' LEU . 85.7 mt -50.64 -50.09 55.32 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.176 0.444 . . . . 72.019999999999996 111.186 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 6.3 pt-20 -81.67 -27.59 33.97 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 110.585 -0.154 . . . . 71.109999999999999 110.585 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.642 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 28.4 t70 -70.03 -29.63 66.73 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 123.408 0.683 . . . . 74.030000000000001 111.241 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 23' ' ' ILE . 6.9 mp -66.18 -28.33 68.68 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.712 0.805 . . . . 71.010000000000005 110.623 172.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -87.51 -37.58 16.8 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.999 -1.0 . . . . 73.319999999999993 109.779 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 28.8 mmmt -84.34 -36.88 22.21 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.463 0.705 . . . . 64.030000000000001 111.603 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -79.02 94.19 5.25 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.04 -0.726 . . . . 74.109999999999999 109.04 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.94 60.31 0.4 Allowed Glycine 0 C--N 1.332 0.335 0 N-CA-C 109.309 -1.516 . . . . 55.409999999999997 109.309 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -65.6 147.44 53.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.524 0.73 . . . . 72.239999999999995 111.288 -176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 71.2 mt -71.87 -31.7 66.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.471 -0.786 . . . . 71.400000000000006 109.36 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -84.67 159.0 20.64 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.603 1.161 . . . . 74.340000000000003 111.26 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -97.39 36.95 1.4 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.688 -0.856 . . . . 71.219999999999999 108.688 162.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -57.04 -40.83 77.5 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.717 1.607 . . . . 53.310000000000002 112.308 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -68.32 84.85 0.26 Allowed 'General case' 0 CA--C 1.546 0.796 0 O-C-N 124.073 0.858 . . . . 71.25 110.613 -170.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -71.16 131.59 43.78 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.09 -0.959 . . . . 74.530000000000001 110.731 -176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.41 ' HE1' ' O ' ' A' ' 79' ' ' LEU . 17.1 m-70 -85.06 142.33 29.63 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.861 0.864 . . . . 74.150000000000006 110.757 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.7 p80 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.099 -1.445 . . . . 70.019999999999996 107.099 170.239 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.448 ' SD ' ' HA2' ' A' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 121.18 0.514 . . . . 73.140000000000001 110.488 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.38 -115.55 2.22 Favored Glycine 0 CA--C 1.504 -0.618 0 N-CA-C 110.312 -1.115 . . . . 75.510000000000005 110.312 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -70.54 98.52 1.48 Allowed 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 109.588 -0.523 . . . . 73.019999999999996 109.588 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 23.3 ttmm -126.02 128.25 47.14 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.375 -0.972 . . . . 71.129999999999995 108.375 168.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.8 pt -119.67 142.65 34.12 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 N-CA-C 108.123 -1.066 . . . . 72.120000000000005 108.123 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.59 HG13 HG21 ' A' ' 23' ' ' ILE . 45.9 mm -117.68 130.76 72.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.704 -0.85 . . . . 75.099999999999994 108.704 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.98 104.54 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.875 -1.157 . . . . 74.209999999999994 107.875 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.05 125.74 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.822 0.849 . . . . 73.340000000000003 109.355 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.56 98.7 7.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.797 -1.557 . . . . 71.129999999999995 106.797 -175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.9 t -95.19 105.1 17.01 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 108.913 -0.773 . . . . 72.129999999999995 108.913 -177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -91.27 72.73 6.2 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 114.971 -1.013 . . . . 75.129999999999995 109.735 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 t70 59.56 35.84 22.7 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-N 115.138 -0.937 . . . . 51.530000000000001 111.397 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB3' HD13 ' A' ' 16' ' ' LEU . 12.7 t70 -127.37 144.64 51.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.358 -0.839 . . . . 74.120000000000005 111.133 -177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 m -88.42 -34.48 17.51 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.099 0.96 . . . . 75.099999999999994 112.583 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m -52.92 -43.59 66.37 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.404 0.682 . . . . 75.230000000000004 112.296 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' ' 13' ' ' ASP . 5.8 mp -64.86 -28.99 69.93 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.176 0.59 . . . . 75.299999999999997 111.422 -176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.1 -39.39 49.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.165 0.986 . . . . 64.099999999999994 109.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.62 -46.87 87.95 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 115.0 -1.0 . . . . 74.329999999999998 109.816 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 15' ' ' THR . 63.9 mt -64.04 -44.37 92.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.54 1.136 . . . . 70.129999999999995 110.646 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.74 55.38 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.528 1.131 . . . . 72.310000000000002 112.863 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HD2' ' A' ' 24' ' ' LYS . 10.9 tpt180 -62.53 -31.59 72.39 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.228 1.011 . . . . 72.319999999999993 111.856 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -75.76 -39.48 57.03 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.555 0.742 . . . . 61.509999999999998 110.412 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.59 HG21 HG13 ' A' ' 6' ' ' ILE . 3.1 mp -68.26 -46.71 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 122.899 0.48 . . . . 72.219999999999999 110.874 -177.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD2' ' HD2' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -68.37 -21.87 64.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.302 0.482 . . . . 74.129999999999995 112.302 -177.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.04 -13.11 61.94 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.947 0.779 . . . . 45.140000000000001 111.772 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HG3' HD23 ' A' ' 97' ' ' LEU . 44.3 mm-40 -74.13 -4.04 33.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.631 0.772 . . . . 73.25 111.446 172.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 37.49 14.08 Favored Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.592 -1.003 . . . . 71.340000000000003 110.592 -170.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.635 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 16.8 mt -107.36 144.38 34.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.424 0.689 . . . . 72.439999999999998 109.298 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -85.68 108.31 17.97 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.689 0.796 . . . . 72.230000000000004 108.891 172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.8 t -102.13 131.0 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.472 0.709 . . . . 65.400000000000006 109.727 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -103.39 133.55 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.831 1.253 . . . . 74.219999999999999 107.743 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.5 mm -114.49 119.12 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 108.469 -0.938 . . . . 73.109999999999999 108.469 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD13 HG11 ' A' ' 59' ' ' VAL . 24.3 mt -92.84 98.63 11.51 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.024 -1.102 . . . . 64.109999999999999 108.024 173.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -90.05 129.65 36.33 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.717 -1.216 . . . . 70.129999999999995 107.717 -174.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -127.48 124.66 38.86 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.824 -0.806 . . . . 74.109999999999999 108.824 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 29.9 t70 -133.35 161.75 33.67 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 124.361 1.064 . . . . 61.340000000000003 108.159 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.89 -24.51 63.41 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.8 0.84 . . . . 74.239999999999995 111.226 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -125.69 115.77 20.62 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.097 0.959 . . . . 75.319999999999993 109.934 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 46.3 mt-10 -56.75 -22.91 39.0 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.473 1.286 . . . . 75.209999999999994 114.473 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 7.5 tmtt? -72.48 -57.74 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.26 -1.015 . . . . 74.519999999999996 108.26 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.25 -38.05 82.27 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.507 0.723 . . . . 70.319999999999993 110.889 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 31.5 tp -53.9 -48.97 69.6 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.253 1.421 . . . . 70.510000000000005 111.527 174.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.1 tt0 -74.3 -24.89 59.3 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.762 -0.653 . . . . 74.409999999999997 110.93 -174.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 49.2 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.236 -0.653 . . . . 74.319999999999993 109.236 173.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -60.48 -40.79 92.55 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.784 -1.098 . . . . 62.32 111.039 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG23 ' HB ' ' A' ' 56' ' ' VAL . 69.4 mt -53.01 -49.74 48.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.386 1.074 . . . . 74.329999999999998 110.239 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.054 0.541 . . . . 73.450000000000003 111.964 -177.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -59.68 -42.11 92.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.699 0.799 . . . . 74.409999999999997 111.406 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' A' ' 56' ' ' VAL . 72.6 mt -73.59 -35.56 65.44 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.449 -0.796 . . . . 64.340000000000003 111.649 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.05 -23.7 65.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.831 0.453 . . . . 74.409999999999997 111.935 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.3 t -61.86 -29.07 69.94 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.056 0.543 . . . . 73.319999999999993 111.262 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -94.81 18.41 11.81 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.804 0.841 . . . . 73.549999999999997 111.158 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.77 73.39 Favored Glycine 0 C--N 1.35 1.326 0 CA-C-O 119.265 -0.742 . . . . 62.149999999999999 114.796 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -67.15 127.92 34.43 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 117.695 0.748 . . . . 72.450000000000003 109.696 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.33 91.1 7.25 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.257 -1.016 . . . . 72.519999999999996 108.257 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.7 t -93.65 139.41 18.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.12 -0.945 . . . . 74.319999999999993 110.193 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.03 146.95 50.17 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 123.809 0.843 . . . . 74.430000000000007 109.249 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' HG3' HD21 ' A' ' 42' ' ' LEU . 39.9 ttmt -87.14 120.9 28.89 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.703 -1.221 . . . . 75.019999999999996 107.703 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 33' ' ' LEU . 10.4 m -119.96 149.54 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.926 0.89 . . . . 64.409999999999997 109.625 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.42 -58.75 3.09 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.765 0.666 . . . . 64.400000000000006 110.916 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -165.88 -167.36 1.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.556 -0.905 . . . . 65.319999999999993 108.556 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 1.4 m-20 -64.0 -24.9 67.89 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 123.93 0.892 . . . . 70.019999999999996 112.053 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.22 -56.71 16.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.301 1.041 . . . . 73.120000000000005 109.819 169.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.01 -30.08 64.86 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.678 -1.146 . . . . 70.109999999999999 110.799 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 69.7 mt -68.78 -53.67 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.77 1.228 . . . . 74.299999999999997 111.449 -178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.12 -35.51 73.58 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.994 0.518 . . . . 71.120000000000005 110.806 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.2 -24.63 54.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.109 -0.951 . . . . 72.25 110.901 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.534 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 23.6 t90 -72.24 -40.37 67.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.056 0.542 . . . . 74.219999999999999 110.274 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' HB2' ' A' ' 83' ' ' LYS . 2.0 mp -68.99 -36.63 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 108.927 -0.768 . . . . 73.140000000000001 108.927 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.86 -50.14 74.33 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.725 0.81 . . . . 54.439999999999998 111.341 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 17.4 ptpt -65.99 -34.02 77.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.237 0.336 . . . . 73.120000000000005 110.685 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.6 mm -69.06 -40.26 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.931 0.892 . . . . 71.25 111.866 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -67.83 -27.08 66.41 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.979 0.419 . . . . 65.540000000000006 110.171 173.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -82.68 -22.84 34.42 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.163 0.985 . . . . 74.230000000000004 110.74 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 20.8 mm-40 -78.28 -49.61 13.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 109.1 -0.704 . . . . 70.109999999999999 109.1 171.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HD2' HD21 ' A' ' 79' ' ' LEU . 39.0 mtt180 -134.39 96.58 15.32 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.058 0.943 . . . . 72.040000000000006 108.938 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -88.36 12.2 2.88 Favored 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.954 2.436 . . . . 70.439999999999998 112.235 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -104.47 7.76 35.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.196 0.998 . . . . 73.430000000000007 111.576 -172.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.526 HD21 ' HD2' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -134.67 163.99 28.53 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.202 0.601 . . . . 72.310000000000002 112.111 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 6.9 mm-40 -72.99 130.4 40.25 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.76 -1.109 . . . . 74.209999999999994 109.096 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.5 t -125.57 107.09 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 108.064 -1.087 . . . . 75.230000000000004 108.064 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HG2' HG21 ' A' ' 93' ' ' ILE . 23.1 tpp180 -109.37 105.82 15.35 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.247 -0.649 . . . . 63.450000000000003 109.247 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' HB2' HG12 ' A' ' 69' ' ' ILE . 40.5 ttpt -72.63 120.25 17.98 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 108.542 -0.91 . . . . 72.019999999999996 108.542 169.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 72.8 t -116.49 92.39 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.509 1.124 . . . . 45.020000000000003 108.646 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -70.97 -43.89 67.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.602 0.761 . . . . 70.340000000000003 111.406 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.436 ' H ' ' NE2' ' A' ' 89' ' ' GLN . 14.6 t70 -115.27 152.12 33.3 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 73.349999999999994 110.378 -174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.46 -34.14 68.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.793 1.237 . . . . 73.140000000000001 113.084 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.04 -37.16 68.86 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.502 1.121 . . . . 73.230000000000004 110.717 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' HB2' HG13 ' A' ' 84' ' ' VAL . 16.3 mt-30 -73.92 -33.91 64.16 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.561 -1.2 . . . . 70.340000000000003 110.366 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -70.5 -26.07 63.43 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.149 0.5 . . . . 55.149999999999999 111.487 175.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -79.07 -33.13 44.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.768 0.827 . . . . 61.310000000000002 111.193 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -78.32 -36.89 45.83 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.251 0.621 . . . . 74.329999999999998 110.884 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' HD13 ' A' ' 97' ' ' LEU . 21.6 pt -65.06 -25.73 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 113.366 0.876 . . . . 62.119999999999997 113.366 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.15 -37.5 2.08 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.334 0.588 . . . . 75.439999999999998 111.258 168.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 37.6 mt-10 -86.46 -41.08 14.7 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.653 1.181 . . . . 75.409999999999997 111.846 176.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.9 t70 -50.19 -37.85 37.1 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.3 1.04 . . . . 61.119999999999997 112.946 177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.71 HD23 ' HG3' ' A' ' 26' ' ' GLU . 6.1 mp -62.99 -30.28 71.47 Favored 'General case' 0 CA--C 1.561 1.384 0 C-N-CA 125.206 1.402 . . . . 75.109999999999999 111.024 175.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -88.3 -34.37 17.7 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.591 1.156 . . . . 72.409999999999997 112.095 -178.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 14.3 mmmm -61.51 -29.54 70.05 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.202 0.601 . . . . 71.239999999999995 111.365 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -118.63 73.51 0.92 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.182 -1.414 . . . . 75.040000000000006 107.182 168.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' HA2' ' SD ' ' A' ' 1' ' ' MET . . . -110.16 -84.8 1.56 Allowed Glycine 0 C--N 1.344 1.019 0 CA-C-N 116.132 -0.486 . . . . 73.409999999999997 113.02 -173.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -76.99 3.29 12.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.031 0.932 . . . . 71.319999999999993 113.417 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.77 -77.31 0.13 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.534 -0.914 . . . . 62.25 108.534 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.62 63.82 0.61 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.231 1.013 . . . . 75.549999999999997 109.363 -177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -78.56 79.12 5.0 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.528 -0.76 . . . . 74.310000000000002 111.194 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -80.57 -1.55 42.51 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.458 0.703 . . . . 71.400000000000006 109.513 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -40.71 109.66 0.12 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.984 1.714 . . . . 73.25 109.419 162.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.86 -22.86 65.88 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.664 0.987 . . . . 62.210000000000001 113.664 -163.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 68.72 119.17 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.465 1.106 . . . . 74.299999999999997 112.561 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.002 0.921 . . . . 73.319999999999993 109.195 174.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 119.79 -0.147 . . . . 74.099999999999994 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.84 45.39 4.86 Favored Glycine 0 C--N 1.345 1.075 0 N-CA-C 110.433 -1.067 . . . . 60.219999999999999 110.433 -166.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -71.38 177.78 3.77 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.018 0.927 . . . . 73.430000000000007 110.917 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HD3' ' HB2' ' A' ' 80' ' ' GLU . 11.8 tppt? -132.94 133.54 43.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.705 -0.85 . . . . 71.349999999999994 108.705 176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.66 145.91 34.97 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 N-CA-C 107.163 -1.421 . . . . 74.099999999999994 107.163 159.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.3 mm -114.42 138.26 45.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 108.334 -0.987 . . . . 61.140000000000001 108.334 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' A' ' 69' ' ' ILE . 40.2 t -116.67 111.89 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 108.275 -1.009 . . . . 74.530000000000001 108.275 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.5 mt -109.29 126.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 123.174 0.59 . . . . 54.409999999999997 109.947 -175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -94.7 91.91 3.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 N-CA-C 106.359 -1.719 . . . . 74.319999999999993 106.359 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -81.06 102.06 9.98 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.914 -1.143 . . . . 54.32 107.914 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 m -107.61 83.95 1.88 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.239 -0.891 . . . . 74.510000000000005 109.936 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 78.69 -53.08 0.47 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.179 1.392 . . . . 74.120000000000005 112.149 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.08 149.09 43.42 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.258 0.623 . . . . 71.120000000000005 111.329 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -101.14 -14.45 17.75 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.046 0.758 . . . . 65.329999999999998 113.046 -169.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -24.88 67.35 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.68 0.392 . . . . 51.340000000000003 111.603 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.89 -31.72 72.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.99 0.516 . . . . 74.0 110.103 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.98 -32.19 30.77 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.709 1.203 . . . . 74.109999999999999 110.161 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.26 -49.24 72.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.654 1.182 . . . . 73.030000000000001 109.851 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.57 -36.39 78.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.999 -1.0 . . . . 54.119999999999997 110.535 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -54.37 -36.94 64.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.389 1.076 . . . . 70.230000000000004 112.811 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -73.97 -32.48 63.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.384 0.674 . . . . 73.420000000000002 110.76 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -73.96 -31.53 63.06 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.421 0.688 . . . . 54.32 110.816 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' ALA . 93.9 mt -66.24 -60.13 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.815 0.846 . . . . 73.040000000000006 110.519 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HB3' HG23 ' A' ' 30' ' ' VAL . 11.0 ptpt -63.41 -17.78 63.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.421 0.897 . . . . 71.209999999999994 113.421 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.17 -20.6 42.27 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.178 0.991 . . . . 72.340000000000003 112.802 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.97 -2.71 28.39 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.44 0.696 . . . . 63.039999999999999 112.082 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.25 35.19 5.09 Favored Glycine 0 C--N 1.346 1.09 0 C-N-CA 123.023 0.344 . . . . 64.319999999999993 112.836 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.45 164.52 20.96 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.58 0.752 . . . . 73.540000000000006 109.883 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -90.58 146.4 24.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.742 0.417 . . . . 72.219999999999999 110.524 173.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 24' ' ' LYS . 74.0 t -122.07 128.1 75.48 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 123.69 0.796 . . . . 65.219999999999999 108.999 170.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.03 113.6 27.25 Favored 'General case' 0 C--N 1.337 0.054 0 N-CA-C 107.623 -1.251 . . . . 71.349999999999994 107.623 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.7 mm -89.33 117.6 32.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.793 -0.817 . . . . 71.209999999999994 108.793 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 59' ' ' VAL . 25.8 mt -87.83 105.58 17.51 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.221 -1.029 . . . . 73.230000000000004 108.221 172.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 121.11 32.86 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.059 -1.089 . . . . 71.439999999999998 108.059 -177.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.4 ptmm? -126.9 118.71 25.1 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.733 -1.21 . . . . 75.349999999999994 107.733 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 14.0 t70 -134.23 167.63 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.052 -0.976 . . . . 71.319999999999993 108.793 -174.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -70.35 -35.49 73.6 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 122.865 0.466 . . . . 51.039999999999999 110.773 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -117.99 179.2 4.16 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.466 0.706 . . . . 72.310000000000002 112.759 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.56 -58.97 2.04 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.96 0.904 . . . . 54.409999999999997 111.344 -174.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 43' ' ' GLU . 22.7 ttmm -73.5 -30.13 62.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.866 0.467 . . . . 53.310000000000002 111.675 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.37 -44.42 87.68 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 108.982 -0.747 . . . . 74.409999999999997 108.982 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 5.4 tt -61.71 -44.58 96.65 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.495 1.118 . . . . 75.120000000000005 112.896 168.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 7.3 tt0 -50.46 -53.06 32.56 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 125.344 1.458 . . . . 60.25 112.327 -174.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.63 -34.66 67.48 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 115.777 -0.647 . . . . 75.430000000000007 110.348 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -46.41 85.2 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.011 0.924 . . . . 74.530000000000001 111.328 174.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.57 HG23 ' HB ' ' A' ' 56' ' ' VAL . 13.8 mt -50.5 -48.81 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.154 0.908 . . . . 73.299999999999997 110.203 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -74.57 -31.08 61.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.295 -0.866 . . . . 73.120000000000005 112.177 -173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -66.62 -36.24 82.12 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.174 0.511 . . . . 71.430000000000007 110.792 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HB2' HG21 ' A' ' 56' ' ' VAL . 95.2 mt -77.42 -43.03 33.94 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.356 -0.838 . . . . 32.310000000000002 111.39 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -66.62 -24.72 66.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 111.77 0.285 . . . . 73.25 111.77 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -59.95 -30.88 69.38 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.756 0.823 . . . . 60.520000000000003 111.712 169.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.458 HE21 ' HA ' ' A' ' 49' ' ' LEU . 43.1 mt-30 -86.08 5.34 34.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.824 0.85 . . . . 72.25 111.275 176.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.13 2.73 56.89 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 119.521 -0.599 . . . . 75.109999999999999 114.105 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -77.32 167.02 22.41 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 117.629 0.714 . . . . 64.209999999999994 111.825 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -117.44 110.52 18.11 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.776 -1.194 . . . . 73.349999999999994 107.776 165.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 49' ' ' LEU . 24.3 t -111.62 127.27 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.351 0.66 . . . . 63.009999999999998 109.545 -173.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 25.8 mmm180 -120.22 144.87 47.5 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.003 0.921 . . . . 74.400000000000006 109.825 -173.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HE3' HD13 ' A' ' 42' ' ' LEU . 2.7 tmtp? -83.36 123.12 29.34 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.379 -0.971 . . . . 64.319999999999993 108.379 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 33' ' ' LEU . 18.7 m -122.54 157.23 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.204 0.602 . . . . 42.420000000000002 109.916 174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -79.03 -73.51 0.33 Allowed 'General case' 0 C--O 1.242 0.703 0 CA-C-N 115.703 -0.681 . . . . 64.200000000000003 109.681 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -154.81 -163.89 1.68 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 108.397 -0.964 . . . . 65.439999999999998 108.397 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.892 0.877 . . . . 75.409999999999997 112.186 -169.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -55.77 -51.87 65.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.891 0.877 . . . . 74.140000000000001 110.627 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.77 -31.1 63.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.96 0.904 . . . . 43.32 110.608 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 85.4 mt -65.0 -55.4 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.223 1.009 . . . . 53.039999999999999 111.284 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.91 -35.83 81.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.624 0.37 . . . . 63.210000000000001 111.075 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -71.43 -32.58 68.54 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 73.019999999999996 110.821 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.437 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.7 t90 -63.54 -41.9 98.43 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.399 0.679 . . . . 75.319999999999993 109.665 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.697 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -75.23 -33.4 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 122.994 0.517 . . . . 73.120000000000005 109.936 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 21.3 t70 -62.67 -37.55 86.86 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.211 -0.904 . . . . 73.230000000000004 111.354 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -72.76 -37.69 67.59 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 118.697 -0.668 . . . . 53.340000000000003 111.073 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 68' ' ' TRP . 31.7 mm -63.51 -39.47 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-N 118.411 0.551 . . . . 51.210000000000001 111.275 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 53.6 mtmt -62.82 -37.06 85.24 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.77 -0.65 . . . . 74.400000000000006 110.676 176.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -76.73 -44.85 31.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.648 0.779 . . . . 71.329999999999998 110.975 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.66 -47.02 79.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.97 0.908 . . . . 65.310000000000002 110.137 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -125.03 90.13 51.52 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 114.866 -1.061 . . . . 74.340000000000003 110.09 -170.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.56 -7.85 17.94 Favored 'Trans proline' 0 C--N 1.37 1.701 0 C-N-CA 122.697 2.265 . . . . 73.109999999999999 112.978 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -82.11 -8.9 59.67 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.786 0.661 . . . . 72.310000000000002 112.786 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -124.64 160.36 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.063 0.545 . . . . 60.130000000000003 111.779 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 60.9 mm-40 -93.18 139.25 30.8 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.096 0.958 . . . . 74.129999999999995 108.516 173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -120.7 119.34 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 109.57 -0.53 . . . . 72.430000000000007 109.57 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.9 tpp180 -111.92 133.95 53.79 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.646 0.779 . . . . 72.329999999999998 109.904 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.697 ' HG2' HG12 ' A' ' 69' ' ' ILE . 24.0 mtmm -94.0 113.24 25.19 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.717 -0.846 . . . . 72.549999999999997 108.717 170.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 90' ' ' ALA . 87.8 t -110.7 91.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.984 -0.747 . . . . 63.210000000000001 108.984 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.415 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 44.9 p -87.63 -21.85 25.07 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.787 0.327 . . . . 74.120000000000005 110.751 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.4 147.87 38.56 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.842 0.857 . . . . 71.140000000000001 110.831 -177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -51.91 -42.02 62.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.289 1.036 . . . . 72.430000000000007 110.818 167.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.38 -40.22 74.25 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.349 1.06 . . . . 62.299999999999997 112.081 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -69.12 -35.25 76.2 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.094 -0.503 . . . . 74.150000000000006 111.122 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.65 -31.25 71.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.181 0.592 . . . . 73.420000000000002 111.497 174.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -74.91 -33.77 62.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.698 0.799 . . . . 74.040000000000006 110.743 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -75.06 -41.63 58.59 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.785 -0.643 . . . . 71.519999999999996 110.853 -175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.54 HG21 ' HG2' ' A' ' 82' ' ' ARG . 19.9 pt -69.64 -22.54 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 113.343 0.868 . . . . 55.43 113.343 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.0 mt -51.96 -27.97 15.05 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.506 0.323 . . . . 71.329999999999998 111.016 166.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 7.6 mm-40 -84.95 -53.13 5.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.927 0.891 . . . . 64.420000000000002 111.065 169.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.503 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.2 t70 -44.9 -43.98 9.31 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 125.107 1.363 . . . . 65.040000000000006 113.9 -175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.13 -39.69 87.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.086 0.954 . . . . 62.020000000000003 111.497 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -76.28 -41.61 48.26 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.136 -0.938 . . . . 71.230000000000004 110.165 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 11.4 mmpt? -67.29 -17.72 64.9 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 114.82 -1.082 . . . . 73.219999999999999 113.002 -172.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 55.9 tptt 58.56 53.53 6.06 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 106.098 -1.816 . . . . 73.439999999999998 106.098 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 135.24 37.29 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 113.813 -1.539 . . . . 73.129999999999995 114.822 -162.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.5 m -103.71 30.11 5.3 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.172 0.989 . . . . 72.349999999999994 109.777 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' HB2' HH22 ' A' ' 82' ' ' ARG . 3.3 mm? -68.64 -40.76 80.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.395 0.678 . . . . 73.209999999999994 109.365 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -92.16 87.02 5.95 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.114 -1.069 . . . . 70.329999999999998 108.114 168.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -147.24 37.67 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.303 -1.369 . . . . 74.030000000000001 107.303 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -76.41 74.19 3.17 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.597 1.189 . . . . 74.299999999999997 110.162 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.23 174.09 10.93 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 125.366 1.466 . . . . 64.239999999999995 107.804 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 63.02 33.52 14.69 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 123.691 0.796 . . . . 75.219999999999999 110.816 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -157.94 175.99 13.13 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.751 -0.659 . . . . 71.329999999999998 110.062 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.8 t60 . . . . . 0 C--O 1.248 0.987 0 N-CA-C 108.498 -0.927 . . . . 72.549999999999997 108.498 172.124 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.376 -0.601 . . . . 62.229999999999997 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.2 52.74 2.17 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.848 -0.615 . . . . 73.120000000000005 111.683 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -114.83 167.66 10.58 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.265 0.626 . . . . 70.239999999999995 111.332 -174.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HD3' ' HG3' ' A' ' 80' ' ' GLU . 18.4 ttpt -144.97 145.45 31.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.878 1.271 . . . . 55.549999999999997 108.555 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.425 HG12 HD13 ' A' ' 79' ' ' LEU . 24.2 pt -115.39 152.27 17.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.843 0 N-CA-C 108.945 -0.761 . . . . 64.209999999999994 108.945 170.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm -114.05 143.37 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.613 -0.721 . . . . 74.239999999999995 109.564 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 69' ' ' ILE . 72.8 t -119.21 115.15 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 107.795 -1.187 . . . . 53.210000000000001 107.795 171.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.611 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 49.2 mt -105.4 124.16 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 109.657 -0.498 . . . . 74.140000000000001 109.657 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -95.71 98.46 7.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 105.642 -1.984 . . . . 70.5 105.642 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 p -114.35 132.28 56.25 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.577 0.704 . . . . 74.420000000000002 111.038 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.535 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 79.3 p -132.73 123.7 26.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.208 -1.36 . . . . 71.329999999999998 109.801 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.78 -69.79 0.16 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.984 1.313 . . . . 73.140000000000001 113.462 172.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.02 138.66 46.1 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.73 1.212 . . . . 51.329999999999998 112.247 -171.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -74.57 -26.81 60.18 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.1 0.96 . . . . 74.099999999999994 113.198 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 m -56.12 -40.36 73.64 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.304 0.502 . . . . 63.210000000000001 112.354 -171.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.2 -32.53 66.86 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.266 0.555 . . . . 72.209999999999994 110.144 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 49' ' ' LEU . 48.1 mt-10 -67.56 -49.43 63.24 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.824 1.25 . . . . 72.430000000000007 111.061 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.14 -25.77 52.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.243 0.617 . . . . 73.310000000000002 112.206 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.6 -33.45 72.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.924 0.489 . . . . 75.109999999999999 110.495 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.57 -32.37 50.57 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.002 0.921 . . . . 74.439999999999998 112.299 176.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -69.96 -30.83 68.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.57 0.748 . . . . 64.450000000000003 111.224 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -69.97 -45.27 67.72 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 122.953 0.501 . . . . 50.100000000000001 110.137 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.59 -52.08 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.251 0.62 . . . . 72.329999999999998 111.518 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 54' ' ' PHE . 14.3 ptmm? -56.83 -21.68 30.83 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.7 0.8 . . . . 62.25 112.607 -172.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.17 -29.7 61.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.567 1.147 . . . . 74.349999999999994 111.743 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.84 -18.99 65.0 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.585 0.754 . . . . 54.520000000000003 112.101 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.83 41.8 1.78 Allowed Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.618 0.628 . . . . 74.400000000000006 112.651 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -126.87 151.75 47.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.587 0.355 . . . . 70.319999999999993 110.933 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.27 122.42 21.95 Favored 'General case' 0 C--O 1.242 0.68 0 O-C-N 124.255 0.972 . . . . 71.329999999999998 108.546 167.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.06 129.1 53.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 108.391 -0.966 . . . . 73.400000000000006 108.391 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG22 ' A' ' 7' ' ' VAL . 57.8 m-85 -104.2 132.9 49.97 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.383 -1.34 . . . . 73.329999999999998 107.383 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 56' ' ' VAL . 28.3 mm -114.69 120.47 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.421 -0.955 . . . . 72.409999999999997 108.421 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 59' ' ' VAL . 34.3 mt -95.71 101.98 13.73 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.013 -1.106 . . . . 63.450000000000003 108.013 170.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.88 140.97 28.96 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 107.897 -1.149 . . . . 72.010000000000005 107.897 -175.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 11' ' ' SER . 17.4 ptpt -141.09 120.98 13.55 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 108.77 -0.826 . . . . 75.5 108.77 173.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -129.4 155.39 45.76 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 108.656 -0.868 . . . . 43.149999999999999 108.656 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -54.27 -37.19 64.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 60.039999999999999 110.685 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.73 130.61 56.43 Favored 'General case' 0 C--O 1.248 0.999 0 N-CA-C 108.759 -0.83 . . . . 71.120000000000005 108.759 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG3' HD23 ' A' ' 42' ' ' LEU . 21.4 tt0 -61.7 -13.71 25.3 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.126 1.158 . . . . 73.340000000000003 114.126 -177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.04 -59.87 2.52 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.993 0.36 . . . . 63.329999999999998 111.193 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -68.75 -24.74 64.49 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.276 0.63 . . . . 72.319999999999993 110.535 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD23 ' HG3' ' A' ' 39' ' ' GLU . 30.5 tp -54.79 -58.34 7.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.665 -1.152 . . . . 73.0 110.782 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 37.5 tt0 -69.9 -28.26 65.47 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.466 0.479 . . . . 75.400000000000006 111.279 -175.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -60.83 -49.76 76.17 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.393 0.615 . . . . 70.040000000000006 109.512 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -42.89 92.9 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.088 -1.415 . . . . 75.0 110.45 -178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' HA ' HG11 ' A' ' 56' ' ' VAL . 84.0 mt -57.83 -50.76 76.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 114.661 -1.154 . . . . 74.219999999999999 110.925 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 24.4 mm-40 -66.89 -37.53 84.56 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.13 0.269 . . . . 65.0 111.307 -176.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -65.24 -34.61 78.77 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.346 0.658 . . . . 74.239999999999995 112.183 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.1 mt -81.16 -32.86 33.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.822 0.449 . . . . 62.140000000000001 111.137 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -69.44 -28.08 65.81 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 122.159 -0.338 . . . . 74.310000000000002 110.411 173.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.4 t -63.62 -31.22 72.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.865 0.866 . . . . 74.310000000000002 111.035 170.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.6 mt-30 -88.9 14.44 10.41 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.64 0.776 . . . . 75.530000000000001 111.488 175.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.55 51.0 13.12 Favored Glycine 0 C--N 1.352 1.426 0 O-C-N 123.404 0.44 . . . . 40.229999999999997 113.26 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 51.1 m-85 -127.35 142.34 51.47 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.818 0.847 . . . . 74.310000000000002 109.109 175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.59 83.17 8.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.993 -0.743 . . . . 65.420000000000002 108.993 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.0 t -92.49 136.77 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 114.818 -1.083 . . . . 42.210000000000001 110.039 -174.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 19.1 mmt180 -138.57 152.34 48.1 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.371 1.068 . . . . 74.439999999999998 110.804 -172.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' HD21 ' A' ' 42' ' ' LEU . 40.1 ttmt -94.83 128.19 41.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 114.14 -1.391 . . . . 71.510000000000005 109.122 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 33' ' ' LEU . 6.9 m -116.79 150.99 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-O 121.447 0.642 . . . . 75.140000000000001 110.795 178.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -77.27 -46.74 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.667 -1.151 . . . . 72.25 110.648 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -172.02 -174.96 1.38 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.748 0.819 . . . . 73.200000000000003 109.519 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.51 -35.58 80.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.025 0.75 . . . . 60.109999999999999 113.025 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -58.82 -44.31 90.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.698 0.624 . . . . 74.129999999999995 109.405 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -67.06 -33.58 75.83 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.207 -0.906 . . . . 72.409999999999997 111.292 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.5 -50.55 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.888 0.875 . . . . 64.230000000000004 111.324 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.13 -37.42 80.02 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 117.818 0.281 . . . . 75.349999999999994 111.607 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -70.25 -31.19 68.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.477 0.711 . . . . 71.510000000000005 111.008 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.493 ' O ' HG12 ' A' ' 72' ' ' ILE . 25.9 t90 -68.77 -49.22 60.46 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 75.420000000000002 110.274 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.664 HD11 HG11 ' A' ' 7' ' ' VAL . 2.1 mp -72.63 -31.4 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.912 0.485 . . . . 61.420000000000002 110.477 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.94 -47.12 52.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.485 1.114 . . . . 63.100000000000001 111.59 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -78.18 -30.79 49.24 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.415 -0.811 . . . . 72.109999999999999 111.728 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.9 mm -62.18 -42.52 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.177 0.591 . . . . 71.120000000000005 110.728 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -67.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.131 -0.941 . . . . 72.140000000000001 111.104 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -78.19 -43.22 29.17 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.77 0.828 . . . . 72.019999999999996 110.577 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.27 -40.85 94.46 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.105 0.962 . . . . 62.140000000000001 110.434 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.424 ' HD3' HD21 ' A' ' 79' ' ' LEU . 52.1 mtt180 -123.97 82.78 55.68 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.87 0.868 . . . . 54.100000000000001 109.634 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.57 -14.71 11.4 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.936 2.424 . . . . 74.530000000000001 113.714 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -89.86 -5.6 56.68 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.684 0.394 . . . . 75.420000000000002 111.934 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD13 HG12 ' A' ' 5' ' ' ILE . 3.5 pp -123.53 150.81 43.53 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.808 -0.812 . . . . 53.439999999999998 108.808 171.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' HD3' ' A' ' 4' ' ' LYS . 9.4 pt-20 -99.25 155.88 17.27 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.986 0.515 . . . . 75.140000000000001 111.363 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -122.99 136.82 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.271 1.028 . . . . 71.439999999999998 109.779 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -127.43 119.14 25.47 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.328 0.651 . . . . 71.230000000000004 109.945 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG2' HG12 ' A' ' 69' ' ' ILE . 40.5 mtmt -75.37 135.98 40.81 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.127 0.571 . . . . 74.129999999999995 110.625 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 57.1 t -120.92 95.98 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 124.165 0.986 . . . . 42.420000000000002 110.989 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.5 p -81.47 -30.95 33.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.136 0.574 . . . . 73.209999999999994 111.425 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 18.6 m-20 -116.15 157.41 24.84 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.382 0.673 . . . . 65.230000000000004 111.703 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -50.56 -45.75 57.26 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.289 1.036 . . . . 71.209999999999994 111.088 167.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.52 -20.83 61.99 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.512 -0.767 . . . . 74.319999999999993 112.129 -176.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.9 mm100 -70.72 -40.92 72.5 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 109.315 -0.624 . . . . 70.109999999999999 109.315 169.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.502 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -68.84 -27.11 65.54 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.413 0.685 . . . . 72.319999999999993 112.14 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -78.47 -33.79 48.08 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.618 0.767 . . . . 73.420000000000002 110.303 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -71.29 -47.39 57.13 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.467 0.307 . . . . 74.299999999999997 110.243 -178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 27.4 pt -59.72 -31.85 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.025 0.75 . . . . 74.5 113.025 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -49.89 -43.32 49.34 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.016 0.526 . . . . 72.420000000000002 110.632 169.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.18 -32.41 26.61 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.96 1.304 . . . . 44.439999999999998 110.49 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 38.8 t70 -73.56 -27.88 61.56 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.654 0.782 . . . . 74.430000000000007 111.596 -172.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.2 mp -72.75 -18.02 61.54 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 120.914 0.388 . . . . 75.340000000000003 110.372 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -88.06 -31.04 19.47 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.733 0.813 . . . . 72.150000000000006 110.388 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -88.39 -76.33 0.4 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.914 0.486 . . . . 61.229999999999997 109.901 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -75.69 85.57 2.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.159 0.983 . . . . 75.310000000000002 110.516 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -146.8 66.28 0.41 Allowed Glycine 0 C--N 1.333 0.391 0 N-CA-C 109.09 -1.604 . . . . 54.409999999999997 109.09 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.7 p 51.81 73.25 0.33 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.659 1.583 . . . . 75.420000000000002 112.203 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.37 -7.02 54.12 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 115.191 -0.913 . . . . 62.100000000000001 110.648 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.52 125.71 27.89 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 125.534 1.534 . . . . 75.120000000000005 108.354 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.0 -30.37 67.68 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 121.388 0.613 . . . . 60.100000000000001 109.425 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -154.96 115.11 3.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.953 1.301 . . . . 73.0 107.815 169.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -64.8 -32.42 74.1 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.376 1.071 . . . . 64.099999999999994 112.32 -173.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -151.04 129.43 12.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.401 0.68 . . . . 75.409999999999997 109.668 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -79.5 -26.21 41.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.119 0.568 . . . . 75.340000000000003 110.371 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.8 t60 . . . . . 0 C--O 1.251 1.135 0 N-CA-C 107.043 -1.466 . . . . 74.209999999999994 107.043 176.628 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.567 0.223 . . . . 63.420000000000002 110.401 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.33 68.76 0.24 Allowed Glycine 0 C--N 1.34 0.79 0 N-CA-C 109.878 -1.289 . . . . 53.109999999999999 109.878 172.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -62.27 141.24 58.35 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.473 0.709 . . . . 62.299999999999997 112.279 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -137.74 140.92 40.93 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.128 0.971 . . . . 64.25 108.761 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 81' ' ' VAL . 43.7 pt -128.2 157.45 40.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.951 0 N-CA-C 108.377 -0.972 . . . . 71.5 108.377 166.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mm -123.59 138.43 53.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.967 -0.753 . . . . 71.349999999999994 108.967 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' A' ' 31' ' ' TYR . 72.6 t -117.27 113.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 N-CA-C 107.186 -1.413 . . . . 70.010000000000005 107.186 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.483 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.3 mt -106.79 130.43 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 109.189 -0.671 . . . . 75.400000000000006 109.189 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -93.29 86.36 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 107.051 -1.463 . . . . 75.319999999999993 107.051 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -88.35 105.88 17.87 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.788 -0.642 . . . . 73.140000000000001 109.448 -173.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -133.42 121.38 22.18 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.325 -0.852 . . . . 74.129999999999995 109.224 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 71.98 -68.2 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.78 1.232 . . . . 71.239999999999995 112.394 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.73 154.54 38.35 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.312 1.045 . . . . 51.109999999999999 111.946 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 m -106.0 -16.63 14.57 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.262 1.025 . . . . 64.200000000000003 112.708 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -54.07 -35.76 62.41 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 118.25 0.477 . . . . 73.439999999999998 111.704 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.19 -39.92 96.02 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.7 0.8 . . . . 75.239999999999995 111.171 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.42 -43.54 85.42 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.033 1.333 . . . . 73.310000000000002 111.178 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.41 -42.46 78.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.05 -0.977 . . . . 63.109999999999999 111.528 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.91 -40.27 94.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.353 0.661 . . . . 73.450000000000003 110.403 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.03 -32.41 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.322 1.049 . . . . 44.229999999999997 112.619 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 tpt85 -64.79 -28.53 69.63 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 115.155 -0.929 . . . . 75.400000000000006 111.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 9.9 mptt -84.65 -32.8 23.45 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.635 0.774 . . . . 63.119999999999997 110.158 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 1.8 mp -64.78 -42.83 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 C-N-CA 123.008 0.523 . . . . 75.319999999999993 110.432 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -68.04 -25.46 65.38 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.891 0.377 . . . . 73.540000000000006 110.763 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -73.78 -9.99 59.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.069 0.947 . . . . 64.040000000000006 111.333 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 52.8 mm-40 -74.45 -15.32 60.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.0 0.52 . . . . 75.450000000000003 111.302 172.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.38 37.79 4.45 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.075 -0.81 . . . . 33.329999999999998 111.075 -173.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD11 HD21 ' A' ' 97' ' ' LEU . 10.4 mt -114.58 147.3 39.69 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.375 -0.602 . . . . 72.140000000000001 109.375 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -87.86 111.94 21.96 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.129 -1.063 . . . . 75.349999999999994 108.129 168.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.09 131.66 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.818 -0.438 . . . . 74.150000000000006 109.818 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.658 ' HB2' HG22 ' A' ' 7' ' ' VAL . 40.6 m-85 -108.41 144.1 36.44 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 106.972 -1.492 . . . . 74.409999999999997 106.972 176.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG21 HD13 ' A' ' 49' ' ' LEU . 25.9 mm -123.93 125.46 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.448 -0.945 . . . . 65.329999999999998 108.448 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.563 HD12 HG23 ' A' ' 65' ' ' ILE . 38.9 mt -101.89 120.05 39.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.582 0.706 . . . . 72.150000000000006 111.106 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD11 ' HG2' ' A' ' 45' ' ' LYS . 1.4 mm? -105.15 122.94 46.95 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.484 -1.234 . . . . 63.140000000000001 111.163 -175.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HE2' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -147.58 120.26 8.6 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.987 -1.116 . . . . 74.129999999999995 107.987 157.427 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -132.61 171.79 13.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.88 1.272 . . . . 61.240000000000002 109.558 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -46.18 -47.89 17.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 125.429 1.491 . . . . 74.230000000000004 112.224 175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.21 119.3 28.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.381 -0.827 . . . . 72.109999999999999 110.104 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.7 -15.03 62.2 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.525 0.935 . . . . 75.019999999999996 113.525 -176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.58 -49.63 15.87 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.98 0.419 . . . . 74.010000000000005 110.083 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -63.52 -29.92 71.12 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 115.537 -0.756 . . . . 64.510000000000005 110.265 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' HG ' HD12 ' A' ' 34' ' ' LEU . 5.4 tt -61.39 -44.85 96.43 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.221 -1.354 . . . . 75.409999999999997 110.707 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.2 -35.8 81.52 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.418 0.449 . . . . 74.129999999999995 110.603 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.66 -41.67 78.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.77 -0.65 . . . . 75.239999999999995 109.964 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -59.76 -38.81 82.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.086 0.954 . . . . 74.140000000000001 110.97 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.507 HG23 ' HB ' ' A' ' 56' ' ' VAL . 54.1 mt -55.12 -51.26 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 O-C-N 124.089 0.868 . . . . 51.149999999999999 109.101 173.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -64.17 -36.43 84.03 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.944 0.498 . . . . 71.420000000000002 111.856 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -65.5 -44.08 88.14 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.2 0.6 . . . . 73.129999999999995 110.907 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.616 ' HB2' HG21 ' A' ' 56' ' ' VAL . 90.0 mt -73.41 -36.48 66.01 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.206 -0.906 . . . . 73.409999999999997 111.428 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 37.1 mtpt -70.47 -28.26 64.86 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.208 -0.307 . . . . 63.140000000000001 110.798 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 t -65.03 -32.5 74.26 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.63 -0.713 . . . . 74.510000000000005 111.583 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -77.6 -20.56 53.77 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.913 0.485 . . . . 54.020000000000003 111.14 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.93 37.03 1.59 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 123.418 0.449 . . . . 35.009999999999998 113.272 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.09 149.46 32.09 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.07 0.548 . . . . 65.239999999999995 110.402 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -92.58 87.45 5.94 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.48 -0.933 . . . . 62.119999999999997 108.48 173.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG21 ' HB2' ' A' ' 49' ' ' LEU . 20.2 t -93.89 133.05 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 114.94 -1.027 . . . . 71.010000000000005 110.071 -172.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -134.58 147.08 50.17 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.963 0.905 . . . . 73.349999999999994 110.21 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -88.99 130.39 35.47 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.299 1.039 . . . . 74.219999999999999 109.746 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.43 169.12 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 124.538 1.135 . . . . 53.25 109.585 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -94.23 -61.71 1.47 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.514 0.326 . . . . 75.239999999999995 111.623 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -137.28 -175.34 4.02 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.521 0.729 . . . . 63.420000000000002 110.494 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 65' ' ' ILE . 6.5 p-10 -66.44 -37.53 85.38 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.89 0.876 . . . . 72.019999999999996 111.817 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.27 -36.78 76.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.974 0.416 . . . . 75.310000000000002 111.455 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.08 -38.98 79.32 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.906 -0.588 . . . . 75.409999999999997 110.27 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.563 HG23 HD12 ' A' ' 33' ' ' LEU . 96.2 mt -60.57 -49.91 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 71.239999999999995 110.568 174.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.94 -50.11 71.65 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.443 1.097 . . . . 72.140000000000001 111.485 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.86 -21.32 60.14 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 115.221 -0.9 . . . . 74.219999999999999 111.803 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -68.76 -36.45 78.36 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.734 0.413 . . . . 71.140000000000001 110.333 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.65 -36.6 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 122.987 0.515 . . . . 71.420000000000002 109.756 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.63 -44.68 93.19 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.419 -0.809 . . . . 63.43 111.562 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 20.8 ptmt -71.11 -25.54 62.64 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 119.586 -0.245 . . . . 73.049999999999997 110.984 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.49 -35.61 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 123.002 0.521 . . . . 65.420000000000002 110.279 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -65.48 -24.19 67.09 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.859 0.464 . . . . 74.120000000000005 111.205 174.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -82.87 -41.38 19.05 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.843 0.457 . . . . 61.32 110.687 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.2 mm-40 -66.05 -50.03 65.61 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.308 0.575 . . . . 73.349999999999994 111.164 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 87.86 36.28 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 114.858 -1.065 . . . . 73.349999999999994 108.439 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.25 -37.02 33.36 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.436 . . . . 74.340000000000003 113.696 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.53 -9.85 57.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.708 1.003 . . . . 64.420000000000002 113.708 -168.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.59 149.17 30.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.507 0.323 . . . . 51.0 110.289 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -102.06 137.76 39.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.699 0.4 . . . . 64.510000000000005 110.834 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 HD11 ' A' ' 5' ' ' ILE . 2.8 t -113.06 126.31 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 123.436 0.694 . . . . 74.230000000000004 109.669 -169.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -110.04 141.45 42.85 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.507 0.723 . . . . 74.209999999999994 110.497 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -98.68 114.72 27.34 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.209 -1.034 . . . . 74.450000000000003 108.209 169.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 89' ' ' GLN . 78.7 t -115.35 90.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.465 -0.939 . . . . 60.109999999999999 108.465 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.689 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 81.4 p -82.24 -21.49 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.558 -0.746 . . . . 73.129999999999995 111.943 -171.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -137.06 160.23 39.56 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 123.579 0.752 . . . . 64.25 111.133 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -35.02 68.09 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 113.868 -1.515 . . . . 73.329999999999998 113.12 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.17 -34.81 79.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.41 0.684 . . . . 71.049999999999997 111.485 -176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 48.7 mt-30 -69.1 -36.75 77.89 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.431 0.457 . . . . 72.409999999999997 110.598 173.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.73 -32.77 72.79 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.085 0.554 . . . . 61.109999999999999 111.665 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -72.96 -39.97 65.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.263 0.625 . . . . 73.010000000000005 110.09 175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -64.11 -47.32 80.47 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.588 -0.733 . . . . 73.129999999999995 110.913 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 21.2 pt -64.24 -28.91 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.597 0.591 . . . . 63.399999999999999 112.597 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.47 -37.0 62.25 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 122.714 0.406 . . . . 55.450000000000003 111.353 172.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 15.5 mm-40 -84.89 -50.72 7.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.328 0.651 . . . . 72.409999999999997 110.978 175.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t70 -42.03 -44.67 3.63 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.674 1.59 . . . . 53.229999999999997 113.78 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.693 HD21 HD11 ' A' ' 28' ' ' LEU . 11.1 mp -68.91 -23.61 64.2 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.62 0.768 . . . . 71.019999999999996 111.927 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -85.06 -39.06 18.42 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.635 0.774 . . . . 74.530000000000001 109.594 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 72.1 mmtt -67.06 -71.11 0.21 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.324 0.649 . . . . 72.409999999999997 109.683 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 171.87 142.19 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.551 1.54 . . . . 71.5 108.569 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -177.59 49.01 0.1 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.43 -0.668 . . . . 72.219999999999999 111.43 175.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.0 m -105.17 -68.03 0.88 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.425 0.69 . . . . 74.430000000000007 111.149 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -95.14 6.62 48.56 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.873 0.694 . . . . 75.209999999999994 112.873 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -89.83 0.29 57.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.409 0.684 . . . . 73.140000000000001 111.396 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.07 79.88 0.33 Allowed 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 122.693 1.235 . . . . 64.420000000000002 111.3 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.54 62.29 1.56 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.206 -0.906 . . . . 75.409999999999997 109.125 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -67.04 125.11 24.96 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 114.821 -1.081 . . . . 74.519999999999996 108.807 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -76.5 80.97 3.2 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.778 0.674 . . . . 73.450000000000003 111.46 -173.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -100.88 88.64 3.61 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.918 -1.141 . . . . 53.020000000000003 107.918 172.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.89 0.876 . . . . 74.510000000000005 109.205 -178.317 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HG3' HD11 ' A' ' 103' ' ' LEU . 22.2 ptp . . . . . 0 C--O 1.245 0.821 0 N-CA-C 109.652 -0.499 . . . . 75.0 109.652 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.98 175.57 29.12 Favored Glycine 0 C--N 1.343 0.928 0 O-C-N 124.022 0.826 . . . . 71.420000000000002 113.087 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -83.1 113.49 20.66 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.391 -0.596 . . . . 62.399999999999999 109.391 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HE3' HD13 ' A' ' 28' ' ' LEU . 38.4 ttpt -158.38 142.49 15.69 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 123.716 0.806 . . . . 63.43 108.917 171.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.491 HG22 ' HB3' ' A' ' 29' ' ' GLU . 30.5 pt -125.87 147.86 30.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.371 0.605 . . . . 72.140000000000001 109.91 174.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' HB ' HG22 ' A' ' 30' ' ' VAL . 47.5 mm -117.72 120.42 64.63 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.633 -0.877 . . . . 65.340000000000003 108.633 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 31' ' ' TYR . 40.2 t -105.16 114.93 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.454 -0.943 . . . . 75.530000000000001 108.454 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 23.9 mt -104.24 130.83 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.485 -0.561 . . . . 64.109999999999999 109.485 -174.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.66 86.05 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 105.553 -2.017 . . . . 72.040000000000006 105.553 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.504 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.1 t -77.68 104.73 8.39 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 109.452 -0.573 . . . . 75.430000000000007 109.452 -173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 p -80.86 -153.9 0.1 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.485 1.114 . . . . 64.340000000000003 111.266 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.79 -29.65 68.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.43 1.092 . . . . 75.129999999999995 112.671 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -83.98 150.41 25.66 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.373 0.606 . . . . 64.439999999999998 112.059 -171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -90.21 -14.18 33.99 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.439 -1.255 . . . . 74.120000000000005 111.234 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 15.3 m -53.81 -35.41 61.38 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 123.378 0.671 . . . . 71.140000000000001 111.732 175.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.6 -30.21 64.17 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.379 0.272 . . . . 64.219999999999999 110.366 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.55 -46.61 58.99 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.303 1.041 . . . . 65.439999999999998 111.016 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.96 -39.92 79.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.617 0.367 . . . . 71.25 111.169 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 23' ' ' ILE . 79.1 mt -68.02 -36.02 79.27 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.418 -0.355 . . . . 72.219999999999999 110.492 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -52.0 -45.44 64.54 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.434 1.093 . . . . 70.400000000000006 112.914 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -69.57 -33.58 72.93 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 115.156 -0.929 . . . . 72.450000000000003 110.984 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 22' ' ' LYS . 14.0 tptp -80.71 -23.28 39.63 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.609 -0.723 . . . . 73.540000000000006 110.959 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.582 HD13 HD11 ' A' ' 93' ' ' ILE . 75.4 mt -65.98 -56.68 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 122.848 0.459 . . . . 63.340000000000003 110.245 172.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.9 ptpt -63.19 -20.32 65.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.717 0.636 . . . . 64.430000000000007 112.717 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.37 -25.79 60.03 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.435 1.094 . . . . 75.450000000000003 112.059 174.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.43 -6.76 42.75 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.938 0.895 . . . . 74.299999999999997 112.725 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.34 33.59 4.49 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 123.084 0.373 . . . . 41.020000000000003 113.271 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD13 ' HE3' ' A' ' 4' ' ' LYS . 1.6 pt? -128.91 176.52 7.8 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.123 0.969 . . . . 63.420000000000002 109.154 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 5' ' ' ILE . 16.9 tp10 -98.33 150.8 21.19 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.678 0.391 . . . . 75.049999999999997 110.487 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 6' ' ' ILE . 54.5 t -126.24 127.14 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.849 0.86 . . . . 74.340000000000003 109.672 174.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB2' HG22 ' A' ' 7' ' ' VAL . 1.4 m-85 -102.28 151.88 21.71 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.052 -1.462 . . . . 74.120000000000005 107.052 172.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 56' ' ' VAL . 26.8 mm -125.81 127.73 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.929 -0.767 . . . . 71.349999999999994 108.929 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 HG23 ' A' ' 65' ' ' ILE . 36.8 mt -98.76 108.16 20.78 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.147 -0.686 . . . . 63.229999999999997 109.147 166.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -88.14 127.79 35.43 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 114.446 -1.252 . . . . 63.149999999999999 109.485 -175.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -126.16 120.33 29.82 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.793 -0.818 . . . . 61.530000000000001 108.793 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.506 ' H ' HD12 ' A' ' 42' ' ' LEU . 12.4 t70 -133.14 147.52 52.09 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 106.658 -1.608 . . . . 54.020000000000003 106.658 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -68.22 -16.0 63.8 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 123.666 0.604 . . . . 71.319999999999993 111.752 -176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -119.58 108.8 14.93 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 107.41 -1.33 . . . . 61.310000000000002 107.41 171.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -12.83 19.56 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.814 1.042 . . . . 72.340000000000003 113.814 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -78.94 -49.42 12.82 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.361 -0.607 . . . . 63.009999999999998 109.361 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.95 -32.27 73.67 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.273 -0.876 . . . . 74.109999999999999 109.797 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' H ' ' A' ' 36' ' ' ASP . 6.6 tt -54.71 -52.45 62.42 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.98 1.312 . . . . 73.150000000000006 109.44 170.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.37 -25.68 63.37 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.242 -0.89 . . . . 62.5 112.279 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 41.3 mt-10 -66.2 -48.88 69.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.482 -0.562 . . . . 75.109999999999999 109.482 170.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.98 -32.5 72.96 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.295 0.997 . . . . 74.310000000000002 111.384 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.499 HG23 ' HB ' ' A' ' 56' ' ' VAL . 56.2 mt -55.92 -53.71 35.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 123.461 0.704 . . . . 74.299999999999997 109.605 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.27 -34.57 78.43 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 115.645 -0.707 . . . . 75.439999999999998 111.98 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 11.4 mmpt? -64.67 -46.0 84.31 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 121.389 0.614 . . . . 74.299999999999997 110.635 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 56' ' ' VAL . 98.9 mt -72.59 -38.63 67.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.896 -1.047 . . . . 65.230000000000004 111.249 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 40.0 mtpt -66.81 -27.55 67.66 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.003 -0.435 . . . . 75.310000000000002 111.768 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 m -58.62 -34.76 71.52 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.838 0.455 . . . . 75.010000000000005 111.974 168.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.07 -12.69 60.01 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.277 0.631 . . . . 73.420000000000002 111.381 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.79 55.7 1.06 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 112.081 -0.408 . . . . 72.409999999999997 112.081 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.04 161.42 24.35 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.777 0.831 . . . . 73.120000000000005 109.479 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -102.31 96.12 6.74 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.37 -0.974 . . . . 72.329999999999998 108.37 167.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' ' 49' ' ' LEU . 15.3 t -102.91 139.48 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.532 0.733 . . . . 71.010000000000005 109.441 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -135.36 146.5 48.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.778 0.831 . . . . 71.5 110.046 -173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -91.58 131.53 36.93 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.013 0.925 . . . . 72.519999999999996 109.427 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.68 152.31 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.151 0.981 . . . . 75.349999999999994 109.034 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -24.69 38.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.574 0.35 . . . . 73.349999999999994 111.481 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -167.49 165.8 14.56 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.022 0.529 . . . . 75.340000000000003 111.321 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 24.4 t70 -66.44 -35.45 80.33 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.53 1.132 . . . . 74.200000000000003 111.91 177.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.69 -39.15 73.31 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 115.861 -0.609 . . . . 64.230000000000004 110.903 171.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -69.47 -35.65 75.81 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.342 -0.845 . . . . 75.299999999999997 110.403 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 33' ' ' LEU . 32.7 mt -54.13 -50.14 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 124.266 0.979 . . . . 71.409999999999997 111.733 176.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.19 -39.34 92.39 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.246 0.218 . . . . 71.109999999999999 111.277 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -33.67 74.29 Favored 'General case' 0 CA--C 1.553 1.073 0 O-C-N 123.561 0.538 . . . . 61.310000000000002 110.605 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -64.44 -40.17 95.24 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.79 1.236 . . . . 72.109999999999999 109.882 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.599 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -40.13 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.516 0.727 . . . . 71.209999999999994 110.072 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 18.3 t70 -57.62 -43.87 85.09 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.107 0.963 . . . . 75.230000000000004 111.223 -173.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 8.2 ptpp? -68.56 -42.38 78.43 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.233 -0.894 . . . . 63.240000000000002 111.459 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.67 -33.81 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 C-N-CA 123.122 0.569 . . . . 72.25 111.359 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 58.5 mtmt -60.52 -33.54 72.79 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 122.536 0.334 . . . . 71.329999999999998 110.881 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -80.85 -45.92 16.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.112 0.965 . . . . 51.409999999999997 110.364 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 37.3 mm-40 -56.71 -55.37 35.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.248 1.019 . . . . 62.420000000000002 110.062 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -121.53 81.18 39.31 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 114.588 -1.187 . . . . 64.120000000000005 107.895 -172.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.53 -5.85 17.47 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.682 2.255 . . . . 71.099999999999994 112.194 -177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -69.81 -20.42 63.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.235 1.014 . . . . 63.530000000000001 111.936 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -126.3 150.71 48.29 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.622 0.769 . . . . 60.439999999999998 111.364 -174.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.477 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 25.5 mm-40 -84.55 149.78 25.67 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.822 -0.807 . . . . 62.520000000000003 108.822 172.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.26 106.32 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 108.046 -1.094 . . . . 33.100000000000001 108.046 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -103.8 134.56 46.89 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.364 0.666 . . . . 75.230000000000004 109.573 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.599 ' HG2' HG12 ' A' ' 69' ' ' ILE . 27.2 mtmm -94.09 111.09 22.77 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.41 -0.589 . . . . 75.109999999999999 109.41 173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.458 HG11 ' HB2' ' A' ' 90' ' ' ALA . 59.0 t -98.29 91.21 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.326 -0.99 . . . . 73.519999999999996 108.326 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.6 p -84.68 -16.95 40.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.842 -1.072 . . . . 73.120000000000005 111.42 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.45 152.22 51.66 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.108 0.963 . . . . 74.239999999999995 109.351 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -30.16 59.99 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.174 0.59 . . . . 73.409999999999997 110.959 169.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.92 -42.42 93.91 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.163 1.385 . . . . 63.149999999999999 111.424 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HB2' HG13 ' A' ' 84' ' ' VAL . 20.5 mm-40 -60.91 -40.94 95.03 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.972 0.795 . . . . 62.340000000000003 110.711 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.27 -39.21 89.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.456 0.702 . . . . 72.310000000000002 111.956 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -70.1 -34.26 72.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.631 0.772 . . . . 64.109999999999999 110.595 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.78 -50.99 37.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.576 -0.738 . . . . 64.019999999999996 110.076 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 23' ' ' ILE . 24.6 pt -64.45 -28.65 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.017 0.376 . . . . 72.409999999999997 112.017 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 33.3 mt -54.62 -54.55 40.06 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.927 0.331 . . . . 74.329999999999998 111.202 171.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 6.8 pt-20 -74.37 -27.26 60.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 123.282 0.364 . . . . 72.109999999999999 110.991 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 19.4 t70 -64.76 -45.23 87.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.956 0.902 . . . . 74.25 110.757 -176.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 93' ' ' ILE . 11.1 mp -67.18 -21.78 65.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.944 -0.571 . . . . 70.519999999999996 110.944 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.3 mmmt -81.5 -35.96 29.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.828 0.451 . . . . 64.140000000000001 110.415 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 9.0 mtpm? -58.28 -45.97 86.92 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.074 -0.966 . . . . 72.299999999999997 109.251 172.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.6 tptt 168.93 -36.88 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.386 1.875 . . . . 73.519999999999996 108.15 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.8 -112.6 3.66 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 109.761 -1.336 . . . . 43.409999999999997 109.761 -165.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.6 p -175.17 -67.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.432 0.693 . . . . 63.399999999999999 110.493 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.44 HD11 ' HG3' ' A' ' 1' ' ' MET . 96.0 mt 72.57 -66.48 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.256 1.823 . . . . 72.129999999999995 109.066 -170.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 47.14 32.38 2.0 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.586 1.554 . . . . 73.420000000000002 113.462 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -86.6 77.97 9.27 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.566 0.698 . . . . 72.409999999999997 110.679 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -82.29 152.75 26.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.128 -1.064 . . . . 54.329999999999998 108.128 166.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.9 t60 78.59 -11.97 1.14 Allowed 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 125.331 1.452 . . . . 70.230000000000004 110.929 -169.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -95.4 100.45 12.22 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.379 1.071 . . . . 70.430000000000007 109.441 -176.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.55 -32.92 9.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.693 0.797 . . . . 60.210000000000001 109.643 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 . . . . . 0 C--O 1.25 1.12 0 C-N-CA 123.513 0.725 . . . . 72.010000000000005 109.472 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 108.72 -0.844 . . . . 70.329999999999998 108.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.85 48.13 3.47 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.48 -0.648 . . . . 73.109999999999999 111.48 176.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -77.67 107.07 9.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.654 0.781 . . . . 74.230000000000004 109.932 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.2 ttpp -166.16 135.03 3.07 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.201 -1.037 . . . . 72.420000000000002 108.201 174.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG22 ' A' ' 81' ' ' VAL . 40.6 pt -119.27 149.3 21.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 CA-C-O 121.636 0.732 . . . . 75.420000000000002 110.385 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -119.92 111.61 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 108.246 -1.02 . . . . 62.43 108.246 175.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 69' ' ' ILE . 71.2 t -87.64 118.53 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.832 0.853 . . . . 52.140000000000001 109.407 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 56.1 mt -111.72 126.86 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.261 0.624 . . . . 73.230000000000004 109.393 -177.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -96.95 93.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 105.823 -1.917 . . . . 65.109999999999999 105.823 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.525 ' HB2' HD22 ' A' ' 34' ' ' LEU . 42.5 m -101.43 121.97 42.9 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 108.568 -0.901 . . . . 71.120000000000005 108.568 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 p -138.69 113.53 9.17 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.904 -1.044 . . . . 74.150000000000006 109.326 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 75.49 -61.22 0.48 Allowed 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.633 1.573 . . . . 74.150000000000006 112.508 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.26 136.98 52.69 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.98 0.912 . . . . 75.120000000000005 111.355 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -90.49 -21.34 21.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.539 0.736 . . . . 51.130000000000003 112.4 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 4.5 m -56.94 -36.1 69.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.743 0.417 . . . . 75.540000000000006 111.728 -175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.76 -30.81 71.12 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.011 0.524 . . . . 63.409999999999997 110.902 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.27 -36.34 66.33 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.581 1.152 . . . . 70.010000000000005 110.329 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.17 -36.47 64.07 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.617 -0.72 . . . . 65.099999999999994 110.652 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.671 HD22 HD11 ' A' ' 94' ' ' LEU . 93.9 mt -74.11 -27.31 60.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.577 0.751 . . . . 62.240000000000002 110.062 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.82 76.57 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.116 0.967 . . . . 73.430000000000007 111.521 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -62.29 -43.19 99.39 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 115.011 -0.995 . . . . 71.349999999999994 111.0 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 11.4 mmpt? -63.28 -35.17 79.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 122.85 0.46 . . . . 72.329999999999998 111.255 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.614 HG22 HD11 ' A' ' 28' ' ' LEU . 80.2 mt -73.88 -32.75 35.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 C-N-CA 123.893 0.877 . . . . 72.549999999999997 111.923 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HE3' ' CE1' ' A' ' 54' ' ' PHE . 16.5 ptpt -75.42 -22.16 57.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.447 -0.783 . . . . 71.319999999999993 110.604 174.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -70.67 -10.27 59.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.314 0.645 . . . . 71.409999999999997 111.599 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -77.49 -1.93 32.92 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.335 0.654 . . . . 72.439999999999998 110.911 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.64 29.4 29.69 Favored Glycine 0 C--N 1.353 1.476 0 C-N-CA 122.944 0.307 . . . . 52.340000000000003 112.777 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -128.57 166.94 17.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.807 0.443 . . . . 74.230000000000004 111.547 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.06 130.36 34.52 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.947 0.899 . . . . 60.100000000000001 109.963 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.4 t -109.09 131.25 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.758 0.823 . . . . 73.510000000000005 110.06 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HB2' HG22 ' A' ' 7' ' ' VAL . 4.5 m-30 -104.93 140.71 37.76 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 107.409 -1.33 . . . . 55.200000000000003 107.409 174.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.7 mm -123.61 120.91 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 108.605 -0.887 . . . . 71.140000000000001 108.605 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HG23 ' A' ' 65' ' ' ILE . 33.1 mt -102.58 106.6 17.31 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.314 -0.995 . . . . 52.140000000000001 108.314 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 10' ' ' SER . 0.2 OUTLIER -97.54 132.99 42.71 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.331 -0.989 . . . . 74.319999999999993 108.331 -173.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -139.07 129.58 25.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.164 0.586 . . . . 75.450000000000003 109.944 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 36.3 t70 -133.28 168.95 17.64 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.432 1.093 . . . . 53.340000000000003 109.906 -172.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -55.38 -37.1 67.12 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.783 1.233 . . . . 61.409999999999997 112.192 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 40' ' ' LYS . 14.0 t70 -133.58 129.92 37.67 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.99 0.516 . . . . 74.420000000000002 110.492 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -62.72 -28.87 70.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 115.881 1.808 . . . . 72.329999999999998 115.881 -173.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG2' ' OD1' ' A' ' 38' ' ' ASP . 5.4 ptpp? -81.68 -34.8 30.49 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.751 1.159 . . . . 73.439999999999998 109.984 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -65.8 -38.31 88.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.921 0.889 . . . . 74.25 110.373 171.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 13.5 tp -55.84 -45.03 78.52 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.662 1.585 . . . . 72.450000000000003 111.997 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -70.39 -18.3 63.04 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 123.68 0.612 . . . . 73.150000000000006 111.724 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -68.32 -51.81 40.5 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.373 -0.602 . . . . 70.540000000000006 109.373 173.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.92 -42.14 88.96 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.555 -1.202 . . . . 74.409999999999997 110.899 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.473 ' HA ' HG11 ' A' ' 56' ' ' VAL . 67.2 mt -55.63 -50.48 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.297 1.039 . . . . 63.350000000000001 111.277 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -70.07 -28.78 65.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.747 0.419 . . . . 74.5 112.003 -177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -67.3 -38.0 84.29 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.815 0.446 . . . . 74.329999999999998 111.433 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' ' 56' ' ' VAL . 92.1 mt -80.58 -31.38 36.82 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.869 -0.605 . . . . 74.019999999999996 111.452 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -65.69 -35.06 79.68 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.068 0.547 . . . . 54.409999999999997 111.047 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -29.86 70.26 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.692 0.797 . . . . 75.209999999999994 111.388 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.523 ' NE2' HD23 ' A' ' 49' ' ' LEU . 49.1 mt-30 -85.71 3.33 41.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.828 0.851 . . . . 73.209999999999994 111.902 175.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.32 41.23 9.38 Favored Glycine 0 C--N 1.346 1.102 0 C-N-CA 122.74 0.21 . . . . 53.140000000000001 113.46 174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 24' ' ' LYS . 96.3 m-85 -114.54 141.79 47.26 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.46 0.704 . . . . 55.509999999999998 109.654 174.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.39 81.91 4.7 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 108.937 -0.764 . . . . 74.439999999999998 108.937 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 49' ' ' LEU . 4.4 t -100.43 135.62 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.132 0.573 . . . . 73.400000000000006 110.307 -171.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 68' ' ' TRP . 3.5 mmp_? -133.66 161.22 35.24 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.561 0.744 . . . . 71.329999999999998 112.099 -167.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.55 117.1 29.6 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 113.967 -1.47 . . . . 75.25 107.949 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 m -129.62 162.96 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.38 0.672 . . . . 70.540000000000006 109.767 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -86.62 -65.91 0.96 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.238 0.615 . . . . 72.049999999999997 109.886 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -155.71 -170.16 3.34 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.29 -1.323 . . . . 62.43 108.157 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.537 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 35.5 t70 -70.07 -18.36 63.27 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.367 0.667 . . . . 74.140000000000001 111.961 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.76 -45.93 48.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.82 0.448 . . . . 74.430000000000007 110.219 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.72 -34.7 78.93 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.422 0.63 . . . . 70.0 110.556 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 62' ' ' ASP . 87.3 mt -66.74 -37.56 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 114.037 -1.438 . . . . 51.140000000000001 110.147 175.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.79 -46.86 87.89 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.699 0.8 . . . . 63.350000000000001 111.398 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -67.53 -32.11 72.68 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.991 0.516 . . . . 75.430000000000007 110.224 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 57' ' ' ARG . 8.1 t90 -67.94 -42.89 80.29 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.396 -0.82 . . . . 72.420000000000002 110.774 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -75.95 -32.87 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.923 0.489 . . . . 63.119999999999997 110.175 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.97 -53.75 53.09 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.693 0.797 . . . . 64.239999999999995 111.246 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.69 -37.69 85.08 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.554 0.534 . . . . 72.239999999999995 111.497 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mm -61.56 -45.32 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.69 0.796 . . . . 71.400000000000006 110.607 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HE3' HG23 ' A' ' 81' ' ' VAL . 5.7 mmpt? -65.08 -34.15 77.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.031 0.532 . . . . 72.200000000000003 112.133 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -76.28 -42.28 46.05 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.517 0.727 . . . . 75.120000000000005 111.521 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -80.48 -46.62 15.58 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.869 0.867 . . . . 73.219999999999999 111.22 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -124.28 92.26 48.41 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 123.541 0.737 . . . . 72.5 109.857 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.83 -168.15 0.59 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.707 2.271 . . . . 53.43 110.503 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 73.06 -24.1 0.2 Allowed 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.28 1.432 . . . . 75.329999999999998 113.051 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -105.64 131.44 53.01 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.125 -1.065 . . . . 73.409999999999997 108.125 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -85.59 144.62 27.78 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.074 -0.343 . . . . 63.539999999999999 110.074 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 HD11 ' A' ' 5' ' ' ILE . 42.6 t -117.17 124.88 73.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 124.108 0.963 . . . . 71.25 108.988 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -120.85 112.52 18.91 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.985 0.914 . . . . 74.450000000000003 108.793 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.4 mtmt -75.63 124.96 28.11 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.981 0.801 . . . . 74.409999999999997 109.737 171.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 89.2 t -114.04 88.49 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.001 -1.111 . . . . 62.119999999999997 108.001 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.2 p -79.92 -36.23 36.68 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 120.621 0.248 . . . . 75.129999999999995 110.751 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -116.66 153.25 32.64 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.376 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -55.71 -38.64 69.99 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.868 1.267 . . . . 65.5 112.163 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.59 -37.44 58.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.332 1.053 . . . . 74.340000000000003 112.342 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' HB2' HG13 ' A' ' 84' ' ' VAL . 66.4 mt-30 -71.59 -40.52 69.81 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.309 -0.86 . . . . 70.420000000000002 110.646 178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -62.6 -37.24 85.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.645 0.778 . . . . 62.119999999999997 111.269 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.12 -35.6 56.18 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.604 0.761 . . . . 75.129999999999995 110.983 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -71.25 -43.91 66.32 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.557 0.343 . . . . 74.209999999999994 111.1 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 26.7 pt -65.05 -25.88 38.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 112.43 0.53 . . . . 74.120000000000005 112.43 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -56.0 -39.09 71.37 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.051 0.387 . . . . 71.109999999999999 111.302 170.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.47 -37.49 56.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.417 1.087 . . . . 65.230000000000004 110.797 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 27.8 t70 -68.26 -37.66 80.97 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.267 1.027 . . . . 74.209999999999994 111.961 -172.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.5 mp -75.76 -19.47 59.0 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.788 0.835 . . . . 75.120000000000005 110.533 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 46.8 mmtm -78.63 -41.73 30.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.426 0.691 . . . . 75.209999999999994 109.169 170.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.81 -34.39 76.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.452 1.101 . . . . 72.5 112.369 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.1 OUTLIER 65.59 19.44 11.48 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 124.324 1.05 . . . . 33.219999999999999 110.217 -167.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.55 28.27 8.57 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-N 115.996 -0.547 . . . . 63.25 113.076 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.8 m -65.38 -15.9 63.05 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.801 1.24 . . . . 72.540000000000006 112.615 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.8 -60.01 2.85 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.379 1.072 . . . . 63.009999999999998 110.248 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.78 -23.84 60.85 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.134 -0.484 . . . . 72.230000000000004 111.205 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -71.79 -22.65 61.55 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.572 0.749 . . . . 72.400000000000006 111.681 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 157.15 37.89 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.702 0.287 . . . . 73.040000000000006 110.784 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -116.48 146.8 42.31 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.665 -0.865 . . . . 73.540000000000006 108.665 173.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -68.24 89.02 0.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.771 . . . . 71.319999999999993 109.374 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -95.33 178.68 5.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.127 0.971 . . . . 64.420000000000002 111.004 -176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.228 -1.027 . . . . 73.530000000000001 108.228 171.334 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 109.059 -0.719 . . . . 73.140000000000001 109.059 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.61 -64.37 4.31 Favored Glycine 0 C--N 1.349 1.297 0 N-CA-C 111.961 -0.456 . . . . 33.039999999999999 111.961 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -71.09 85.41 0.73 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 108.897 -0.779 . . . . 73.530000000000001 108.897 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 17.3 ttmm -98.34 132.43 43.82 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 107.98 -1.119 . . . . 72.239999999999995 107.98 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' HB3' ' A' ' 29' ' ' GLU . 23.5 pt -110.89 139.25 35.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-O 121.577 0.703 . . . . 74.400000000000006 109.181 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.1 mm -113.49 130.92 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.124 -1.065 . . . . 64.019999999999996 108.124 178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 69' ' ' ILE . 54.4 t -112.59 110.13 31.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 108.421 -0.955 . . . . 72.319999999999993 108.421 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.474 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 68.4 mt -103.69 124.23 57.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 C-N-CA 124.622 1.169 . . . . 51.229999999999997 109.494 -174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG12 HG21 ' A' ' 65' ' ' ILE . 2.9 mp -93.12 101.05 12.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 106.669 -1.604 . . . . 72.239999999999995 106.669 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.433 ' HB3' HD22 ' A' ' 34' ' ' LEU . 36.3 t -98.02 104.07 16.07 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.224 -1.028 . . . . 65.409999999999997 108.224 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 m -89.62 73.35 7.72 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.761 -0.829 . . . . 63.43 108.761 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p30 47.85 22.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.198 1.799 . . . . 64.219999999999999 114.049 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.06 -178.87 7.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.996 0.918 . . . . 54.340000000000003 110.962 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.0 m -109.07 -48.29 3.29 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 124.282 1.033 . . . . 73.010000000000005 110.722 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -56.09 -42.74 77.2 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.966 1.098 . . . . 74.129999999999995 113.966 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.55 -20.72 58.46 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 122.123 -0.361 . . . . 73.510000000000005 110.593 -176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.05 -53.01 16.21 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 120.889 0.376 . . . . 72.25 110.287 174.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.28 -36.38 82.81 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.072 -0.513 . . . . 74.239999999999995 110.906 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.94 -36.52 83.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.192 0.597 . . . . 71.540000000000006 110.715 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.63 -35.39 65.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.088 0.955 . . . . 41.32 112.492 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.7 tpt85 -66.16 -41.61 90.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.532 0.733 . . . . 70.120000000000005 111.121 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -36.0 72.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.526 0.73 . . . . 74.109999999999999 111.147 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 93' ' ' ILE . 87.3 mt -65.37 -47.34 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.984 0.914 . . . . 74.409999999999997 110.933 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 11.7 ptpt -71.85 -21.31 61.69 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.666 0.247 . . . . 72.099999999999994 111.666 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -66.84 -14.64 62.92 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.9 0.88 . . . . 73.340000000000003 111.413 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.745 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.5 mm-40 -85.24 5.87 28.44 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.642 0.777 . . . . 72.040000000000006 110.837 174.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.9 5.17 64.55 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.324 0.488 . . . . 34.520000000000003 112.559 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD11 HD21 ' A' ' 97' ' ' LEU . 16.2 mt -78.4 143.66 36.6 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.931 0.493 . . . . 73.439999999999998 110.635 -175.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' ILE . 43.5 tt0 -89.2 118.12 28.67 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.288 -1.004 . . . . 73.540000000000006 108.288 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -116.96 125.75 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.055 0.542 . . . . 72.239999999999995 110.85 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -105.6 132.87 51.22 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.225 1.41 . . . . 71.400000000000006 107.283 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' HG22 ' A' ' 56' ' ' VAL . 19.1 mm -109.32 124.65 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.934 -0.765 . . . . 72.230000000000004 108.934 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD13 HG11 ' A' ' 59' ' ' VAL . 50.0 mt -96.46 110.87 23.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.012 -0.736 . . . . 74.209999999999994 109.012 171.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -100.79 128.15 46.95 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 114.815 -1.084 . . . . 75.540000000000006 108.821 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 137.11 38.41 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.679 -0.86 . . . . 70.209999999999994 108.679 166.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 17.4 t70 -131.3 171.47 13.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.874 1.27 . . . . 64.120000000000005 108.035 -176.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.94 -17.77 56.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.428 0.291 . . . . 52.509999999999998 111.008 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -143.49 140.08 30.14 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 121.792 0.806 . . . . 72.549999999999997 111.244 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.55 -28.95 69.7 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 113.74 -1.573 . . . . 62.539999999999999 113.751 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -78.71 -38.41 39.11 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.215 0.461 . . . . 74.109999999999999 111.925 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -72.69 -34.94 67.51 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 109.101 -0.703 . . . . 70.340000000000003 109.101 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 36' ' ' ASP . 22.5 tp -56.65 -54.8 41.91 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.674 -1.148 . . . . 64.450000000000003 111.788 174.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.41 -31.61 70.54 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.855 0.862 . . . . 63.210000000000001 111.023 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 31.1 mm-40 -60.63 -62.37 1.91 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.837 -0.431 . . . . 75.209999999999994 109.837 173.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -55.09 -38.86 68.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.612 1.165 . . . . 63.210000000000001 112.097 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.6 mt -56.96 -57.22 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.863 0.727 . . . . 72.420000000000002 110.049 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -67.16 -28.2 67.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.342 -0.845 . . . . 73.200000000000003 112.297 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 66.4 mmtt -66.21 -52.66 45.78 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.17 -0.678 . . . . 75.109999999999999 109.17 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 56' ' ' VAL . 80.6 mt -66.53 -29.65 69.79 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.153 -0.93 . . . . 74.129999999999995 111.844 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 45.6 mtpt -73.0 -35.22 66.8 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.17 0.441 . . . . 74.239999999999995 111.115 177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -63.27 -33.7 76.07 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.27 0.628 . . . . 74.219999999999999 110.633 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.42 -21.26 62.85 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.64 0.776 . . . . 62.399999999999999 111.437 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.6 20.98 6.66 Favored Glycine 0 C--N 1.349 1.293 0 N-CA-C 113.949 0.34 . . . . 54.32 113.949 173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 88.1 m-85 -103.33 137.88 40.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.576 0.75 . . . . 75.319999999999993 109.438 177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.35 89.31 6.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.112 -0.699 . . . . 74.040000000000006 109.112 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 49' ' ' LEU . 14.8 t -99.72 132.53 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.533 -0.758 . . . . 61.020000000000003 109.771 -175.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.05 153.16 48.05 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 123.415 0.686 . . . . 75.340000000000003 110.795 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HG3' HD21 ' A' ' 42' ' ' LEU . 63.6 tttm -89.94 127.41 36.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.998 -1.455 . . . . 74.239999999999995 109.587 -173.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG11 HD13 ' A' ' 33' ' ' LEU . 6.5 m -114.94 151.18 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.834 0.854 . . . . 71.400000000000006 110.401 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -66.41 -74.8 0.1 Allowed 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.799 0.687 . . . . 73.310000000000002 109.809 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -125.36 -178.15 4.13 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.953 0.901 . . . . 63.240000000000002 109.357 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 65' ' ' ILE . 14.9 m-20 -66.2 -34.08 77.21 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.802 -0.444 . . . . 74.230000000000004 109.802 167.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -45.4 -48.11 13.57 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 114.68 -1.145 . . . . 65.129999999999995 111.269 163.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 33.4 t70 -81.95 -19.9 39.69 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.913 0.485 . . . . 63.109999999999999 110.724 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 62' ' ' ASP . 60.6 mt -64.25 -55.48 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.338 0.655 . . . . 75.219999999999999 110.375 172.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.52 -34.05 77.32 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.097 0.475 . . . . 75.420000000000002 110.349 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 64' ' ' ASP . 33.2 ttpt -71.12 -29.19 64.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.325 1.05 . . . . 65.200000000000003 110.718 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.491 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.6 t90 -68.36 -42.4 79.27 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 123.288 0.635 . . . . 74.129999999999995 109.816 174.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.551 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.0 mp -72.37 -30.78 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 108.99 -0.744 . . . . 73.109999999999999 108.99 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.05 -50.54 70.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.932 0.893 . . . . 65.340000000000003 111.081 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -71.15 -35.36 71.65 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.345 0.403 . . . . 70.319999999999993 110.93 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -63.33 -43.36 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 122.735 0.414 . . . . 75.239999999999995 111.267 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -66.08 -33.95 76.96 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.44 0.696 . . . . 74.400000000000006 110.676 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -72.69 -36.35 67.85 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.231 1.012 . . . . 75.209999999999994 110.785 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.27 -34.5 36.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.108 0.963 . . . . 73.239999999999995 110.267 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -128.94 71.45 81.78 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 124.161 0.984 . . . . 71.040000000000006 109.613 -173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.27 4.59 6.96 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.466 2.111 . . . . 70.319999999999993 112.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -87.75 -11.99 46.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.912 0.885 . . . . 74.239999999999995 111.707 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.34 176.04 6.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.368 0.667 . . . . 74.230000000000004 110.885 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.575 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 4.3 pt-20 -120.58 127.1 51.82 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.041 0.936 . . . . 73.310000000000002 109.467 -173.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.05 136.24 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.5 1.12 . . . . 63.130000000000003 109.662 -173.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HG2' HG21 ' A' ' 93' ' ' ILE . 16.2 tpt180 -118.48 136.92 53.53 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.642 0.777 . . . . 65.430000000000007 109.881 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HG2' HG12 ' A' ' 69' ' ' ILE . 29.9 mtmm -92.55 116.77 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 72.549999999999997 108.916 171.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 65.1 t -105.8 90.85 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 123.914 0.886 . . . . 72.010000000000005 108.763 175.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.412 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 40.3 p -92.67 -20.68 20.58 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.795 0.438 . . . . 75.420000000000002 110.821 178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -117.25 151.73 36.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.517 1.127 . . . . 75.340000000000003 108.992 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -32.47 71.42 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.889 0.476 . . . . 73.200000000000003 109.934 166.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.69 -50.94 41.7 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 124.827 1.251 . . . . 74.200000000000003 109.977 171.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.49 -43.16 93.4 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.303 1.002 . . . . 73.349999999999994 111.291 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.9 -32.67 74.09 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.294 0.638 . . . . 65.530000000000001 111.894 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -78.9 -35.37 43.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.54 0.736 . . . . 71.519999999999996 110.802 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -69.27 -45.18 70.3 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.516 0.727 . . . . 73.109999999999999 111.295 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 23' ' ' ILE . 37.5 pt -61.86 -33.68 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.832 0.707 . . . . 74.120000000000005 112.051 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.69 -40.26 68.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.015 0.371 . . . . 72.209999999999994 110.434 173.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.58 -34.91 58.43 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.573 0.749 . . . . 75.040000000000006 111.072 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 80.5 m-20 -68.81 -22.34 64.26 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.56 0.744 . . . . 70.510000000000005 110.682 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.745 HD23 ' HG3' ' A' ' 26' ' ' GLU . 1.7 mp -72.1 -42.49 66.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.407 1.083 . . . . 74.340000000000003 109.953 173.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.79 -45.62 28.12 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.777 -0.647 . . . . 65.219999999999999 110.837 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 96' ' ' ASP . 16.7 ptpt -74.17 -3.12 27.8 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.367 -0.833 . . . . 63.210000000000001 111.224 176.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt 45.9 51.21 10.78 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 126.334 1.854 . . . . 64.519999999999996 112.449 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.85 117.26 9.72 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 114.13 -1.395 . . . . 75.140000000000001 111.94 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 p -62.23 159.42 14.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.168 0.987 . . . . 72.25 111.987 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.73 -26.79 65.43 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.102 0.561 . . . . 62.100000000000001 111.18 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.641 ' HB2' ' HD2' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -71.82 138.94 48.69 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 106.873 -1.528 . . . . 54.509999999999998 106.873 168.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -96.46 61.57 1.98 Allowed 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.982 0.42 . . . . 72.340000000000003 110.429 -171.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 58.69 29.15 18.2 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.736 1.214 . . . . 75.420000000000002 111.237 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.641 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 4.4 p80 -72.26 -11.41 60.7 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.797 0.439 . . . . 72.340000000000003 111.247 -174.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -48.94 -44.58 40.75 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.424 1.09 . . . . 74.319999999999993 109.957 169.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 68.17 168.92 0.27 Allowed 'General case' 0 N--CA 1.486 1.34 0 O-C-N 124.645 1.215 . . . . 62.439999999999998 112.088 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.253 1.277 0 N-CA-C 109.218 -0.66 . . . . 71.129999999999995 109.218 172.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.615 -0.142 . . . . 72.219999999999999 110.615 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.63 -71.77 1.82 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 110.54 -1.024 . . . . 70.430000000000007 110.54 -172.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -142.35 154.8 44.96 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.43 1.092 . . . . 72.040000000000006 109.233 168.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 80' ' ' GLU . 79.4 tttt -132.33 152.47 51.39 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 106.468 -1.679 . . . . 73.510000000000005 106.468 160.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 79' ' ' LEU . 49.5 pt -129.4 147.04 33.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.996 0.903 . . . . 73.310000000000002 111.708 175.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.32 122.89 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 113.933 -1.485 . . . . 75.299999999999997 107.218 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 69' ' ' ILE . 76.3 t -109.11 112.23 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 108.181 -1.044 . . . . 75.400000000000006 108.181 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 20' ' ' ALA . 35.4 mt -106.55 122.19 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.551 0.74 . . . . 62.329999999999998 109.864 -173.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 HD12 ' A' ' 65' ' ' ILE . 3.1 mp -89.13 99.45 9.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 105.89 -1.892 . . . . 65.519999999999996 105.89 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -90.59 111.02 22.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.121 0.486 . . . . 61.210000000000001 110.266 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 m -123.31 113.29 18.67 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.679 -1.23 . . . . 71.510000000000005 107.679 169.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 72.65 -78.28 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.114 1.366 . . . . 65.329999999999998 112.225 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.78 134.42 49.72 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.756 0.823 . . . . 61.539999999999999 112.886 -165.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -85.16 -22.93 28.6 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.82 1.248 . . . . 60.219999999999999 112.751 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -63.76 -25.63 68.27 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.657 0.614 . . . . 71.120000000000005 112.657 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.1 -42.28 94.36 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.244 0.545 . . . . 75.439999999999998 110.026 173.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.96 -29.42 58.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.644 1.178 . . . . 71.150000000000006 110.705 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -66.67 -46.53 75.38 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.879 -0.6 . . . . 62.409999999999997 109.514 174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 94' ' ' LEU . 95.7 mt -64.68 -32.9 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.181 0.992 . . . . 73.120000000000005 110.685 176.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -59.94 -33.24 71.63 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.186 0.994 . . . . 72.349999999999994 111.735 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -72.16 -25.2 61.6 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.245 -0.888 . . . . 75.340000000000003 110.958 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 12.8 mptt -79.6 -38.15 34.6 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.464 0.306 . . . . 61.340000000000003 110.412 170.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 20' ' ' ALA . 97.5 mt -58.61 -53.73 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.001 0.92 . . . . 74.329999999999998 110.571 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -56.98 -24.32 52.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 113.068 0.766 . . . . 73.530000000000001 113.068 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.67 -19.58 65.81 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.117 0.967 . . . . 71.450000000000003 111.979 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' HD23 ' A' ' 97' ' ' LEU . 25.7 mm-40 -77.78 -4.44 46.43 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.502 0.721 . . . . 42.020000000000003 112.035 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.43 32.99 9.7 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.182 0.301 . . . . 75.510000000000005 113.569 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -127.28 147.96 50.23 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.853 0.861 . . . . 64.0 109.165 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 5' ' ' ILE . 29.8 tt0 -76.17 142.51 41.53 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.244 0.618 . . . . 63.130000000000003 110.392 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 20' ' ' ALA . 58.0 t -121.94 127.97 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 122.939 0.496 . . . . 61.009999999999998 109.892 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HE2' HG21 ' A' ' 5' ' ' ILE . 80.2 m-85 -104.04 141.45 36.18 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.02 -1.104 . . . . 74.209999999999994 108.02 175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mm -122.62 111.68 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 108.081 -1.081 . . . . 74.349999999999994 108.081 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.7 mt -90.8 109.09 20.29 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.421 0.688 . . . . 75.319999999999993 109.168 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD23 HG13 ' A' ' 56' ' ' VAL . 4.5 mm? -85.95 122.31 29.82 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.172 0.589 . . . . 73.420000000000002 110.089 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -149.17 115.65 5.86 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.919 0.888 . . . . 70.109999999999999 108.897 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HB2' HD13 ' A' ' 42' ' ' LEU . 24.9 t70 -135.63 171.9 13.79 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.66 0.784 . . . . 72.340000000000003 109.245 175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 37' ' ' LYS . 4.3 mptt -64.0 -29.74 70.87 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.012 0.525 . . . . 75.310000000000002 110.66 175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.93 117.92 26.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.081 0.953 . . . . 42.439999999999998 110.099 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.39 -19.33 62.28 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.667 1.187 . . . . 64.209999999999994 113.811 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.09 -59.27 4.31 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 118.261 0.482 . . . . 72.109999999999999 111.092 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.3 ttt-85 -76.11 -21.57 56.51 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.404 0.681 . . . . 70.25 110.592 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' HB2' ' A' ' 36' ' ' ASP . 46.5 tp -59.82 -38.12 81.11 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.479 0.712 . . . . 74.230000000000004 110.755 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 30.0 tt0 -77.96 -30.72 50.5 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.63 -0.714 . . . . 73.230000000000004 112.322 -174.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -66.19 -33.57 76.05 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 109.782 -0.451 . . . . 73.540000000000006 109.782 177.165 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -66.54 -32.0 73.08 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 115.49 -0.777 . . . . 71.349999999999994 110.826 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 43' ' ' GLU . 58.1 mt -59.2 -40.84 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.368 0.667 . . . . 72.299999999999997 109.804 175.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -67.24 -43.24 82.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 115.809 -0.632 . . . . 75.409999999999997 110.232 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -57.38 -41.95 81.18 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.917 0.887 . . . . 64.319999999999993 111.709 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.519 HD23 ' NE2' ' A' ' 52' ' ' GLN . 85.0 mt -77.08 -33.41 57.05 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.44 -0.8 . . . . 75.450000000000003 112.292 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -67.89 -33.86 75.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.239 0.216 . . . . 71.540000000000006 110.656 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -61.29 -34.33 75.03 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.899 0.48 . . . . 70.140000000000001 111.502 170.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.519 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.7 mt-30 -83.74 -4.62 58.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.293 0.637 . . . . 70.129999999999995 111.945 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.27 46.31 8.23 Favored Glycine 0 C--N 1.347 1.159 0 O-C-N 122.959 0.162 . . . . 24.539999999999999 113.133 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -104.43 143.16 33.38 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.124 0.57 . . . . 61.509999999999998 110.19 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 91.03 6.28 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.173 -1.417 . . . . 74.439999999999998 107.173 172.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.575 HG13 HD23 ' A' ' 34' ' ' LEU . 49.3 t -93.88 132.84 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.762 -1.108 . . . . 55.219999999999999 110.583 -171.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.16 129.65 36.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.706 -0.849 . . . . 70.040000000000006 108.706 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.94 131.03 34.75 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 108.328 -0.99 . . . . 73.439999999999998 108.328 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 65' ' ' ILE . 19.0 m -121.14 169.35 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.393 0.677 . . . . 73.120000000000005 109.932 -176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 10.2 mmpt? -93.85 -69.34 0.75 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 122.924 0.489 . . . . 73.129999999999995 110.004 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -133.29 176.04 8.86 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.152 0.581 . . . . 61.049999999999997 110.837 -169.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.79 -33.64 72.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.073 0.949 . . . . 70.209999999999994 112.067 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.43 -36.97 62.11 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.858 0.463 . . . . 54.109999999999999 111.244 165.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.19 -32.13 55.83 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.247 0.619 . . . . 73.25 111.469 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.609 HD11 HG21 ' A' ' 59' ' ' VAL . 8.9 mm -63.59 -54.08 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 123.692 0.797 . . . . 74.540000000000006 110.453 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.99 -38.99 80.44 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.46 1.104 . . . . 75.319999999999993 110.905 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -67.1 -39.34 86.69 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 114.47 -1.241 . . . . 63.020000000000003 110.446 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -61.87 -44.46 96.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.19 0.996 . . . . 72.299999999999997 111.124 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.545 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -74.54 -37.28 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 115.9 -0.591 . . . . 73.329999999999998 109.863 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.54 -45.44 91.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.526 0.731 . . . . 73.239999999999995 110.929 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -74.81 -26.6 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.168 -0.469 . . . . 55.030000000000001 110.98 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mm -66.42 -35.17 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 C-N-CA 122.803 0.441 . . . . 73.340000000000003 111.235 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.09 -26.79 68.99 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.574 0.35 . . . . 73.140000000000001 110.953 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -81.6 -37.5 27.54 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.707 0.803 . . . . 64.450000000000003 110.195 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 17.8 mm-40 -64.34 -51.83 61.43 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.298 0.57 . . . . 64.230000000000004 110.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -137.42 88.65 16.69 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.308 1.043 . . . . 75.319999999999993 108.573 -176.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.63 -7.81 19.17 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.657 2.238 . . . . 64.010000000000005 113.695 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.95 -28.07 69.27 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.597 0.962 . . . . 64.340000000000003 113.597 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.545 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -113.4 155.19 25.69 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.493 0.923 . . . . 71.450000000000003 113.493 -164.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.555 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 52.1 mt-10 -80.0 147.21 31.64 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.396 -1.275 . . . . 73.209999999999994 108.495 168.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.91 122.86 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.202 -0.666 . . . . 72.439999999999998 109.202 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -113.01 136.73 52.37 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.791 -0.818 . . . . 64.530000000000001 108.791 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HG2' HG12 ' A' ' 69' ' ' ILE . 34.5 mtmm -99.4 117.36 33.66 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.158 -1.053 . . . . 71.040000000000006 108.158 171.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 90' ' ' ALA . 99.1 t -109.56 92.38 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 109.028 -0.73 . . . . 74.019999999999996 109.028 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.4 p -87.64 -16.17 35.21 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.655 -0.702 . . . . 64.109999999999999 111.344 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -137.73 149.55 46.57 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.656 0.782 . . . . 74.409999999999997 110.302 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -52.61 -36.95 57.36 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.073 1.349 . . . . 74.319999999999993 112.484 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 14.7 t70 -49.56 -46.21 48.58 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.547 1.139 . . . . 63.420000000000002 112.032 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.25 -34.24 74.5 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.108 0.563 . . . . 53.32 111.212 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.91 -35.61 80.39 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.58 0.55 . . . . 73.219999999999999 111.005 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -70.22 -38.32 75.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.813 0.845 . . . . 65.540000000000006 111.047 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 16.5 mm100 -77.36 -35.21 54.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.819 0.448 . . . . 55.219999999999999 111.472 -175.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.482 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 14.2 pt -72.36 -23.37 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 112.184 0.438 . . . . 60.039999999999999 112.184 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 19' ' ' LEU . 96.9 mt -53.92 -31.12 49.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 120.633 0.254 . . . . 64.010000000000005 110.342 166.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.68 ' HB3' ' HE2' ' A' ' 99' ' ' LYS . 67.2 mt-10 -78.85 -54.38 6.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.442 0.697 . . . . 75.420000000000002 110.292 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t70 -43.32 -43.36 4.95 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.991 1.316 . . . . 35.229999999999997 114.148 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 93' ' ' ILE . 6.5 mp -66.77 -26.63 67.06 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.68 0.792 . . . . 73.040000000000006 111.646 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -86.51 -56.9 3.21 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.438 1.095 . . . . 61.549999999999997 111.195 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' ' 95' ' ' GLU . 67.2 mttm -62.51 -57.15 12.22 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.871 1.268 . . . . 63.509999999999998 112.457 -174.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -69.57 92.24 0.63 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 123.66 0.6 . . . . 73.239999999999995 110.133 -171.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.5 47.75 1.0 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.452 -1.459 . . . . 44.340000000000003 109.452 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.7 t -136.73 176.34 8.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.066 -1.067 . . . . 64.329999999999998 108.762 -176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.5 54.06 2.62 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.399 -0.963 . . . . 62.219999999999999 108.399 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.73 95.95 2.96 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.088 -0.96 . . . . 74.519999999999996 109.825 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -78.16 118.14 20.11 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.966 -0.753 . . . . 73.0 108.966 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.26 125.7 24.69 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.446 -0.576 . . . . 72.549999999999997 109.446 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -60.79 153.44 24.41 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.204 0.602 . . . . 55.530000000000001 110.774 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -69.26 151.06 46.73 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.067 0.547 . . . . 73.400000000000006 110.827 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -154.07 168.08 27.66 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 108.077 -1.083 . . . . 65.540000000000006 108.077 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.7 m170 . . . . . 0 CA--C 1.549 0.929 0 CA-C-O 118.449 -0.786 . . . . 63.32 108.945 171.703 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tmm? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 108.89 -0.782 . . . . 72.420000000000002 108.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.62 -80.28 0.79 Allowed Glycine 0 C--N 1.354 1.576 0 O-C-N 123.84 0.712 . . . . 43.509999999999998 112.492 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -86.54 137.18 32.72 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.618 0.767 . . . . 74.549999999999997 109.166 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' HB3' ' HG2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -136.35 175.71 9.36 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.68 1.192 . . . . 73.549999999999997 109.83 174.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 79' ' ' LEU . 38.6 pt -122.71 141.37 43.33 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 108.913 -0.773 . . . . 75.450000000000003 108.913 168.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -113.44 126.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 108.213 -1.032 . . . . 73.420000000000002 108.213 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 69' ' ' ILE . 61.7 t -111.42 107.59 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 108.977 -0.749 . . . . 73.230000000000004 108.977 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 20' ' ' ALA . 19.4 mt -100.69 118.66 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.524 0.73 . . . . 73.519999999999996 109.588 -174.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.79 101.26 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 N-CA-C 107.437 -1.32 . . . . 74.439999999999998 107.437 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.0 t -100.08 148.14 24.88 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.351 0.66 . . . . 74.510000000000005 111.075 -177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 p -144.49 81.66 1.67 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.498 -1.228 . . . . 54.43 109.183 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t70 76.94 -38.13 0.3 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 125.106 1.362 . . . . 72.439999999999998 113.352 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.67 142.73 58.33 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.097 0.559 . . . . 61.409999999999997 112.067 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -100.47 -20.79 15.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.77 0.828 . . . . 74.109999999999999 112.443 -175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -58.31 -47.23 84.37 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.68 0.622 . . . . 75.420000000000002 112.68 -173.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -76.32 -21.13 56.57 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 111.965 0.357 . . . . 73.319999999999993 111.965 -179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.32 -40.37 70.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.118 0.567 . . . . 73.329999999999998 110.365 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.92 -34.28 51.38 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.433 -0.349 . . . . 51.409999999999997 110.978 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -58.72 -35.41 72.64 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.832 0.453 . . . . 71.150000000000006 110.077 173.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -55.5 -34.79 64.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.441 1.096 . . . . 61.210000000000001 112.606 177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -67.7 -36.22 80.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.948 0.899 . . . . 75.409999999999997 110.692 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -71.52 -42.01 68.51 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.469 0.708 . . . . 70.030000000000001 109.426 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 HD11 ' A' ' 28' ' ' LEU . 96.4 mt -62.07 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.855 1.262 . . . . 74.430000000000007 111.732 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.8 ptpt -76.86 -16.83 59.3 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.737 0.643 . . . . 44.140000000000001 112.737 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.33 -12.0 12.14 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 123.45 0.7 . . . . 65.409999999999997 111.967 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.602 ' HG3' HD23 ' A' ' 97' ' ' LEU . 33.4 mm-40 -73.94 -8.94 57.96 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.34 1.056 . . . . 74.409999999999997 112.64 171.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.21 29.81 13.92 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.053 0.221 . . . . 71.310000000000002 112.712 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.621 HD11 HG22 ' A' ' 23' ' ' ILE . 4.5 pp -122.0 158.9 28.12 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.78 0.832 . . . . 74.230000000000004 109.593 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -87.18 143.25 27.38 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.079 0.4 . . . . 71.349999999999994 110.824 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 24' ' ' LYS . 71.3 t -120.64 129.84 75.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 123.682 0.793 . . . . 72.530000000000001 109.42 172.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 97.3 m-85 -110.66 117.47 33.59 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.893 1.277 . . . . 73.120000000000005 107.985 178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 8.5 mm -95.1 122.87 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 108.901 -0.777 . . . . 70.439999999999998 108.901 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 59' ' ' VAL . 54.3 mt -97.98 104.57 16.61 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.131 -0.692 . . . . 75.129999999999995 109.131 173.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.7 OUTLIER -89.78 128.22 36.1 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.641 -0.874 . . . . 63.32 108.641 -178.157 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -146.6 122.64 10.75 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.469 -0.937 . . . . 70.239999999999995 108.469 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' H ' HD22 ' A' ' 42' ' ' LEU . 21.4 t70 -132.76 171.48 13.83 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.572 1.149 . . . . 74.340000000000003 108.278 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -70.44 -30.51 67.38 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.016 0.527 . . . . 71.540000000000006 110.875 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -115.72 113.08 22.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.86 0.864 . . . . 71.040000000000006 109.832 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.49 -15.83 63.88 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.326 1.232 . . . . 75.099999999999994 114.326 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.89 -59.42 2.72 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.883 0.765 . . . . 75.209999999999994 110.234 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -69.13 -22.98 63.92 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.741 0.651 . . . . 71.430000000000007 110.169 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 ' H ' ' A' ' 36' ' ' ASP . 38.3 tp -63.05 -51.49 66.5 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.15 1.38 . . . . 75.129999999999995 111.219 175.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 11.4 mm-40 -63.0 -37.13 85.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.981 0.512 . . . . 71.109999999999999 111.478 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.71 -38.12 86.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.495 0.718 . . . . 72.400000000000006 110.758 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.8 -41.09 97.3 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.814 1.245 . . . . 74.439999999999998 109.923 177.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.84 -46.82 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 113.678 -1.601 . . . . 74.109999999999999 110.854 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 20.2 mm-40 -64.59 -37.83 88.9 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 123.468 0.48 . . . . 73.230000000000004 111.22 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -64.28 -46.02 85.49 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.897 0.748 . . . . 64.010000000000005 111.202 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 56' ' ' VAL . 97.6 mt -69.3 -31.72 70.39 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 123.841 0.713 . . . . 75.109999999999999 112.008 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -71.59 -35.19 70.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.643 0.377 . . . . 65.209999999999994 110.17 176.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 t -67.49 -31.78 72.14 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.528 0.731 . . . . 71.209999999999994 111.311 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.496 HE21 ' HE2' ' A' ' 54' ' ' PHE . 29.0 mt-30 -69.53 -19.39 63.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.191 0.596 . . . . 72.430000000000007 111.316 171.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.47 49.71 2.51 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.731 -0.548 . . . . 64.099999999999994 111.731 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.496 ' HE2' HE21 ' A' ' 52' ' ' GLN . 98.2 m-85 -125.48 136.0 52.9 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 107.807 -1.183 . . . . 61.240000000000002 107.807 171.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.56 102.15 9.59 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.835 -0.802 . . . . 75.140000000000001 108.835 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' HB2' ' A' ' 49' ' ' LEU . 27.3 t -113.33 132.54 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.023 -0.989 . . . . 65.329999999999998 109.732 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -127.38 143.47 51.21 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.062 -1.088 . . . . 74.329999999999998 108.062 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -85.87 132.52 34.08 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.643 -1.243 . . . . 75.409999999999997 107.643 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 33' ' ' LEU . 3.5 m -114.51 152.5 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.335 0.654 . . . . 64.450000000000003 110.066 -177.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -73.14 -43.98 60.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.74 -1.118 . . . . 51.100000000000001 110.851 -174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -173.61 -175.66 1.15 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.325 1.05 . . . . 63.229999999999997 110.372 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -68.1 -43.22 78.97 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 113.255 0.835 . . . . 73.530000000000001 113.255 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' O ' ' HE3' ' A' ' 67' ' ' LYS . 7.5 m-20 -50.86 -38.08 47.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 122.556 0.342 . . . . 52.310000000000002 110.493 171.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.62 -40.23 76.7 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.594 0.757 . . . . 72.340000000000003 109.719 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 HD12 ' A' ' 33' ' ' LEU . 90.7 mt -62.25 -51.57 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 C-N-CA 124.082 0.953 . . . . 74.400000000000006 112.141 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.58 -55.27 35.97 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.374 0.67 . . . . 72.430000000000007 111.456 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -66.15 -21.24 66.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.285 -0.87 . . . . 71.019999999999996 112.795 175.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.404 ' HE3' HD12 ' A' ' 69' ' ' ILE . 54.4 t90 -64.35 -36.72 85.05 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.34 0.591 . . . . 74.239999999999995 110.097 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -76.14 -41.88 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 115.353 -0.84 . . . . 73.530000000000001 109.958 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 37.9 t70 -61.92 -37.82 86.12 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.055 0.942 . . . . 63.210000000000001 112.037 -172.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 15.1 ptmm? -67.89 -39.1 83.71 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 123.564 0.54 . . . . 52.340000000000003 111.289 178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.55 -33.79 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 122.491 0.316 . . . . 65.340000000000003 110.621 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 70' ' ' ASP . 10.5 mtmp? -63.85 -31.63 72.88 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.549 0.34 . . . . 72.439999999999998 111.169 175.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -73.78 -39.09 64.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.024 0.53 . . . . 65.510000000000005 110.151 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 7.3 mm-40 -71.34 -35.37 71.17 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.705 0.402 . . . . 62.399999999999999 111.338 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -141.02 91.71 8.84 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.665 0.786 . . . . 74.319999999999993 110.311 -174.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 -15.63 21.06 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.774 2.316 . . . . 75.019999999999996 113.048 170.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.1 -29.56 68.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.713 0.805 . . . . 61.420000000000002 112.519 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 5' ' ' ILE . 2.6 pp -110.43 163.1 14.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.488 1.115 . . . . 71.349999999999994 110.355 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 103' ' ' LEU . 2.0 pm0 -101.29 164.32 11.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.749 -0.463 . . . . 74.019999999999996 109.749 167.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -134.64 130.07 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.496 0.718 . . . . 61.219999999999999 109.153 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.5 tpt180 -126.05 125.29 42.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.196 0.598 . . . . 75.239999999999995 110.149 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -91.17 117.36 29.55 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.085 0.554 . . . . 71.140000000000001 109.546 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG11 ' HB2' ' A' ' 90' ' ' ALA . 50.1 t -99.2 94.89 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.363 1.065 . . . . 74.230000000000004 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.1 p -85.98 -8.89 57.66 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.799 -1.092 . . . . 54.140000000000001 112.338 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -155.79 158.26 37.84 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.304 1.042 . . . . 74.0 108.454 175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 16' ' ' LEU . 12.6 pt-20 -55.52 -28.81 56.92 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.566 0.747 . . . . 70.439999999999998 112.227 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.99 -44.61 82.91 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.381 1.073 . . . . 74.530000000000001 111.282 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.7 mm100 -62.31 -37.17 84.56 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.857 0.723 . . . . 72.310000000000002 110.925 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.504 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -66.88 -33.29 75.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.19 0.596 . . . . 71.329999999999998 111.236 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 94' ' ' LEU . 58.5 mtpt -77.68 -32.67 53.22 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.251 0.621 . . . . 74.099999999999994 111.339 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.03 -44.88 83.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.199 0.6 . . . . 65.450000000000003 110.005 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.549 HG21 ' HG2' ' A' ' 82' ' ' ARG . 26.3 pt -73.38 -22.67 19.27 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 112.825 0.676 . . . . 73.120000000000005 112.825 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 90' ' ' ALA . 95.6 mt -54.58 -30.27 53.84 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.654 0.661 . . . . 75.120000000000005 110.484 167.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.08 -50.42 8.52 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.669 0.787 . . . . 72.329999999999998 110.164 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 61.0 m-20 -54.14 -29.17 44.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 113.666 0.987 . . . . 60.32 113.666 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 26' ' ' GLU . 3.9 mp -75.73 -20.88 58.01 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.775 0.83 . . . . 50.119999999999997 110.356 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -84.51 -41.73 16.23 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.064 -0.971 . . . . 70.239999999999995 109.371 173.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.26 -76.24 0.1 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.299 1.04 . . . . 64.349999999999994 111.036 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -176.66 160.83 2.02 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.154 0.982 . . . . 53.43 110.796 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 81.87 1.51 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.274 -0.731 . . . . 70.439999999999998 111.274 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.3 p -69.13 93.96 0.63 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.19 0.596 . . . . 71.409999999999997 110.45 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 2.8 pp -88.74 -24.4 22.68 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.907 0.706 . . . . 73.540000000000006 112.907 -174.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' HG2' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -67.43 138.77 56.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.448 -0.945 . . . . 60.439999999999998 108.448 177.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -65.89 -74.45 0.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.586 0.755 . . . . 62.229999999999997 111.716 -163.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.508 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 32.3 p80 44.73 28.27 0.33 Allowed 'General case' 0 N--CA 1.501 2.112 0 C-N-CA 125.403 1.481 . . . . 74.040000000000006 113.304 -173.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -150.38 132.92 15.72 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.037 1.335 . . . . 64.400000000000006 107.529 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -94.52 -18.72 21.18 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.972 -0.537 . . . . 75.439999999999998 111.963 -176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.3 t60 71.19 89.48 0.1 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 107.788 -1.19 . . . . 62.439999999999998 107.788 -158.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.25 1.092 0 N-CA-C 108.64 -0.874 . . . . 72.349999999999994 108.64 -177.61 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.142 -0.688 . . . . 72.230000000000004 109.142 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.89 43.02 0.05 OUTLIER Glycine 0 C--N 1.347 1.161 0 N-CA-C 111.45 -0.66 . . . . 54.340000000000003 111.45 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -81.68 170.18 16.1 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.195 0.598 . . . . 74.540000000000006 111.18 -178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -151.68 128.25 10.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.87 -0.789 . . . . 75.010000000000005 108.87 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.31 158.53 4.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.857 0 N-CA-C 108.591 -0.892 . . . . 73.230000000000004 108.591 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mm -117.48 136.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 107.692 -1.225 . . . . 71.030000000000001 107.692 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 69' ' ' ILE . 97.3 t -113.04 114.73 47.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.142 -1.429 . . . . 71.549999999999997 107.142 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 67.4 mt -110.77 123.21 66.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.267 -1.012 . . . . 73.310000000000002 108.267 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.4 mp -95.9 96.15 5.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 105.251 -2.129 . . . . 63.329999999999998 105.251 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.4 t -79.46 98.68 6.89 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.014 -1.476 . . . . 75.340000000000003 107.014 -173.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 t -100.37 86.74 3.24 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.25 -0.886 . . . . 51.049999999999997 110.194 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 77.09 -59.39 0.48 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.524 1.529 . . . . 61.140000000000001 112.757 170.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -71.92 153.73 41.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.308 1.043 . . . . 52.520000000000003 111.808 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -84.66 -23.26 29.53 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.979 0.733 . . . . 73.329999999999998 112.979 -172.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 m -50.59 -40.67 53.09 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.055 0.761 . . . . 74.140000000000001 113.055 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 16' ' ' LEU . 4.7 mp -70.38 -29.9 66.67 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.968 0.507 . . . . 73.299999999999997 110.677 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.4 -41.43 76.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.165 0.986 . . . . 71.129999999999995 110.208 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -69.12 -48.83 61.43 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.974 0.909 . . . . 74.430000000000007 111.483 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.727 HD22 HD11 ' A' ' 94' ' ' LEU . 94.9 mt -66.12 -37.97 87.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.565 0.746 . . . . 53.119999999999997 111.048 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -35.79 30.55 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.6 1.16 . . . . 72.439999999999998 113.564 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -73.85 -30.89 62.92 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.366 -0.833 . . . . 72.5 111.134 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.69 -43.48 89.11 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.474 0.71 . . . . 75.409999999999997 110.068 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.61 -52.27 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.779 0.675 . . . . 75.329999999999998 112.154 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.6 ptpt -67.19 -19.07 65.51 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 113.416 0.895 . . . . 70.349999999999994 113.416 -173.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.15 -23.79 62.47 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.539 0.736 . . . . 70.200000000000003 111.464 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.54 -1.06 17.09 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.943 0.897 . . . . 63.350000000000001 112.295 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 32.12 5.97 Favored Glycine 0 C--N 1.352 1.462 0 C-N-CA 123.155 0.407 . . . . 65.230000000000004 113.933 171.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 174.18 9.44 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.374 0.67 . . . . 72.329999999999998 110.59 175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -98.36 147.55 24.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.398 0.679 . . . . 74.010000000000005 109.772 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 24' ' ' LYS . 89.5 t -119.44 131.9 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.625 0.77 . . . . 72.310000000000002 109.236 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 83.5 m-85 -108.95 115.19 29.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.344 -0.984 . . . . 73.209999999999994 108.344 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' HG22 ' A' ' 56' ' ' VAL . 34.6 mm -91.33 131.33 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 109.493 -0.558 . . . . 73.120000000000005 109.493 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.611 ' HB2' HG13 ' A' ' 9' ' ' ILE . 74.3 mt -103.86 106.75 17.35 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.315 -0.994 . . . . 74.209999999999994 108.315 167.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.657 HD11 ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -78.39 127.79 32.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.729 -0.668 . . . . 73.340000000000003 109.28 -173.208 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -133.43 120.5 20.99 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 106.765 -1.568 . . . . 60.350000000000001 106.765 174.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -132.78 170.0 15.9 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.703 -0.851 . . . . 74.409999999999997 108.703 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -37.44 74.44 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.656 -0.868 . . . . 73.0 108.656 174.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.67 123.76 50.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.782 0.833 . . . . 75.349999999999994 108.977 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.1 -18.8 65.58 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.139 0.427 . . . . 45.520000000000003 111.224 173.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -54.86 -59.17 5.1 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.864 1.266 . . . . 72.099999999999994 109.922 167.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -74.08 -24.42 59.49 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.852 -1.067 . . . . 74.299999999999997 111.667 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.1 tt -60.54 -53.72 54.1 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 71.310000000000002 109.699 174.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.06 -39.89 91.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.839 0.856 . . . . 74.400000000000006 111.278 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.94 -40.65 91.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.835 0.854 . . . . 70.329999999999998 110.572 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HD2' HD11 ' A' ' 34' ' ' LEU . 38.8 ttmt -72.5 -26.76 61.9 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.843 0.857 . . . . 53.229999999999997 111.209 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.611 HG23 ' HB ' ' A' ' 56' ' ' VAL . 38.8 mt -59.0 -44.79 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.086 -0.709 . . . . 74.049999999999997 109.086 169.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -67.71 -39.07 84.36 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.148 0.579 . . . . 65.099999999999994 110.879 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.19 -55.0 38.5 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.95 0.781 . . . . 73.349999999999994 110.711 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 56' ' ' VAL . 65.2 mt -71.67 -36.93 70.79 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.204 -0.907 . . . . 63.409999999999997 112.043 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 30.2 mtpp -62.38 -42.0 99.08 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 118.604 0.638 . . . . 73.140000000000001 111.254 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 t -65.45 -30.43 71.22 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.216 0.606 . . . . 51.130000000000003 111.656 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' NE2' HD23 ' A' ' 49' ' ' LEU . 49.9 mt-30 -71.47 -22.39 61.82 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.775 0.43 . . . . 75.299999999999997 111.106 173.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.74 6.92 7.63 Favored Glycine 0 C--N 1.35 1.311 0 CA-C-O 119.652 -0.527 . . . . 64.150000000000006 113.96 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' LYS . 93.7 m-85 -85.33 160.8 19.73 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 117.647 0.724 . . . . 74.530000000000001 110.76 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -104.22 114.65 29.03 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.476 -1.305 . . . . 72.439999999999998 107.476 165.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.611 ' HB ' HG23 ' A' ' 46' ' ' ILE . 12.4 t -117.66 133.16 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.26 0.624 . . . . 65.430000000000007 109.815 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 3.3 mmp_? -127.23 152.48 47.33 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.689 0.796 . . . . 73.230000000000004 110.665 -176.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -92.3 125.55 37.01 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 108.006 -1.109 . . . . 74.430000000000007 108.006 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.533 HG11 HD13 ' A' ' 33' ' ' LEU . 5.6 m -121.06 178.78 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 123.901 0.88 . . . . 62.350000000000001 110.169 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -109.24 -96.58 0.39 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.562 0.745 . . . . 73.25 109.838 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -95.6 175.35 6.58 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.523 0.729 . . . . 73.400000000000006 109.159 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.7 t70 -64.23 -27.94 69.4 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.38 0.672 . . . . 72.120000000000005 111.011 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -54.55 -48.24 72.27 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.371 0.668 . . . . 65.209999999999994 111.267 167.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.4 -33.67 65.12 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.649 0.779 . . . . 74.439999999999998 111.132 -177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.489 HG23 HD12 ' A' ' 33' ' ' LEU . 93.6 mt -59.83 -49.17 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.797 -1.092 . . . . 63.130000000000003 110.041 171.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.11 -38.19 90.2 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.026 0.93 . . . . 62.109999999999999 111.124 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -72.07 -29.67 64.36 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.726 0.81 . . . . 74.5 110.549 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.414 ' HE3' HD12 ' A' ' 69' ' ' ILE . 55.8 t90 -70.36 -33.85 71.93 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.697 0.799 . . . . 63.43 110.333 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.561 HG12 ' HG3' ' A' ' 83' ' ' LYS . 1.8 mp -76.11 -36.46 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 C-N-CA 123.003 0.521 . . . . 75.230000000000004 109.638 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.14 -43.05 82.07 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.993 0.917 . . . . 72.439999999999998 111.771 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -66.42 -36.6 83.22 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 119.212 -0.423 . . . . 64.219999999999999 111.369 179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mt -70.17 -36.29 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.207 0.458 . . . . 72.230000000000004 110.401 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -69.94 -27.65 64.93 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.516 0.326 . . . . 74.450000000000003 110.591 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.1 ttmp? -79.16 -42.6 25.79 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.962 0.905 . . . . 74.519999999999996 111.629 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 16.8 mm-40 -82.77 -40.23 20.75 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.264 0.626 . . . . 74.439999999999998 110.33 -176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -129.65 83.55 64.15 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 123.937 0.895 . . . . 71.340000000000003 110.965 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.74 -5.95 18.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.928 2.419 . . . . 61.25 112.271 166.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.02 -7.14 38.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.317 1.047 . . . . 70.209999999999994 113.199 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 pp -141.44 144.34 34.37 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 124.058 0.943 . . . . 73.420000000000002 109.714 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.46 144.41 39.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.434 -0.58 . . . . 75.230000000000004 109.434 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -120.35 123.82 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 109.195 -0.669 . . . . 62.140000000000001 109.195 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -109.54 132.9 53.71 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.726 0.811 . . . . 71.450000000000003 109.451 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 69' ' ' ILE . 12.0 mtpt -95.47 121.28 36.98 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 108.721 -0.844 . . . . 70.219999999999999 108.721 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.66 HG21 HD13 ' A' ' 93' ' ' ILE . 69.4 t -122.02 89.54 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 N-CA-C 107.891 -1.151 . . . . 71.400000000000006 107.891 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 16.4 p -91.27 -25.02 19.67 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.011 0.524 . . . . 64.150000000000006 111.309 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -117.96 155.12 30.8 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 124.042 0.937 . . . . 71.019999999999996 110.129 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.78 -44.69 86.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.604 1.161 . . . . 62.32 112.738 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 7.6 p-10 -57.77 -37.87 74.44 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.614 0.571 . . . . 73.150000000000006 111.388 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.484 ' HB2' HG13 ' A' ' 84' ' ' VAL . 49.9 mt-30 -62.98 -41.23 99.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.17 0.588 . . . . 64.219999999999999 110.471 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.21 68.08 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.672 0.789 . . . . 63.530000000000001 111.914 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -79.1 -34.48 43.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.454 0.702 . . . . 73.310000000000002 111.816 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.9 mm100 -78.82 -36.6 42.34 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.628 0.371 . . . . 72.209999999999994 111.46 -176.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HG21 ' A' ' 84' ' ' VAL . 23.0 pt -62.28 -27.24 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 111.725 0.269 . . . . 73.420000000000002 111.725 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.727 HD11 HD22 ' A' ' 19' ' ' LEU . 95.7 mt -51.69 -42.76 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.51 0.324 . . . . 74.439999999999998 111.59 171.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -83.81 -28.83 27.82 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.721 0.808 . . . . 71.239999999999995 111.645 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.767 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 15.7 t70 -61.08 -47.92 84.08 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.957 0.903 . . . . 74.519999999999996 111.366 -173.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.6 mp -70.31 -20.55 63.0 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.98 -1.009 . . . . 75.439999999999998 110.82 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 28.1 mmmt -80.87 -31.64 35.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.214 0.605 . . . . 65.019999999999996 110.601 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.767 ' HE2' ' HA ' ' A' ' 96' ' ' ASP . 49.4 mtmt -59.91 -35.89 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.181 0.592 . . . . 70.019999999999996 110.567 172.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 100' ' ' LYS . 11.1 mmpt? -66.33 -28.08 68.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.565 -0.743 . . . . 64.420000000000002 111.897 -177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.09 -51.34 3.79 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 111.418 -0.673 . . . . 54.100000000000001 111.418 170.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m -105.54 92.96 4.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.057 0.943 . . . . 53.119999999999997 110.257 -175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.7 29.61 0.78 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.592 0.757 . . . . 55.43 111.501 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.18 172.49 8.01 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.938 0.895 . . . . 64.230000000000004 110.111 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -69.94 104.26 2.47 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 107.654 -1.239 . . . . 71.400000000000006 107.654 167.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -55.74 106.06 0.23 Allowed 'General case' 0 CA--C 1.548 0.877 0 O-C-N 124.043 0.839 . . . . 73.349999999999994 108.815 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -88.75 93.28 9.52 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.322 0.649 . . . . 75.530000000000001 111.586 -167.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 t60 40.25 78.34 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.981 1.312 . . . . 74.209999999999994 112.735 163.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -67.6 -32.62 73.47 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.802 -0.444 . . . . 73.530000000000001 109.802 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 . . . . . 0 CA--C 1.553 1.075 0 O-C-N 124.516 1.135 . . . . 74.019999999999996 108.544 174.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.372 -0.233 . . . . 64.129999999999995 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.92 -30.52 10.17 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.658 -0.577 . . . . 62.149999999999999 111.658 -173.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 m -68.7 103.56 1.77 Allowed 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.323 0.649 . . . . 54.119999999999997 109.841 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 20.7 ttpt -148.46 141.69 25.1 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.355 0.662 . . . . 70.25 109.501 -177.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 72' ' ' ILE . 46.8 pt -121.26 144.29 30.81 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 107.927 -1.138 . . . . 72.319999999999993 107.927 168.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.532 HG13 HG21 ' A' ' 23' ' ' ILE . 47.2 mm -113.13 106.91 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.919 -0.771 . . . . 72.430000000000007 108.919 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 69' ' ' ILE . 54.1 t -80.27 125.05 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 N-CA-C 109.376 -0.601 . . . . 71.310000000000002 109.376 171.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 HD12 ' HB2' ' A' ' 20' ' ' ALA . 37.0 mt -116.26 131.21 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.001 -0.74 . . . . 61.520000000000003 109.001 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.663 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 3.0 mp -96.24 92.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 105.906 -1.887 . . . . 74.230000000000004 105.906 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 t -100.49 123.12 44.29 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.521 -0.763 . . . . 62.310000000000002 110.343 -170.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -138.55 119.35 14.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.545 -1.28 . . . . 70.519999999999996 107.545 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 73.2 -79.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.137 1.375 . . . . 72.5 113.607 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.79 138.63 58.57 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 113.756 1.021 . . . . 75.530000000000001 113.756 -166.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.2 m -89.51 -14.82 34.39 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.27 -1.332 . . . . 75.239999999999995 111.973 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -29.64 69.75 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.973 -0.455 . . . . 72.239999999999995 111.704 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.13 -29.77 66.78 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.826 -0.435 . . . . 74.329999999999998 109.826 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HG2' HD21 ' A' ' 49' ' ' LEU . 33.0 mt-10 -76.53 -37.33 56.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.574 1.15 . . . . 72.319999999999993 109.708 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 35.5 mm-40 -62.99 -58.46 7.24 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 115.479 -0.782 . . . . 64.540000000000006 109.369 176.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.8 mt -54.0 -40.19 66.75 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 124.632 1.208 . . . . 63.240000000000002 110.797 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.44 -48.93 71.11 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.327 1.051 . . . . 53.100000000000001 112.046 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.1 ttp85 -68.59 -25.53 64.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 114.857 -1.065 . . . . 74.400000000000006 111.143 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 1.8 mptm? -83.82 -35.95 23.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.329 0.652 . . . . 64.120000000000005 111.718 177.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.532 HG21 HG13 ' A' ' 6' ' ' ILE . 74.3 mt -56.92 -52.19 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 123.599 0.76 . . . . 73.540000000000006 110.638 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB3' HG23 ' A' ' 30' ' ' VAL . 16.7 ptpt -60.25 -22.4 63.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 124.176 0.922 . . . . 75.040000000000006 112.909 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.21 -23.93 65.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.329 0.652 . . . . 71.099999999999994 111.78 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -69.96 -1.54 9.95 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.361 0.664 . . . . 72.209999999999994 112.533 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.47 26.08 7.45 Favored Glycine 0 C--N 1.345 1.071 0 C-N-CA 122.968 0.318 . . . . 43.219999999999999 112.819 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 2.4 pt? -128.57 176.57 7.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.469 0.708 . . . . 75.019999999999996 110.545 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -107.0 153.0 23.24 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.709 0.403 . . . . 71.439999999999998 110.074 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 24' ' ' LYS . 88.7 t -119.37 127.5 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 123.69 0.796 . . . . 64.420000000000002 109.615 175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -103.24 154.74 19.02 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 107.368 -1.345 . . . . 75.319999999999993 107.368 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 49' ' ' LEU . 31.9 mm -124.97 134.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 108.597 -0.89 . . . . 62.109999999999999 108.597 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD13 HG11 ' A' ' 59' ' ' VAL . 28.8 mt -104.68 113.21 26.65 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 108.642 -0.873 . . . . 53.020000000000003 108.642 164.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.683 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 122.34 39.8 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.848 -0.797 . . . . 40.210000000000001 108.848 -176.124 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.61 116.25 8.67 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 107.687 -1.227 . . . . 70.349999999999994 107.687 172.168 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' H ' HD12 ' A' ' 42' ' ' LEU . 31.7 t70 -134.05 162.76 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.419 0.687 . . . . 74.140000000000001 109.673 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HB2' ' HZ3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -69.57 -25.33 63.94 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.809 0.843 . . . . 73.549999999999997 111.685 -178.652 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.39 112.77 23.56 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.948 0.899 . . . . 64.450000000000003 109.103 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -29.29 61.57 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.629 0.772 . . . . 73.310000000000002 111.353 168.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -56.07 -58.19 8.97 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.237 1.015 . . . . 60.299999999999997 110.76 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.86 -30.5 62.69 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.342 -0.845 . . . . 73.340000000000003 111.09 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 34' ' ' LEU . 8.3 tt -58.48 -50.64 73.0 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.249 1.02 . . . . 72.049999999999997 110.088 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.38 -47.04 82.73 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.46 1.104 . . . . 74.409999999999997 111.319 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.93 -45.32 93.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.599 -0.728 . . . . 64.010000000000005 110.078 178.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -61.33 -39.52 90.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.289 1.036 . . . . 70.310000000000002 111.849 -174.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 56' ' ' VAL . 43.6 mt -55.96 -49.58 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.867 0.73 . . . . 74.430000000000007 109.964 175.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.417 HE21 HG22 ' A' ' 46' ' ' ILE . 29.0 mm-40 -71.51 -26.44 62.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.156 0.582 . . . . 75.219999999999999 112.002 -175.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 32.8 mmtp -72.52 -39.0 67.91 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.936 0.398 . . . . 71.140000000000001 109.985 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.1 mt -72.08 -39.19 69.15 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.446 -0.797 . . . . 71.129999999999995 111.041 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 47.0 mtpt -66.78 -32.53 73.88 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.452 0.301 . . . . 74.239999999999995 110.584 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.3 t -61.65 -41.76 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 122.908 0.483 . . . . 75.099999999999994 110.991 169.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' NE2' HD23 ' A' ' 49' ' ' LEU . 47.2 mt-30 -72.31 -13.72 61.57 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.542 0.737 . . . . 74.430000000000007 111.492 174.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.71 52.81 1.75 Allowed Glycine 0 C--N 1.35 1.332 0 C-N-CA 123.304 0.478 . . . . 41.509999999999998 112.516 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -123.42 143.27 50.24 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.442 0.697 . . . . 70.329999999999998 110.318 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.42 87.62 7.47 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.531 -0.914 . . . . 74.329999999999998 108.531 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 46' ' ' ILE . 8.0 t -97.09 131.42 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.185 -0.916 . . . . 52.530000000000001 110.505 -171.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -133.12 141.14 48.0 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.866 1.266 . . . . 74.549999999999997 108.022 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -87.04 139.16 30.85 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.851 0.46 . . . . 75.140000000000001 109.921 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG11 HD13 ' A' ' 33' ' ' LEU . 9.8 m -137.91 177.81 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.328 1.051 . . . . 75.439999999999998 108.592 176.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -103.84 -78.34 0.56 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.289 0.636 . . . . 74.129999999999995 111.289 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -124.03 176.24 6.47 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.874 0.87 . . . . 64.230000000000004 108.748 -169.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.583 ' HA ' ' HB ' ' A' ' 65' ' ' ILE . 23.3 t70 -71.72 -15.25 62.19 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.934 0.397 . . . . 74.120000000000005 110.847 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.13 -48.53 76.05 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.386 0.675 . . . . 72.450000000000003 109.571 165.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.54 -42.81 58.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.28 1.032 . . . . 73.200000000000003 110.501 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.594 HG22 ' HD2' ' A' ' 83' ' ' LYS . 94.3 mt -63.52 -55.37 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 123.861 0.865 . . . . 73.109999999999999 111.189 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 83' ' ' LYS . 36.1 t70 -59.5 -34.45 72.62 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.049 0.54 . . . . 61.0 111.286 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -77.57 -31.73 53.33 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.137 1.375 . . . . 74.329999999999998 110.76 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' O ' HG12 ' A' ' 72' ' ' ILE . 40.0 t90 -69.13 -43.15 74.97 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.413 1.085 . . . . 74.519999999999996 110.195 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD11 HG11 ' A' ' 7' ' ' VAL . 2.0 mp -72.76 -38.72 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.146 0.578 . . . . 34.420000000000002 109.59 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.72 -43.43 76.52 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.1 0.96 . . . . 72.319999999999993 111.018 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -74.65 -34.65 62.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.029 -0.51 . . . . 73.109999999999999 111.276 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 68' ' ' TRP . 43.7 mm -61.05 -38.32 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 118.317 0.508 . . . . 72.230000000000004 110.154 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -72.9 -27.78 62.09 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.753 0.649 . . . . 74.239999999999995 112.753 -177.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -89.16 -38.14 14.52 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 120.727 0.299 . . . . 74.430000000000007 110.664 -177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.45 -39.13 68.04 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.762 0.825 . . . . 70.129999999999995 109.808 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -122.33 79.49 45.08 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 124.274 1.03 . . . . 61.340000000000003 108.911 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -80.48 9.77 3.55 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.748 2.299 . . . . 70.040000000000006 112.809 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -75.88 -45.51 35.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.731 0.813 . . . . 74.310000000000002 109.56 174.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -110.45 137.7 47.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.416 0.686 . . . . 64.519999999999996 110.478 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.92 152.54 21.99 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.601 -0.888 . . . . 70.439999999999998 108.601 172.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' HB ' HG23 ' A' ' 69' ' ' ILE . 16.4 t -128.59 143.6 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 109.805 -0.443 . . . . 64.230000000000004 109.805 -174.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' HG2' HG21 ' A' ' 93' ' ' ILE . 12.4 tpt180 -126.54 131.65 51.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.062 0.945 . . . . 73.540000000000006 109.611 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.594 ' HD2' HG22 ' A' ' 65' ' ' ILE . 38.9 mtmt -84.05 138.06 33.27 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.854 0.861 . . . . 73.439999999999998 109.241 170.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 90' ' ' ALA . 43.9 t -130.11 94.0 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.735 0.814 . . . . 71.349999999999994 109.443 176.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.663 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 66.7 p -81.8 -30.43 32.23 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 120.899 0.381 . . . . 72.340000000000003 112.011 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-20 -119.39 158.46 26.11 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.432 0.693 . . . . 73.439999999999998 111.105 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -50.21 -47.42 54.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.164 1.386 . . . . 75.439999999999998 111.597 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 37.1 t70 -63.06 -31.65 72.84 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.9 -0.591 . . . . 72.439999999999998 111.549 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.472 ' HB2' HG13 ' A' ' 84' ' ' VAL . 11.0 mm100 -67.62 -35.88 79.77 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.692 0.397 . . . . 52.329999999999998 110.636 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -67.99 -34.14 75.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.861 -0.609 . . . . 65.030000000000001 111.076 172.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 8.8 mtpm? -69.51 -40.71 76.8 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.149 0.579 . . . . 73.129999999999995 111.057 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.5 mm-40 -66.32 -47.02 74.89 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.573 0.546 . . . . 61.340000000000003 110.016 -176.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 40.4 pt -66.31 -28.62 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 112.655 0.613 . . . . 72.349999999999994 112.655 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 35.9 mt -57.54 -51.05 71.04 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 118.391 0.541 . . . . 74.420000000000002 109.683 170.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.15 -26.63 67.52 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.517 1.127 . . . . 74.239999999999995 111.574 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.5 t70 -80.89 -27.58 36.22 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.137 0.975 . . . . 74.129999999999995 111.019 -175.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 93' ' ' ILE . 8.8 mp -80.51 -14.86 57.89 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.281 0.633 . . . . 72.140000000000001 110.073 174.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 26.2 mmmt -85.95 -42.1 14.32 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.444 -0.576 . . . . 74.219999999999999 109.444 173.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -64.95 -39.45 93.52 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.506 0.722 . . . . 52.43 109.776 173.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt 44.57 -67.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 127.692 2.397 . . . . 54.219999999999999 115.852 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.75 84.79 0.11 Allowed Glycine 0 C--N 1.349 1.283 0 N-CA-C 114.156 0.422 . . . . 72.209999999999994 114.156 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 m -74.28 -14.22 60.88 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.896 0.878 . . . . 74.450000000000003 110.746 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt 63.72 19.75 11.88 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.429 1.491 . . . . 72.129999999999995 111.975 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -124.86 85.12 2.37 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.969 0.907 . . . . 72.219999999999999 109.944 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -149.72 -49.26 0.14 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.702 -1.592 . . . . 64.239999999999995 106.702 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -112.85 90.11 3.26 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 107.196 -1.409 . . . . 72.310000000000002 107.196 164.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -65.66 -19.61 65.97 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.893 -0.505 . . . . 65.540000000000006 111.219 -176.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -69.83 82.53 0.46 Allowed 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.83 0.824 . . . . 53.509999999999998 110.236 169.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -146.29 25.89 1.21 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.526 1.53 . . . . 73.109999999999999 106.926 169.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.8 t60 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.33 1.452 . . . . 62.520000000000003 107.589 -174.453 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 ttp . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.071 -0.714 . . . . 73.340000000000003 109.071 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.41 85.37 0.1 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 110.398 -1.081 . . . . 62.210000000000001 110.398 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 m -83.8 156.31 22.57 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.037 0.935 . . . . 75.530000000000001 111.848 -171.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.6 ttmm -104.35 153.29 21.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 106.384 -1.71 . . . . 43.43 106.384 159.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 81' ' ' VAL . 39.1 pt -134.19 148.82 29.88 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 CA-C-O 121.334 0.588 . . . . 73.25 109.502 169.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.9 mm -116.35 126.86 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.014 -1.106 . . . . 74.030000000000001 108.014 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 31' ' ' TYR . 83.4 t -104.94 114.64 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.111 -1.07 . . . . 72.040000000000006 108.111 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.1 mt -104.8 120.65 55.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.908 -0.775 . . . . 64.219999999999999 108.908 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.59 91.35 3.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 106.507 -1.664 . . . . 73.010000000000005 106.507 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.679 ' HA ' HD13 ' A' ' 16' ' ' LEU . 8.7 t -87.96 111.96 22.05 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 115.903 -0.589 . . . . 71.230000000000004 110.896 -170.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -82.23 -145.06 0.06 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.949 1.3 . . . . 44.210000000000001 109.388 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.3 -25.11 54.49 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 123.151 0.581 . . . . 63.43 110.719 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.8 130.07 43.25 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.343 0.657 . . . . 70.340000000000003 111.407 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 13.4 t -89.53 -18.48 26.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 122.84 0.456 . . . . 55.219999999999999 111.943 -178.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 m -57.33 -30.89 65.17 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.585 0.63 . . . . 74.299999999999997 111.51 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 10' ' ' SER . 11.5 mt -57.12 -55.62 32.36 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.662 1.185 . . . . 73.019999999999996 111.652 176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.75 -24.08 56.06 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.405 1.082 . . . . 73.409999999999997 111.944 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 14' ' ' THR . 43.9 mt-10 -70.23 -50.92 34.88 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.967 0.507 . . . . 72.099999999999994 110.138 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 67.8 mt -64.35 -32.32 73.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.847 0.859 . . . . 63.409999999999997 111.395 178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.34 -37.41 7.43 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.135 1.374 . . . . 64.150000000000006 113.468 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -72.02 -42.3 66.52 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.109 -0.496 . . . . 53.100000000000001 111.35 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 11.4 mptt -58.65 -36.43 74.12 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.059 0.544 . . . . 74.200000000000003 110.677 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.35 -56.86 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 O-C-N 123.491 0.495 . . . . 74.519999999999996 110.613 173.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HB3' HG23 ' A' ' 30' ' ' VAL . 14.5 ptpt -67.85 -19.3 65.03 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.523 0.935 . . . . 72.420000000000002 113.523 -172.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -65.73 -10.8 40.16 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 112.735 0.643 . . . . 75.129999999999995 112.735 172.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.28 -15.27 60.98 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.106 0.562 . . . . 63.530000000000001 111.388 170.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.44 25.65 4.87 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.371 -0.127 . . . . 53.43 113.31 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -127.58 175.85 7.94 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.449 0.7 . . . . 44.299999999999997 110.185 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -100.45 152.01 20.87 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.728 0.411 . . . . 65.219999999999999 111.015 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 24' ' ' LYS . 95.9 t -120.49 125.83 74.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 C-N-CA 124.061 0.944 . . . . 71.420000000000002 109.581 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.501 ' HB2' HG22 ' A' ' 7' ' ' VAL . 14.7 m-85 -104.74 126.91 52.29 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 107.274 -1.38 . . . . 73.319999999999993 107.274 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.3 mm -101.82 128.37 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.119 -0.697 . . . . 53.420000000000002 109.119 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 HG23 ' A' ' 65' ' ' ILE . 37.5 mt -100.23 107.4 19.22 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.238 -0.653 . . . . 71.420000000000002 109.238 169.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 10' ' ' SER . 0.2 OUTLIER -86.77 128.19 35.02 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.104 -0.953 . . . . 55.340000000000003 109.205 -174.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -130.62 121.32 25.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.763 0.825 . . . . 62.340000000000003 109.415 174.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.609 ' H ' HD12 ' A' ' 42' ' ' LEU . 23.1 t70 -135.27 165.41 25.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.152 0.981 . . . . 73.120000000000005 108.885 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.548 ' N ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -70.91 -20.54 62.47 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.065 0.546 . . . . 63.32 110.979 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.4 122.15 32.83 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.085 0.954 . . . . 51.299999999999997 108.84 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.74 -31.56 62.64 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.847 1.259 . . . . 72.450000000000003 113.975 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 10.5 mmpt? -80.92 -36.67 30.79 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 117.723 0.238 . . . . 72.019999999999996 110.641 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -65.58 -41.2 93.13 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.514 0.673 . . . . 62.520000000000003 110.05 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.2 tt -52.62 -45.62 66.69 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.551 1.54 . . . . 74.25 110.478 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.52 -31.93 65.73 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.518 1.127 . . . . 74.219999999999999 112.519 -172.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 52.9 mt-10 -64.28 -41.65 96.79 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.189 0.519 . . . . 74.439999999999998 109.822 177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -67.77 -32.86 73.73 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.053 -0.976 . . . . 71.530000000000001 111.052 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.521 HG23 ' HB ' ' A' ' 56' ' ' VAL . 37.9 mt -58.73 -42.02 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 N-CA-C 109.531 -0.544 . . . . 53.210000000000001 109.531 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -66.74 -38.66 87.09 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.011 0.524 . . . . 65.519999999999996 111.145 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 10.8 mmpt? -60.03 -46.39 89.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.433 0.693 . . . . 72.530000000000001 111.556 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' A' ' 56' ' ' VAL . 81.4 mt -79.67 -31.74 41.43 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.292 -0.867 . . . . 61.130000000000003 111.793 -174.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -65.91 -38.08 87.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.925 0.49 . . . . 64.109999999999999 110.644 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -61.26 -33.33 73.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.351 0.66 . . . . 64.25 111.299 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.59 ' NE2' HD23 ' A' ' 49' ' ' LEU . 50.6 mt-30 -79.97 -11.26 59.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.885 0.874 . . . . 72.319999999999993 111.902 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.01 27.16 10.48 Favored Glycine 0 C--N 1.348 1.23 0 N-CA-C 113.896 0.318 . . . . 75.129999999999995 113.896 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -100.23 138.51 37.19 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 108.995 -0.743 . . . . 52.130000000000003 108.995 175.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -81.55 90.73 6.28 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.31 -0.626 . . . . 70.030000000000001 109.31 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.705 HG21 ' HB2' ' A' ' 49' ' ' LEU . 10.2 t -97.81 134.26 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 115.673 -0.694 . . . . 74.439999999999998 109.711 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -128.67 155.5 44.92 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.443 0.697 . . . . 75.310000000000002 110.502 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 42' ' ' LEU . 10.0 tmtt? -93.06 132.54 37.07 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.456 -1.247 . . . . 74.209999999999994 108.177 -177.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 m -123.38 150.04 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.037 0.935 . . . . 74.010000000000005 109.499 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -78.52 -32.89 48.28 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.592 0.357 . . . . 74.299999999999997 110.601 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -170.6 -172.98 1.31 Allowed 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.822 0.701 . . . . 72.329999999999998 110.631 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -72.98 -35.8 66.96 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.377 1.071 . . . . 75.439999999999998 112.43 -176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.1 -32.67 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.296 0.638 . . . . 74.540000000000006 111.262 171.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -73.79 -35.37 64.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.733 0.813 . . . . 73.319999999999993 111.086 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 HD12 ' A' ' 33' ' ' LEU . 70.7 mt -58.88 -45.61 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 124.05 0.844 . . . . 73.120000000000005 112.492 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.18 -45.5 87.4 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 118.047 0.385 . . . . 64.019999999999996 111.012 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -61.76 -34.01 75.1 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.381 -0.827 . . . . 60.299999999999997 111.58 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 29.2 t90 -67.33 -45.26 76.96 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.547 0.739 . . . . 71.540000000000006 110.445 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.479 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -69.12 -40.46 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 122.505 0.322 . . . . 73.439999999999998 110.17 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.08 -40.19 94.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.448 0.699 . . . . 74.239999999999995 111.528 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 68' ' ' TRP . 15.9 ptpt -72.32 -31.98 66.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 119.124 -0.465 . . . . 72.540000000000006 111.336 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 68' ' ' TRP . 34.2 mm -68.42 -39.53 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 122.612 0.365 . . . . 74.099999999999994 110.774 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.79 -27.81 67.88 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.429 -0.351 . . . . 62.32 110.942 175.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 74' ' ' LYS . 4.3 ttmp? -83.88 -38.72 20.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.806 0.842 . . . . 62.43 111.549 -176.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 22.1 mm-40 -78.57 -38.6 39.79 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.1 0.56 . . . . 73.340000000000003 109.897 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.597 ' HE ' HD21 ' A' ' 79' ' ' LEU . 66.8 mtp85 -123.08 83.95 51.07 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.457 1.103 . . . . 64.430000000000007 108.776 -176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -85.78 4.05 6.77 Favored 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 122.986 2.457 . . . . 73.310000000000002 113.725 -176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -101.26 20.21 16.22 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.198 0.599 . . . . 64.209999999999994 111.018 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.597 HD21 ' HE ' ' A' ' 76' ' ' ARG . 2.7 pp -142.45 157.74 44.44 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.159 0.584 . . . . 73.219999999999999 111.66 170.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.498 ' HG2' ' HG3' ' A' ' 4' ' ' LYS . 2.5 pm0 -102.65 148.48 25.52 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.804 1.242 . . . . 73.219999999999999 109.059 173.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 5' ' ' ILE . 39.4 t -124.46 128.5 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.166 0.586 . . . . 74.439999999999998 110.723 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -111.94 139.28 47.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.431 1.092 . . . . 70.329999999999998 109.109 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.479 ' HG2' HG12 ' A' ' 69' ' ' ILE . 41.5 mtmt -98.89 131.13 45.22 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.698 -0.852 . . . . 73.129999999999995 108.698 172.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 93' ' ' ILE . 75.1 t -122.69 101.75 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.15 0.98 . . . . 64.439999999999998 109.957 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.9 p -85.83 -54.93 4.22 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.333 0.253 . . . . 71.420000000000002 110.368 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.54 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 12.1 m-20 -87.32 151.65 22.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.485 0.714 . . . . 62.43 110.219 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -64.48 -28.45 69.67 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.905 0.482 . . . . 74.430000000000007 110.089 171.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -57.07 -38.16 72.91 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.251 1.42 . . . . 73.450000000000003 111.26 172.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 13.0 mm100 -74.33 -31.34 62.41 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.472 -0.785 . . . . 60.240000000000002 110.742 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.47 66.81 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.155 0.582 . . . . 73.150000000000006 111.582 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 29.4 mtpp -75.74 -32.48 60.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.498 0.719 . . . . 70.129999999999995 110.208 174.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.69 -52.19 27.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.937 0.895 . . . . 73.349999999999994 111.277 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.586 HD13 HG21 ' A' ' 84' ' ' VAL . 30.0 pt -60.3 -25.81 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 112.841 0.682 . . . . 63.43 112.841 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 82.1 mt -53.88 -42.74 68.96 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.31 0.244 . . . . 71.129999999999995 110.827 170.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.46 -24.88 27.22 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.939 0.895 . . . . 74.319999999999993 112.144 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER -77.72 -30.94 51.97 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.432 0.693 . . . . 64.109999999999999 111.297 -170.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.28 -18.72 60.0 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.833 0.453 . . . . 75.25 110.194 171.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 27.2 mmmt -81.81 -26.19 34.58 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.676 0.391 . . . . 63.240000000000002 110.685 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -53.38 -68.88 0.14 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 108.68 -0.859 . . . . 53.140000000000001 108.68 169.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -160.56 178.84 9.12 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.716 1.606 . . . . 73.219999999999999 108.099 169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.69 -32.94 82.84 Favored Glycine 0 C--N 1.35 1.322 0 N-CA-C 111.233 -0.747 . . . . 61.299999999999997 111.233 167.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.3 m -86.53 114.06 22.95 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.601 -0.889 . . . . 53.32 108.601 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -73.55 -7.32 51.37 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.99 0.916 . . . . 74.140000000000001 112.041 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -141.46 -170.32 3.06 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.809 0.444 . . . . 75.200000000000003 110.992 -176.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -83.5 55.81 3.34 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.443 1.097 . . . . 71.099999999999994 111.055 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 66.1 t60 51.68 49.47 20.77 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 125.061 1.344 . . . . 63.539999999999999 112.805 168.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.424 ' CE1' ' HG3' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -84.74 -21.9 29.87 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.694 -0.629 . . . . 75.230000000000004 111.076 175.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -93.14 144.84 24.89 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 110.0 -0.37 . . . . 74.400000000000006 110.0 176.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -167.57 43.85 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.759 1.224 . . . . 74.230000000000004 107.776 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 N--CA 1.484 1.232 0 C-N-CA 125.895 1.678 . . . . 51.25 107.709 -159.485 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 108.071 -1.085 . . . . 74.230000000000004 108.071 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.48 -156.77 19.13 Favored Glycine 0 C--N 1.338 0.663 0 CA-C-N 114.898 -1.046 . . . . 70.340000000000003 110.7 172.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m -66.17 129.37 39.59 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.73 -0.841 . . . . 75.420000000000002 108.73 168.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.562 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 12.8 ttmm -132.18 148.53 52.47 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.86 -0.422 . . . . 65.409999999999997 109.86 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 72' ' ' ILE . 45.4 pt -136.32 146.61 28.73 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.646 -1.242 . . . . 71.239999999999995 107.646 163.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.0 mm -115.12 138.56 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.682 -1.229 . . . . 72.200000000000003 107.682 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 91.9 t -117.57 116.26 51.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.299 -1.371 . . . . 72.530000000000001 107.299 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 20' ' ' ALA . 44.2 mt -107.53 127.42 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.259 -0.645 . . . . 52.119999999999997 109.259 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.5 mp -92.46 93.49 4.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 106.124 -1.806 . . . . 61.450000000000003 106.124 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -88.55 104.74 17.11 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.89 -1.05 . . . . 52.009999999999998 110.098 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.474 ' OG ' ' HD3' ' A' ' 35' ' ' LYS . 13.6 m -125.45 106.46 9.81 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.364 -0.835 . . . . 55.520000000000003 109.076 178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 74.17 -68.76 0.21 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.34 1.456 . . . . 71.230000000000004 111.653 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.73 149.62 39.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.14 0.976 . . . . 53.450000000000003 112.942 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -103.54 -23.68 13.48 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 124.839 1.256 . . . . 74.409999999999997 112.228 -175.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -62.56 -26.6 68.66 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 123.3 0.64 . . . . 73.450000000000003 111.5 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.12 -45.32 87.48 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.279 1.032 . . . . 64.299999999999997 110.694 173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -79.34 -29.2 42.17 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.392 -1.276 . . . . 75.120000000000005 110.206 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.42 -49.47 71.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.558 1.143 . . . . 72.239999999999995 109.026 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 HD11 ' A' ' 94' ' ' LEU . 94.1 mt -67.19 -29.44 69.12 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.654 -1.157 . . . . 72.010000000000005 111.421 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -53.04 -37.44 61.57 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.92 0.888 . . . . 53.109999999999999 112.54 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.9 -38.18 89.92 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.177 0.991 . . . . 73.530000000000001 111.254 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.81 -40.0 63.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.789 0.835 . . . . 74.25 110.493 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.78 -57.26 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 122.841 0.456 . . . . 71.129999999999995 110.259 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 30' ' ' VAL . 15.8 ptpt -65.82 -18.67 65.49 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.041 0.756 . . . . 75.510000000000005 113.041 -174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.65 -22.36 45.25 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.604 0.762 . . . . 74.310000000000002 112.175 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HG3' HD23 ' A' ' 97' ' ' LEU . 30.5 mm-40 -69.97 -23.09 63.11 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.264 0.626 . . . . 73.439999999999998 112.388 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.68 37.78 0.88 Allowed Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.441 -0.345 . . . . 21.34 112.64 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.47 177.24 7.13 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.466 0.706 . . . . 55.25 110.235 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -101.81 150.84 22.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.459 0.704 . . . . 74.299999999999997 110.421 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 24' ' ' LYS . 85.8 t -121.95 132.15 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.558 0.743 . . . . 71.340000000000003 109.939 173.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 73.2 m-85 -107.3 114.2 28.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.527 1.131 . . . . 72.349999999999994 108.526 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 HD13 ' A' ' 49' ' ' LEU . 44.4 mm -92.62 121.55 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.752 -0.832 . . . . 74.109999999999999 108.752 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 HG11 ' A' ' 59' ' ' VAL . 54.6 mt -101.12 103.16 14.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.474 -0.936 . . . . 73.200000000000003 108.474 175.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.25 118.66 28.0 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 106.593 -1.632 . . . . 64.310000000000002 106.593 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.626 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 8.6 mtpm? -101.09 113.43 26.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.761 -0.829 . . . . 62.039999999999999 108.761 -178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -140.55 162.26 35.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.201 0.6 . . . . 74.420000000000002 109.541 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -102.04 -6.52 23.27 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.319 0.648 . . . . 74.340000000000003 111.525 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.39 178.69 4.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.803 0.841 . . . . 65.049999999999997 109.853 -173.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.17 6.81 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.796 0.438 . . . . 74.140000000000001 111.802 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.11 -59.61 2.91 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.866 0.466 . . . . 71.140000000000001 111.497 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -67.48 -42.53 82.79 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.143 0.977 . . . . 63.109999999999999 110.707 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -49.9 -58.3 5.71 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.256 0.973 . . . . 72.430000000000007 112.073 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 43.2 tt0 -66.45 -32.65 74.15 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.674 0.609 . . . . 71.430000000000007 111.012 -172.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 38.6 mm-40 -61.47 -57.01 13.87 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.207 -0.664 . . . . 75.349999999999994 109.207 176.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -54.4 -45.78 72.99 Favored 'General case' 0 CA--C 1.554 1.103 0 O-C-N 124.534 1.146 . . . . 73.310000000000002 111.995 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 56' ' ' VAL . 51.0 mt -54.74 -50.61 59.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 O-C-N 124.2 0.938 . . . . 72.400000000000006 110.501 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 15.1 mm100 -68.26 -29.5 68.31 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.343 0.497 . . . . 74.510000000000005 112.343 -176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 68.8 mmtt -66.54 -42.51 87.05 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.451 0.643 . . . . 73.319999999999993 109.868 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.63 ' HB2' HG21 ' A' ' 56' ' ' VAL . 54.0 mt -72.71 -39.5 66.92 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.977 -1.01 . . . . 74.349999999999994 111.421 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -66.53 -32.62 74.09 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.851 0.46 . . . . 71.219999999999999 110.918 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 t -59.48 -35.67 74.54 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.518 0.727 . . . . 51.439999999999998 111.24 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.98 -14.53 60.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.553 0.741 . . . . 74.120000000000005 111.456 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.68 1.55 Allowed Glycine 0 C--N 1.348 1.202 0 N-CA-C 112.021 -0.431 . . . . 63.229999999999997 112.021 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.3 141.24 52.19 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.783 0.833 . . . . 72.430000000000007 109.982 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -80.97 85.52 6.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.327 0.651 . . . . 64.230000000000004 109.285 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG21 ' HB2' ' A' ' 49' ' ' LEU . 13.6 t -95.84 134.82 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.173 0.589 . . . . 73.349999999999994 110.246 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.493 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 85.0 mmt-85 -130.99 166.46 20.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.958 0.903 . . . . 62.039999999999999 110.527 -178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -99.1 127.57 45.08 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.391 -1.277 . . . . 63.039999999999999 108.39 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 33' ' ' LEU . 13.0 m -128.61 157.42 41.21 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 C-N-CA 123.907 0.883 . . . . 52.329999999999998 108.738 171.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -82.06 -70.82 0.52 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 109.194 -0.669 . . . . 72.219999999999999 109.194 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.626 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 4.1 t70 -142.19 -174.35 4.08 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.588 -0.733 . . . . 72.329999999999998 109.912 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' HA ' HD12 ' A' ' 65' ' ' ILE . 35.0 t70 -72.37 -21.22 61.33 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.765 0.426 . . . . 75.239999999999995 111.735 -169.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -58.98 -45.39 90.7 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.487 0.715 . . . . 73.120000000000005 110.533 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.55 -35.28 75.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.397 1.079 . . . . 71.109999999999999 110.819 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG22 ' HD2' ' A' ' 83' ' ' LYS . 84.5 mt -63.99 -41.73 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 114.634 -1.166 . . . . 71.319999999999993 111.443 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.66 -40.66 84.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 117.941 0.337 . . . . 64.129999999999995 111.221 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -69.76 -34.92 74.44 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.965 0.791 . . . . 71.450000000000003 110.709 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 50.2 t90 -69.56 -33.63 73.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.221 -0.9 . . . . 75.109999999999999 110.56 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -78.97 -37.53 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.403 0.681 . . . . 73.150000000000006 109.817 173.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.76 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 32.9 t70 -59.7 -41.51 90.93 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.971 -1.013 . . . . 63.140000000000001 111.539 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -62.68 -40.83 98.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.68 -0.691 . . . . 73.400000000000006 111.051 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 5' ' ' ILE . 60.0 mt -67.11 -32.08 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.088 0.555 . . . . 71.319999999999993 110.512 -176.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 46.9 mtmt -60.04 -38.28 82.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.256 174.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.59 -48.41 12.73 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.184 0.594 . . . . 73.329999999999998 110.956 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -66.0 -44.61 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.259 -0.882 . . . . 54.520000000000003 111.054 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -125.7 71.63 67.25 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 114.902 -1.044 . . . . 72.510000000000005 109.17 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.0 17.41 1.55 Allowed 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.826 2.351 . . . . 52.520000000000003 112.869 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -103.39 0.72 31.65 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.297 1.039 . . . . 52.149999999999999 111.198 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.77 169.96 15.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.234 0.613 . . . . 62.329999999999998 111.259 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.562 ' HG3' ' HG3' ' A' ' 4' ' ' LYS . 6.1 pt-20 -114.9 137.42 51.99 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.342 1.057 . . . . 74.420000000000002 108.859 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 t -120.69 130.33 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.529 0.732 . . . . 63.310000000000002 109.378 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -127.03 125.44 41.41 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.056 0.542 . . . . 60.399999999999999 110.634 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 65' ' ' ILE . 37.1 mtmt -76.58 132.26 39.38 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.508 0.723 . . . . 74.420000000000002 110.235 171.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 89' ' ' GLN . 66.6 t -123.65 91.58 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.047 -1.094 . . . . 61.439999999999998 108.047 174.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.715 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 55.5 p -82.17 -41.18 20.71 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.356 0.598 . . . . 65.310000000000002 110.219 -178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.46 156.83 18.54 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.282 -0.872 . . . . 72.129999999999995 110.449 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.25 -39.38 86.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.447 1.099 . . . . 71.109999999999999 111.687 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.42 -30.12 66.64 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.944 0.898 . . . . 74.310000000000002 111.471 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.575 ' HB2' HG13 ' A' ' 84' ' ' VAL . 9.7 mm100 -71.98 -39.59 69.2 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.310000000000002 110.276 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.69 -37.18 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.518 0.727 . . . . 34.109999999999999 111.396 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 94' ' ' LEU . 56.1 mtpt -75.04 -29.53 60.79 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.65 0.78 . . . . 72.230000000000004 110.278 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.55 -46.48 54.25 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.349 0.659 . . . . 71.530000000000001 110.958 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 97' ' ' LEU . 32.1 pt -66.17 -23.79 32.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 116.417 -0.356 . . . . 53.020000000000003 111.525 176.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD22 ' A' ' 19' ' ' LEU . 86.7 mt -64.55 -44.93 89.22 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 117.852 0.296 . . . . 74.239999999999995 110.333 168.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 99' ' ' LYS . 54.8 mt-10 -63.89 -30.06 71.18 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.746 0.418 . . . . 74.420000000000002 111.146 173.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 35.8 t70 -82.05 -32.54 30.35 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.502 -0.772 . . . . 73.120000000000005 111.145 -173.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 93' ' ' ILE . 5.8 mp -75.34 -29.33 59.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.348 0.659 . . . . 52.509999999999998 110.703 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -37.6 26.38 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.714 0.406 . . . . 74.430000000000007 111.651 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 9.8 ptmm? -76.08 -11.85 60.01 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 110.39 -0.226 . . . . 75.239999999999995 110.39 168.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? 65.43 91.05 0.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.568 1.547 . . . . 72.340000000000003 110.645 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.22 138.05 34.0 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 115.079 -0.964 . . . . 62.530000000000001 112.431 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.5 t -168.05 165.79 13.35 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.419 0.688 . . . . 71.340000000000003 110.277 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.8 -7.53 28.49 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.897 0.879 . . . . 63.399999999999999 111.524 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 108' ' ' HIS . 38.9 mt-10 -76.81 40.43 0.24 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 125.49 1.516 . . . . 75.439999999999998 113.022 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -80.67 -9.11 59.81 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.413 0.685 . . . . 65.5 109.926 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -88.71 47.5 1.51 Allowed 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 125.089 1.356 . . . . 71.25 109.727 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.7 m80 70.11 126.21 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 125.591 1.556 . . . . 73.400000000000006 111.623 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.594 ' HB3' ' HB3' ' A' ' 104' ' ' GLU . 20.3 p80 -130.73 119.15 21.92 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.924 0.889 . . . . 72.400000000000006 109.699 -177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -167.93 138.75 2.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.854 -1.165 . . . . 73.409999999999997 107.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 . . . . . 0 CA--C 1.551 1.009 0 CA-C-O 118.641 -0.695 . . . . 64.319999999999993 109.488 174.499 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.685 -0.487 . . . . 70.209999999999994 109.685 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.91 18.78 74.69 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 123.538 0.524 . . . . 40.539999999999999 113.023 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 m -105.68 155.46 19.23 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.126 0.97 . . . . 45.210000000000001 110.326 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' LEU . 38.1 ttmt -137.36 126.89 25.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.547 -0.908 . . . . 74.319999999999993 108.547 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 HD13 ' A' ' 79' ' ' LEU . 40.2 pt -98.86 143.09 13.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 N-CA-C 108.549 -0.908 . . . . 74.0 108.549 167.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 93' ' ' ILE . 34.9 mm -113.72 136.81 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.944 -1.502 . . . . 61.539999999999999 106.944 169.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 69' ' ' ILE . 49.4 t -111.11 104.71 17.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.344 -1.354 . . . . 73.209999999999994 107.344 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 20' ' ' ALA . 46.6 mt -104.85 125.27 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.201 -0.666 . . . . 71.400000000000006 109.201 -172.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 HG12 HD13 ' A' ' 65' ' ' ILE . 3.0 mp -94.87 93.14 3.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 106.511 -1.663 . . . . 74.329999999999998 106.511 -176.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -86.14 103.76 15.09 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.089 -1.078 . . . . 65.109999999999999 108.089 -175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' LYS . 15.4 p -131.65 123.44 27.81 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.768 -1.105 . . . . 71.019999999999996 108.846 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 77.17 -54.66 0.55 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.802 1.641 . . . . 50.439999999999998 112.836 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -106.88 157.48 17.73 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.994 0.917 . . . . 70.439999999999998 111.214 -173.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.4 m -107.13 -13.42 15.17 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.992 1.317 . . . . 54.149999999999999 112.945 -169.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -60.17 -30.95 69.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.851 -0.531 . . . . 74.109999999999999 111.021 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 16' ' ' LEU . 6.1 mp -61.67 -38.98 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.718 0.807 . . . . 71.010000000000005 110.665 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -69.33 -39.41 78.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.401 1.08 . . . . 73.219999999999999 110.331 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -68.47 -39.03 81.54 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.764 0.826 . . . . 72.019999999999996 111.316 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD22 HD11 ' A' ' 94' ' ' LEU . 96.2 mt -70.6 -38.53 73.99 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.489 0.716 . . . . 74.040000000000006 110.271 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -51.47 -38.15 52.45 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.497 1.119 . . . . 53.530000000000001 112.47 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -62.74 -33.51 75.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.328 1.051 . . . . 72.040000000000006 111.125 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -75.99 -36.3 59.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.335 0.654 . . . . 72.530000000000001 110.838 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 HD21 ' A' ' 97' ' ' LEU . 2.0 mp -63.9 -55.04 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 122.774 0.43 . . . . 64.319999999999993 110.674 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -68.6 -18.87 64.41 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.197 0.443 . . . . 63.439999999999998 112.197 -176.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.93 -24.79 64.63 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.872 0.869 . . . . 73.340000000000003 111.711 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HG ' ' A' ' 28' ' ' LEU . 75.1 mm-40 -69.91 1.28 4.63 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.802 0.841 . . . . 75.340000000000003 112.953 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.48 7.38 55.86 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.212 -0.755 . . . . 54.229999999999997 111.212 -172.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 26' ' ' GLU . 8.9 mt -94.12 175.48 6.69 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.919 0.887 . . . . 74.140000000000001 109.682 -178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -122.73 153.08 39.94 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.984 -0.447 . . . . 74.310000000000002 110.276 161.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 24' ' ' LYS . 94.5 t -115.93 139.75 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.639 1.176 . . . . 65.549999999999997 109.19 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 91.5 m-85 -107.68 112.35 25.0 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 107.315 -1.365 . . . . 63.530000000000001 107.315 171.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 56' ' ' VAL . 29.1 mm -87.23 121.68 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 108.515 -0.92 . . . . 62.520000000000003 108.515 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD13 HG11 ' A' ' 59' ' ' VAL . 35.3 mt -96.18 101.97 13.69 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.575 -0.898 . . . . 75.239999999999995 108.575 171.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.13 121.04 29.04 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.199 -1.364 . . . . 62.210000000000001 108.433 -173.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 65' ' ' ILE . 15.8 ptpt -127.91 119.6 25.9 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.733 0.813 . . . . 64.019999999999996 108.819 176.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 42' ' ' LEU . 7.2 t70 -135.77 166.41 23.34 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 107.574 -1.269 . . . . 70.030000000000001 107.574 176.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -84.22 -9.5 58.47 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.07 0.548 . . . . 74.409999999999997 111.245 176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -129.03 108.02 10.06 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.594 1.158 . . . . 70.319999999999993 109.678 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.1 -27.8 64.02 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.343 1.238 . . . . 74.019999999999996 114.343 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.86 -59.81 4.07 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.723 -0.473 . . . . 71.409999999999997 109.723 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -76.07 -23.74 55.04 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.307 -0.406 . . . . 73.349999999999994 110.959 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 34' ' ' LEU . 6.7 tt -53.91 -56.27 19.3 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.83 0.852 . . . . 71.310000000000002 109.446 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.87 -18.54 53.79 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.947 -1.024 . . . . 74.400000000000006 111.354 -173.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 19.0 mm-40 -62.79 -47.29 84.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.659 -0.867 . . . . 75.209999999999994 108.659 167.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.39 -31.95 72.53 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 123.97 0.794 . . . . 74.120000000000005 111.027 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.553 HG23 ' HB ' ' A' ' 56' ' ' VAL . 35.9 mt -57.56 -48.23 83.54 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 109.919 -0.401 . . . . 60.43 109.919 176.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.431 HE21 HG22 ' A' ' 46' ' ' ILE . 29.7 mm-40 -71.05 -32.24 68.89 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.752 -0.658 . . . . 73.129999999999995 111.474 -178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 10.9 mmpt? -63.73 -53.78 45.66 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.274 0.359 . . . . 75.549999999999997 110.508 177.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 ' HB2' HG21 ' A' ' 56' ' ' VAL . 96.0 mt -62.14 -38.93 90.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.986 0.915 . . . . 64.310000000000002 111.808 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -68.37 -30.74 69.75 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 122.497 -0.127 . . . . 75.310000000000002 111.136 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -70.06 -32.54 70.69 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.863 0.465 . . . . 75.299999999999997 111.091 172.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -72.89 -17.58 61.5 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.0 0.92 . . . . 74.540000000000006 111.015 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.34 66.31 0.76 Allowed Glycine 0 C--N 1.344 0.982 0 N-CA-C 111.247 -0.741 . . . . 63.229999999999997 111.247 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -141.19 167.59 21.82 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.329 1.052 . . . . 73.140000000000001 108.505 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -109.3 121.26 44.78 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.07 -1.826 . . . . 63.530000000000001 106.07 164.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.553 ' HB ' HG23 ' A' ' 46' ' ' ILE . 19.9 t -126.47 143.84 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 N-CA-C 109.91 -0.404 . . . . 74.439999999999998 109.91 -173.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.42 144.56 44.55 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.307 0.643 . . . . 73.420000000000002 109.73 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -79.39 129.0 34.05 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.457 -0.942 . . . . 72.040000000000006 108.457 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.517 HG11 HD13 ' A' ' 33' ' ' LEU . 8.3 m -125.52 157.27 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.612 0.765 . . . . 75.340000000000003 110.374 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -106.49 -73.5 0.68 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.038 -0.983 . . . . 72.120000000000005 110.225 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -100.77 163.51 12.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.897 -0.779 . . . . 74.200000000000003 108.897 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.44 -35.39 70.9 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 122.852 0.461 . . . . 71.340000000000003 110.998 170.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.13 -40.89 62.01 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.076 0.95 . . . . 73.049999999999997 111.45 165.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.42 -36.85 71.46 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.963 0.905 . . . . 61.140000000000001 110.249 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.51 HD11 ' HE3' ' A' ' 35' ' ' LYS . 63.4 mt -61.77 -51.27 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.896 0.878 . . . . 71.340000000000003 111.189 177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.99 -36.08 83.24 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.195 0.598 . . . . 61.450000000000003 110.63 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -30.54 67.95 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.758 -1.11 . . . . 72.120000000000005 110.185 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.438 ' CZ3' HD11 ' A' ' 72' ' ' ILE . 5.7 t90 -65.34 -31.48 72.63 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.923 0.889 . . . . 75.319999999999993 110.657 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -83.23 -34.65 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.082 0.553 . . . . 54.229999999999997 109.623 176.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.698 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 31.5 t70 -57.0 -42.22 79.89 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.792 -0.64 . . . . 71.430000000000007 110.897 176.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -74.37 -27.46 60.67 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.574 -0.727 . . . . 55.340000000000003 111.81 177.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.438 HD11 ' CZ3' ' A' ' 68' ' ' TRP . 75.2 mt -59.94 -40.24 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 CA-C-N 118.451 0.569 . . . . 75.299999999999997 109.722 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 70' ' ' ASP . 50.7 mtmt -64.69 -17.26 63.93 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 111.502 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -92.23 -45.67 8.12 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.499 0.719 . . . . 73.010000000000005 111.464 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 21.2 mm-40 -73.37 -52.5 13.6 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.513 0.725 . . . . 65.400000000000006 111.502 -171.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -140.75 76.83 22.94 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 124.232 1.013 . . . . 64.109999999999999 110.375 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -91.85 15.18 1.68 Allowed 'Trans proline' 0 C--N 1.367 1.551 0 C-N-CA 122.593 2.195 . . . . 74.349999999999994 113.907 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -92.28 12.5 22.24 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.999 0.519 . . . . 72.430000000000007 111.409 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -140.11 155.94 46.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.769 1.228 . . . . 75.200000000000003 109.662 176.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -78.31 145.38 35.38 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.829 0.452 . . . . 74.140000000000001 110.415 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -128.85 122.15 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.337 0.655 . . . . 75.040000000000006 109.766 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -127.26 137.92 52.97 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.787 0.835 . . . . 73.439999999999998 109.108 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -99.01 133.98 42.51 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.549 -0.537 . . . . 74.340000000000003 109.549 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 93' ' ' ILE . 46.2 t -125.29 96.01 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 124.475 1.11 . . . . 71.129999999999995 109.832 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.6 p -85.71 -37.56 19.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.185 0.594 . . . . 74.219999999999999 110.833 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.426 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 4.7 m-20 -97.17 151.8 19.45 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.61 0.764 . . . . 61.329999999999998 110.687 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 20.3 tt0 -59.88 -39.43 85.27 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.912 0.758 . . . . 74.310000000000002 110.642 172.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -54.78 -34.39 62.6 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.663 1.185 . . . . 63.140000000000001 111.64 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 84' ' ' VAL . 82.0 mt-30 -76.74 -30.61 56.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.159 -0.928 . . . . 72.439999999999998 110.33 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -72.76 -25.49 61.2 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.499 0.72 . . . . 32.030000000000001 111.685 173.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 20.5 mtpp -78.99 -34.43 44.13 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.582 0.753 . . . . 70.219999999999999 109.816 172.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -72.48 -39.89 67.36 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.72 0.808 . . . . 73.319999999999993 111.294 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.602 HD13 HG21 ' A' ' 84' ' ' VAL . 20.0 pt -64.47 -28.41 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 112.589 0.588 . . . . 63.25 112.589 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.517 HD11 HD22 ' A' ' 19' ' ' LEU . 81.1 mt -52.64 -33.03 44.95 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.65 0.38 . . . . 74.340000000000003 110.962 171.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.522 ' HB3' ' HE2' ' A' ' 99' ' ' LYS . 41.7 mt-10 -81.95 -52.22 7.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.274 0.63 . . . . 71.340000000000003 110.939 172.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.583 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t70 -41.9 -45.34 3.69 Favored 'General case' 0 N--CA 1.507 2.39 0 C-N-CA 125.657 1.583 . . . . 71.439999999999998 114.177 -178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.522 HD21 HG23 ' A' ' 23' ' ' ILE . 5.6 mp -55.88 -37.46 68.87 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.652 1.181 . . . . 74.239999999999995 111.61 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -86.97 -38.15 16.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.206 -1.361 . . . . 63.009999999999998 110.595 -176.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 95' ' ' GLU . 68.2 mttm -59.46 -57.14 14.28 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.152 0.981 . . . . 72.349999999999994 111.172 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -156.77 136.0 12.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.403 -0.817 . . . . 72.219999999999999 110.41 -172.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -98.11 -37.11 4.47 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.94 -0.573 . . . . 64.25 111.985 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.8 t -168.79 134.89 1.77 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.187 0.995 . . . . 74.319999999999993 110.234 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.9 mt -77.9 -54.2 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.874 0.87 . . . . 71.439999999999998 110.239 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -71.05 -26.1 62.94 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.845 -1.07 . . . . 73.209999999999994 112.179 -170.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -92.27 91.38 7.69 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.031 -1.1 . . . . 70.239999999999995 108.031 175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -80.75 78.13 7.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.764 0.826 . . . . 73.340000000000003 111.315 -171.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -163.38 119.83 1.78 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 106.924 -1.509 . . . . 64.530000000000001 106.924 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -108.41 -44.73 4.04 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.236 -0.653 . . . . 70.430000000000007 109.236 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -86.38 120.09 27.35 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.804 -1.184 . . . . 75.150000000000006 107.804 168.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 CA--C 1.564 1.509 0 C-N-CA 124.772 1.229 . . . . 74.239999999999995 109.674 -171.491 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 109.335 -0.617 . . . . 72.329999999999998 109.335 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.611 ' HA3' ' HE3' ' A' ' 100' ' ' LYS . . . 64.91 56.57 15.62 Favored Glycine 0 C--N 1.352 1.45 0 O-C-N 123.587 0.554 . . . . 61.020000000000003 113.703 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' A' ' 80' ' ' GLU . 22.2 p -69.54 131.6 44.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.124 0.57 . . . . 74.150000000000006 110.486 176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -165.38 152.29 10.38 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.377 0.671 . . . . 75.450000000000003 110.375 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.558 HG23 HD22 ' A' ' 79' ' ' LEU . 39.0 pt -136.52 156.95 36.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 125.066 1.346 . . . . 74.129999999999995 107.574 167.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG21 HD12 ' A' ' 93' ' ' ILE . 50.0 mm -120.6 137.36 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.039 -0.726 . . . . 74.25 109.039 176.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 69' ' ' ILE . 60.2 t -115.95 114.8 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.143 -1.058 . . . . 61.030000000000001 108.143 176.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.581 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 37.6 mt -110.57 120.24 61.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.47 0.708 . . . . 72.450000000000003 110.869 -171.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.06 95.81 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 106.761 -1.57 . . . . 74.150000000000006 106.761 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.414 ' HB3' HD22 ' A' ' 34' ' ' LEU . 45.4 t -89.71 107.6 19.19 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.356 0.662 . . . . 64.420000000000002 110.824 -171.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 p -140.71 150.82 43.94 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.445 1.098 . . . . 74.329999999999998 109.428 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 67.62 -76.3 0.05 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.784 1.633 . . . . 73.349999999999994 111.839 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -83.76 132.03 34.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.033 0.533 . . . . 43.409999999999997 110.717 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -76.94 -11.53 59.82 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.93 -0.577 . . . . 70.099999999999994 109.896 169.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 m -52.12 -35.09 47.09 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.697 1.199 . . . . 65.0 112.371 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.01 -35.79 80.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.017 0.527 . . . . 73.150000000000006 110.68 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB3' HD21 ' A' ' 49' ' ' LEU . 40.5 mt-10 -68.6 -39.71 80.75 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.909 0.884 . . . . 54.210000000000001 110.028 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.14 -50.74 37.49 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.409 -0.814 . . . . 64.230000000000004 110.955 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -56.61 -39.74 74.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.336 1.054 . . . . 72.439999999999998 110.861 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.6 -32.87 8.81 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.292 1.437 . . . . 73.010000000000005 113.202 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -63.49 -49.54 73.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.091 0.956 . . . . 74.230000000000004 111.0 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 22' ' ' LYS . 70.0 mmtt -70.21 -25.87 63.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.27 0.47 . . . . 63.509999999999998 112.27 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 97' ' ' LEU . 2.1 mp -62.5 -61.92 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.212 -0.662 . . . . 75.120000000000005 109.212 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.632 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.4 ptpt -65.73 -19.54 65.94 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.134 0.79 . . . . 65.140000000000001 113.134 -173.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.33 -25.87 50.45 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.372 1.069 . . . . 72.049999999999997 111.653 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -68.96 -18.69 64.11 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.287 0.635 . . . . 72.109999999999999 112.181 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.23 -16.1 6.78 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 122.928 0.299 . . . . 71.510000000000005 113.288 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.5 pt? -82.41 166.47 19.37 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.713 0.805 . . . . 74.209999999999994 111.237 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -97.73 148.89 22.89 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.975 0.91 . . . . 74.0 110.192 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 24' ' ' LYS . 86.0 t -121.16 132.04 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 124.055 0.942 . . . . 73.239999999999995 110.097 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -104.67 129.45 52.84 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 106.772 -1.566 . . . . 72.299999999999997 106.772 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' HB ' HG22 ' A' ' 56' ' ' VAL . 30.0 mm -108.8 116.62 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 118.765 0.711 . . . . 74.230000000000004 109.503 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD13 HG11 ' A' ' 59' ' ' VAL . 39.0 mt -89.08 105.49 17.82 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.035 -0.728 . . . . 75.349999999999994 109.035 172.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -90.79 126.58 36.06 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.802 -1.09 . . . . 75.310000000000002 108.923 -174.333 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -131.56 120.13 22.47 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.75 0.82 . . . . 75.409999999999997 109.253 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.563 ' H ' HD12 ' A' ' 42' ' ' LEU . 16.3 t70 -134.28 157.38 46.47 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.226 -1.027 . . . . 74.420000000000002 108.226 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -82.81 -4.99 58.74 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.692 0.397 . . . . 64.120000000000005 111.607 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.07 109.56 12.53 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 107.421 -1.326 . . . . 54.329999999999998 107.421 169.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.53 -26.51 21.41 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.834 1.254 . . . . 74.409999999999997 114.283 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -41.38 34.24 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.703 0.401 . . . . 65.219999999999999 109.973 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -68.75 -32.47 72.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 109.221 -0.659 . . . . 71.209999999999994 109.221 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 36' ' ' ASP . 5.7 tt -60.08 -51.53 69.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.584 1.154 . . . . 73.030000000000001 109.329 168.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.79 -42.55 99.15 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.226 1.011 . . . . 72.510000000000005 111.96 -170.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 9.3 pt-20 -72.8 -38.76 67.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.884 -0.598 . . . . 63.310000000000002 110.0 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -56.53 -40.11 74.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.011 0.924 . . . . 70.439999999999998 110.817 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.515 HG23 ' HB ' ' A' ' 56' ' ' VAL . 78.4 mt -51.49 -52.35 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.219 0.95 . . . . 73.0 109.661 172.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -68.87 -27.01 65.42 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.631 0.772 . . . . 72.040000000000006 112.104 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 31.5 mmtp -66.12 -49.86 66.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.196 -0.668 . . . . 73.109999999999999 109.196 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB2' HG21 ' A' ' 56' ' ' VAL . 82.5 mt -70.25 -37.72 74.98 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.578 -1.192 . . . . 30.420000000000002 111.697 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 46.9 mtpt -71.02 -28.68 64.58 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.531 0.333 . . . . 74.209999999999994 111.158 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -63.55 -37.36 87.02 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.88 0.472 . . . . 71.230000000000004 110.724 171.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -76.29 -23.14 54.37 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.705 -0.68 . . . . 62.450000000000003 110.876 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 84.36 1.79 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.93 -0.868 . . . . 63.009999999999998 110.93 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 69.3 m-85 -150.44 139.56 21.13 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 125.054 1.342 . . . . 71.209999999999994 107.501 172.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -81.61 74.74 8.59 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.835 0.826 . . . . 73.099999999999994 110.636 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.0 t -87.54 130.76 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.221 -0.9 . . . . 63.420000000000002 110.472 -174.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 39.8 mmt180 -126.24 151.92 46.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.489 1.116 . . . . 63.130000000000003 109.825 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.41 126.0 36.35 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.66 0.784 . . . . 75.219999999999999 109.485 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG11 HD13 ' A' ' 33' ' ' LEU . 12.0 m -116.63 177.82 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.826 0.85 . . . . 64.040000000000006 109.817 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -90.32 -69.47 0.72 Allowed 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.152 0.981 . . . . 65.310000000000002 109.102 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -166.94 -169.83 1.4 Allowed 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 108.919 -0.771 . . . . 71.310000000000002 108.919 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.56 -23.98 59.71 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 113.339 0.866 . . . . 72.319999999999993 113.339 -166.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.08 -60.4 3.48 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.421 1.076 . . . . 63.140000000000001 110.975 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -24.83 58.6 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.788 -0.449 . . . . 73.299999999999997 109.788 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.76 -50.14 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.182 0.993 . . . . 64.450000000000003 110.964 173.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -60.97 -32.16 71.72 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 122.746 0.418 . . . . 72.430000000000007 111.281 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -81.43 -24.29 36.97 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.893 0.477 . . . . 53.219999999999999 110.966 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.43 ' CZ3' HG13 ' A' ' 72' ' ' ILE . 60.9 t90 -68.09 -42.28 80.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.14 -0.689 . . . . 65.0 109.14 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.508 HG12 ' HG2' ' A' ' 83' ' ' LYS . 2.2 mp -73.85 -34.4 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 116.114 -0.493 . . . . 73.209999999999994 110.174 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -54.54 -45.62 73.45 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.267 0.627 . . . . 64.109999999999999 111.114 175.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 5.1 ptpp? -78.34 -33.44 49.13 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.997 -0.525 . . . . 43.240000000000002 111.739 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG13 ' CZ3' ' A' ' 68' ' ' TRP . 14.8 mm -63.48 -38.59 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-N 118.49 0.586 . . . . 42.450000000000003 111.245 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -68.97 -28.26 66.46 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.451 0.469 . . . . 61.240000000000002 110.737 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -82.1 -30.25 31.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.972 0.909 . . . . 72.450000000000003 111.296 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 9.2 mm-40 -87.92 -40.46 13.93 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.48 0.657 . . . . 64.329999999999998 109.788 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -125.24 78.08 67.39 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.574 1.15 . . . . 74.230000000000004 108.656 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -89.08 1.37 6.04 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.192 2.594 . . . . 74.219999999999999 115.012 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -89.71 13.05 15.23 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 113.111 0.782 . . . . 75.099999999999994 113.111 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.558 HD22 HG23 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -149.65 164.72 34.4 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.521 0.728 . . . . 55.240000000000002 111.322 -175.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 3' ' ' SER . 6.0 mm-40 -77.23 152.17 34.83 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.934 -0.765 . . . . 52.329999999999998 108.934 174.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.84 123.21 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 108.479 -0.934 . . . . 62.310000000000002 108.479 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -118.5 132.18 56.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.98 0.912 . . . . 65.439999999999998 109.718 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.9 mtmm -91.72 119.91 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 108.993 -0.743 . . . . 74.219999999999999 108.993 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 55.6 t -106.16 88.26 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.466 -0.938 . . . . 64.140000000000001 108.466 178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -88.99 -18.94 26.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.617 -0.719 . . . . 64.400000000000006 110.535 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.19 152.08 35.55 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.518 1.127 . . . . 72.219999999999999 110.144 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.43 -34.81 72.96 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.859 0.864 . . . . 73.140000000000001 110.79 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.53 -40.76 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.719 1.208 . . . . 75.450000000000003 111.71 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' HG13 ' A' ' 84' ' ' VAL . 15.1 mm100 -63.45 -41.79 98.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.572 0.545 . . . . 72.329999999999998 109.862 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.57 68.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.794 0.838 . . . . 63.350000000000001 112.441 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -84.58 -35.74 22.57 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.285 0.634 . . . . 73.129999999999995 111.927 175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -70.4 -42.27 71.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.433 0.293 . . . . 64.439999999999998 111.128 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 18.6 pt -56.66 -29.14 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 112.945 0.72 . . . . 73.420000000000002 112.945 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 70.4 mt -48.15 -51.37 25.21 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 123.33 0.394 . . . . 72.120000000000005 110.337 170.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.15 -34.01 63.71 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.686 0.794 . . . . 64.439999999999998 111.117 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.559 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 32.6 t70 -61.98 -31.45 71.81 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.195 0.998 . . . . 74.120000000000005 110.377 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 23' ' ' ILE . 10.3 mp -78.74 -34.19 45.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.961 0.904 . . . . 70.219999999999999 111.323 175.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 1.6 mmmp? -73.37 -34.26 65.48 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 120.594 0.235 . . . . 74.129999999999995 111.434 -174.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -70.14 0.25 6.54 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 113.647 0.98 . . . . 74.400000000000006 113.647 -176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HE3' ' HA3' ' A' ' 2' ' ' GLY . 21.3 ptmt -71.63 -27.57 63.18 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.602 0.361 . . . . 63.210000000000001 110.74 175.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.05 87.38 0.48 Allowed Glycine 0 C--N 1.355 1.627 0 O-C-N 123.526 0.516 . . . . 61.32 112.429 -177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.5 t -136.03 163.57 30.01 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.68 0.792 . . . . 75.439999999999998 110.437 -177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.34 -60.13 2.44 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.382 -0.969 . . . . 74.329999999999998 108.382 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -84.13 130.0 34.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 122.876 0.471 . . . . 45.520000000000003 111.218 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -142.98 90.44 2.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.819 1.248 . . . . 63.420000000000002 108.967 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -65.28 107.67 1.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.637 0.775 . . . . 75.420000000000002 110.175 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -77.23 89.28 3.69 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.824 0.849 . . . . 74.200000000000003 109.884 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -75.89 89.29 2.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.99 -1.005 . . . . 50.229999999999997 109.436 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -127.43 150.95 49.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.374 0.669 . . . . 64.049999999999997 109.701 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 108.028 -1.101 . . . . 74.549999999999997 108.028 172.013 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.138 -0.319 . . . . 65.519999999999996 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.59 36.79 36.91 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.648 -0.981 . . . . 71.120000000000005 110.648 -169.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -78.14 130.14 36.01 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.936 0.894 . . . . 73.030000000000001 109.704 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 18.1 ptpt -88.14 174.12 8.42 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.507 -0.553 . . . . 73.120000000000005 109.507 178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.525 HG23 HD22 ' A' ' 79' ' ' LEU . 31.7 pt -125.48 145.37 32.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.739 0.78 . . . . 73.349999999999994 109.127 170.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.435 HG13 HG21 ' A' ' 23' ' ' ILE . 44.5 mm -114.5 140.09 37.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.414 -1.328 . . . . 74.120000000000005 107.414 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 69' ' ' ILE . 62.0 t -121.34 115.04 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.288 -1.004 . . . . 74.319999999999993 108.288 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.0 mt -106.96 129.65 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.044 -0.724 . . . . 74.049999999999997 109.044 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 2.8 mp -95.27 95.3 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 N-CA-C 106.287 -1.746 . . . . 73.239999999999995 106.287 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -105.26 136.26 45.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.929 0.491 . . . . 55.240000000000002 110.943 -171.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -139.23 94.0 2.75 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.089 -0.96 . . . . 71.349999999999994 110.47 171.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t70 77.41 -51.01 0.54 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.702 1.601 . . . . 63.43 113.843 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HB2' HD13 ' A' ' 16' ' ' LEU . 21.9 m-20 -53.35 115.9 2.15 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.338 1.055 . . . . 62.350000000000001 112.384 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 t -74.64 -17.66 60.66 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.724 0.809 . . . . 51.310000000000002 112.958 -171.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -59.56 -38.73 81.89 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.695 0.798 . . . . 72.129999999999995 111.665 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 13' ' ' ASP . 6.3 mp -76.54 -24.06 53.62 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.458 0.303 . . . . 71.409999999999997 110.358 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.66 -47.75 44.89 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.991 0.917 . . . . 65.319999999999993 110.788 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -71.47 -39.09 71.14 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.061 -0.518 . . . . 52.039999999999999 110.987 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.54 -35.0 79.55 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.437 0.461 . . . . 73.329999999999998 110.688 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.76 68.47 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.473 0.709 . . . . 75.040000000000006 111.621 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -70.95 -33.61 70.65 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.453 -0.794 . . . . 71.409999999999997 110.958 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -73.03 -38.16 66.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.565 0.746 . . . . 52.039999999999999 111.338 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.435 HG21 HG13 ' A' ' 6' ' ' ILE . 2.0 mp -67.91 -41.38 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 122.696 0.399 . . . . 71.409999999999997 110.546 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.6 ptpt -73.73 -19.96 60.65 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 121.724 -0.61 . . . . 63.399999999999999 112.185 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.14 -20.19 65.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 74.010000000000005 111.224 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG3' HD23 ' A' ' 97' ' ' LEU . 20.3 mm-40 -69.14 -15.65 63.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.528 0.731 . . . . 73.310000000000002 111.223 174.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.06 20.64 10.99 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 116.626 -0.261 . . . . 73.450000000000003 113.056 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 97' ' ' LEU . 4.1 pp -125.89 170.1 11.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.397 0.679 . . . . 63.119999999999997 109.926 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -94.35 147.98 22.68 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.128 0.418 . . . . 75.030000000000001 112.128 -173.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 24' ' ' LYS . 40.7 t -125.53 133.47 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.892 0.877 . . . . 73.400000000000006 109.909 177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' HB2' HG22 ' A' ' 7' ' ' VAL . 76.2 m-85 -111.71 133.97 53.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 107.273 -1.38 . . . . 75.299999999999997 107.273 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 56' ' ' VAL . 24.5 mm -114.21 123.91 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 109.118 -0.697 . . . . 74.450000000000003 109.118 -176.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD12 HG23 ' A' ' 65' ' ' ILE . 47.8 mt -104.73 112.66 25.84 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.978 -0.749 . . . . 61.200000000000003 108.978 176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -97.6 128.18 44.12 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 124.191 0.996 . . . . 64.540000000000006 109.711 -175.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 59' ' ' VAL . 14.5 ptmm? -140.27 120.69 14.05 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.57 0.748 . . . . 64.219999999999999 109.026 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t70 -132.89 171.36 14.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.383 -0.969 . . . . 72.540000000000006 108.383 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -74.02 -30.99 62.73 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.263 0.625 . . . . 53.130000000000003 111.414 176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -118.62 106.48 12.66 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.672 -0.862 . . . . 72.219999999999999 108.672 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 42' ' ' LEU . 12.8 pt-20 -58.1 -18.63 26.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 115.071 1.508 . . . . 72.239999999999995 115.071 -175.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -74.75 -57.08 4.14 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.773 0.715 . . . . 71.040000000000006 110.782 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -66.46 -28.58 68.7 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.771 0.428 . . . . 72.340000000000003 110.063 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 34' ' ' LEU . 26.9 tp -55.94 -57.58 11.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.112 1.365 . . . . 75.010000000000005 111.611 170.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HG2' HD12 ' A' ' 46' ' ' ILE . 47.7 mt-10 -80.47 -13.78 58.83 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.06 -0.518 . . . . 71.340000000000003 112.019 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 24.6 mm-40 -69.47 -45.47 68.94 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.224 -0.658 . . . . 64.120000000000005 109.224 167.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.11 -36.37 77.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.878 0.871 . . . . 75.219999999999999 110.354 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.547 HD12 ' HG2' ' A' ' 43' ' ' GLU . 46.5 mt -61.19 -43.76 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.562 0.745 . . . . 71.310000000000002 110.439 175.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 25.1 mm-40 -67.57 -35.86 79.81 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 123.176 0.297 . . . . 64.549999999999997 110.97 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 41.7 mmtm -65.3 -42.99 92.52 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.925 0.49 . . . . 71.420000000000002 110.044 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.0 -38.14 69.69 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 114.876 -1.056 . . . . 63.409999999999997 112.085 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -67.64 -33.82 75.72 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.144 -0.347 . . . . 72.540000000000006 110.448 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -67.41 -33.41 75.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.118 0.567 . . . . 73.209999999999994 111.671 171.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -71.79 -10.62 60.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.244 0.617 . . . . 44.329999999999998 111.082 171.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.26 65.0 1.22 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 111.725 -0.55 . . . . 51.329999999999998 111.725 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -141.69 138.25 32.31 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.725 -0.843 . . . . 62.210000000000001 108.725 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.73 97.51 5.19 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.915 -1.143 . . . . 62.009999999999998 107.915 168.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HB ' HG23 ' A' ' 46' ' ' ILE . 14.3 t -107.47 136.18 43.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 115.221 -0.9 . . . . 74.140000000000001 108.958 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -128.72 144.64 51.21 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.945 0.898 . . . . 71.099999999999994 108.601 -176.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -86.26 129.81 34.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.421 -1.325 . . . . 74.219999999999999 107.421 174.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 35' ' ' LYS . 10.0 m -119.62 157.67 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.421 0.688 . . . . 74.239999999999995 109.834 -178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -78.99 -45.63 19.85 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.943 -1.026 . . . . 71.349999999999994 110.399 -173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.5 176.23 9.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.598 -1.183 . . . . 74.310000000000002 108.796 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.9 -24.42 60.84 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.114 0.415 . . . . 71.239999999999995 110.208 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -50.16 -52.5 34.83 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.523 1.129 . . . . 53.009999999999998 110.401 163.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.12 -34.24 77.62 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.799 -1.091 . . . . 63.32 110.515 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 33' ' ' LEU . 69.1 mt -64.54 -49.34 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.229 1.012 . . . . 73.209999999999994 112.506 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.91 -34.18 76.89 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 121.13 0.49 . . . . 71.5 111.427 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -77.35 -29.53 53.43 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.295 -0.866 . . . . 62.210000000000001 110.914 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' HG12 ' A' ' 72' ' ' ILE . 35.9 t90 -64.7 -45.01 88.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.046 0.938 . . . . 75.510000000000005 108.919 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -72.54 -32.39 41.4 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.489 0.716 . . . . 72.049999999999997 110.094 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.71 -50.71 67.66 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.772 0.829 . . . . 73.430000000000007 110.629 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -74.35 -28.8 61.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.837 -0.619 . . . . 63.420000000000002 111.519 -176.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 68' ' ' TRP . 38.0 mm -64.91 -41.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 122.582 0.353 . . . . 55.25 110.482 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -67.36 -31.1 71.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.307 0.643 . . . . 65.340000000000003 111.017 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -74.45 -41.49 60.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.047 0.939 . . . . 72.420000000000002 110.469 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 10.7 mm-40 -70.92 -42.67 69.58 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.393 0.677 . . . . 54.130000000000003 110.18 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.34 88.51 43.92 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.148 0.979 . . . . 73.319999999999993 109.858 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -86.06 -2.83 8.81 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 122.846 2.364 . . . . 74.120000000000005 113.241 173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -72.73 -0.02 12.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 112.51 0.559 . . . . 70.400000000000006 112.51 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.525 HD22 HG23 ' A' ' 5' ' ' ILE . 1.2 pp -142.16 165.64 26.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.205 1.002 . . . . 61.130000000000003 110.79 -175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.68 143.55 27.11 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 108.436 -0.95 . . . . 71.129999999999995 108.436 168.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.58 111.74 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 108.423 -0.954 . . . . 72.219999999999999 108.423 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -110.65 114.27 27.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.982 0.913 . . . . 74.310000000000002 109.815 -170.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HG2' HG12 ' A' ' 69' ' ' ILE . 31.0 mtmm -76.79 120.55 22.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.27 -0.641 . . . . 75.120000000000005 109.27 172.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 93' ' ' ILE . 63.1 t -113.9 90.93 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.711 1.204 . . . . 74.129999999999995 108.809 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.42 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 45.2 p -84.73 -37.5 20.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.004 -0.544 . . . . 73.510000000000005 110.435 -177.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.569 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . 5.1 m-20 -98.18 146.97 25.07 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.692 0.797 . . . . 50.130000000000003 110.378 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -36.46 70.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.9 1.28 . . . . 73.150000000000006 110.703 168.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 4.2 m-20 -52.35 -44.54 65.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.111 -0.949 . . . . 61.149999999999999 110.961 174.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.569 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 72.8 mt-30 -65.53 -36.2 83.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.609 0.764 . . . . 73.209999999999994 111.111 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.94 -29.92 71.05 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.784 0.677 . . . . 71.420000000000002 111.367 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' A' ' 94' ' ' LEU . 96.3 mttt -82.55 -32.44 28.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.927 -0.579 . . . . 55.549999999999997 112.189 173.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 17.7 mm100 -68.0 -43.68 78.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.928 0.331 . . . . 54.200000000000003 110.889 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 97' ' ' LEU . 16.5 pt -65.13 -28.33 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 112.544 0.572 . . . . 52.409999999999997 112.544 177.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 91' ' ' LYS . 87.4 mt -53.82 -43.96 69.83 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.794 -0.447 . . . . 73.019999999999996 109.794 169.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 99' ' ' LYS . 14.2 mm-40 -79.05 -26.96 43.09 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.996 0.918 . . . . 75.439999999999998 111.561 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.47 -42.8 95.69 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.56 0.744 . . . . 73.450000000000003 109.975 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD21 HD21 ' A' ' 28' ' ' LEU . 6.7 mp -70.21 -25.05 63.23 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 114.387 -1.279 . . . . 64.420000000000002 110.708 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 94' ' ' LEU . 45.1 mmtm -80.8 -36.67 31.4 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.192 0.597 . . . . 73.409999999999997 110.719 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 65.7 mttm -64.89 -46.74 80.48 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.342 0.657 . . . . 51.229999999999997 109.964 174.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? 59.36 100.14 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.1 1.36 . . . . 72.319999999999993 111.377 174.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.96 164.8 50.43 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 115.866 -0.607 . . . . 61.210000000000001 112.824 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.7 m -63.03 126.83 28.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.46 0.704 . . . . 55.439999999999998 111.008 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 103' ' ' LEU . 2.6 pt? -109.2 10.89 25.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.126 0.571 . . . . 61.009999999999998 110.171 175.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -76.93 133.23 39.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.147 0.579 . . . . 64.329999999999998 110.041 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -119.21 144.4 46.74 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.511 -0.922 . . . . 73.409999999999997 108.511 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -91.92 35.55 0.98 Allowed 'General case' 0 N--CA 1.484 1.23 0 CA-C-O 121.761 0.791 . . . . 74.200000000000003 109.696 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -134.3 107.05 7.42 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 125.486 1.514 . . . . 74.340000000000003 107.001 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -66.79 141.63 57.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 123.486 0.491 . . . . 65.430000000000007 112.144 -171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -132.6 138.15 47.3 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.524 1.13 . . . . 73.510000000000005 109.379 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.1 m170 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 108.535 -0.913 . . . . 75.030000000000001 108.535 173.068 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.352 -0.61 . . . . 61.119999999999997 109.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.0 85.36 0.1 OUTLIER Glycine 0 C--N 1.349 1.301 0 N-CA-C 111.752 -0.539 . . . . 61.240000000000002 111.752 171.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -136.83 99.77 4.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.6 1.16 . . . . 64.209999999999994 109.937 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 28' ' ' LEU . 15.1 ptpt -145.38 136.22 24.55 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.968 -1.123 . . . . 74.049999999999997 107.968 163.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 HG23 HD22 ' A' ' 79' ' ' LEU . 38.9 pt -105.5 142.91 17.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 N-CA-C 109.326 -0.62 . . . . 73.310000000000002 109.326 175.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.51 ' HB ' HG22 ' A' ' 30' ' ' VAL . 45.2 mm -116.0 116.37 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 108.067 -1.086 . . . . 63.119999999999997 108.067 173.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG11 HD11 ' A' ' 69' ' ' ILE . 41.4 t -102.06 109.84 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.472 -0.936 . . . . 73.319999999999993 108.472 -176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.615 ' HA ' ' HB ' ' A' ' 84' ' ' VAL . 18.6 mt -102.66 119.99 51.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.451 0.7 . . . . 73.349999999999994 111.164 -172.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG13 HD13 ' A' ' 65' ' ' ILE . 2.7 mp -87.53 89.72 3.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 N-CA-C 106.265 -1.754 . . . . 54.350000000000001 106.265 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.49 ' HB3' HD22 ' A' ' 34' ' ' LEU . 39.8 t -88.78 102.8 15.37 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.536 -0.542 . . . . 62.100000000000001 109.536 -174.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -94.89 73.53 3.53 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.234 -0.894 . . . . 75.340000000000003 109.687 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 74.89 -33.9 0.25 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 125.304 1.442 . . . . 71.209999999999994 114.14 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 16' ' ' LEU . 14.8 t70 -75.87 136.19 40.16 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.151 0.58 . . . . 54.049999999999997 111.799 -166.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m -84.08 -20.56 32.4 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.187 0.81 . . . . 74.540000000000006 113.187 -168.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -59.21 -34.73 72.52 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 122.158 -0.339 . . . . 64.239999999999995 111.024 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 13' ' ' ASP . 6.0 mp -70.85 -27.99 64.25 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.169 0.588 . . . . 73.510000000000005 110.71 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.44 -44.97 33.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.328 1.051 . . . . 63.450000000000003 111.325 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.9 -34.18 62.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.025 -0.534 . . . . 75.219999999999999 111.175 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.86 -37.58 84.73 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.998 0.519 . . . . 43.520000000000003 109.917 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 8' ' ' ILE . . . -54.99 -39.27 68.85 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.422 0.689 . . . . 72.219999999999999 111.699 174.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -67.97 -38.48 82.78 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.339 -0.846 . . . . 75.209999999999994 111.185 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.14 -47.02 86.82 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 123.685 0.615 . . . . 62.340000000000003 109.834 178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 HG21 HG13 ' A' ' 6' ' ' ILE . 1.9 mp -68.94 -54.05 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 114.824 -1.08 . . . . 73.219999999999999 111.673 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HB3' HG23 ' A' ' 30' ' ' VAL . 12.3 ptpt -70.71 -21.89 62.51 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.983 0.735 . . . . 75.0 112.983 -172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.48 -26.7 65.47 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 123.748 0.655 . . . . 62.32 111.261 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.11 -12.72 61.33 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.68 0.792 . . . . 72.5 112.478 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.24 -0.69 11.54 Favored Glycine 0 N--CA 1.474 1.192 0 N-CA-C 114.375 0.51 . . . . 53.520000000000003 114.375 171.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -100.41 158.51 15.84 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 117.618 0.709 . . . . 75.319999999999993 110.306 179.2 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -84.79 143.02 29.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.885 0.474 . . . . 42.310000000000002 111.49 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' A' ' 6' ' ' ILE . 53.5 t -122.44 127.47 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 64.0 109.455 171.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -104.06 113.13 26.45 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.649 -0.871 . . . . 72.129999999999995 108.649 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.447 ' HB ' HG22 ' A' ' 56' ' ' VAL . 35.0 mm -89.55 107.92 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 109.239 -0.652 . . . . 73.230000000000004 109.239 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 HG12 ' A' ' 65' ' ' ILE . 48.5 mt -89.61 104.15 16.73 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.461 -0.94 . . . . 55.350000000000001 108.461 172.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -85.69 124.39 32.16 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.84 -0.8 . . . . 62.0 108.84 -174.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.56 123.43 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.704 -0.85 . . . . 73.109999999999999 108.704 168.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -132.41 166.81 21.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.736 0.815 . . . . 64.510000000000005 109.056 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -74.62 -43.72 54.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.866 0.466 . . . . 73.239999999999995 110.862 177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.03 152.2 20.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.68 -0.489 . . . . 65.230000000000004 109.68 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HG3' ' HG2' ' A' ' 40' ' ' LYS . 10.3 pt-20 -75.63 -45.94 34.45 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.828 0.851 . . . . 65.329999999999998 110.875 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG2' ' HG3' ' A' ' 39' ' ' GLU . 32.4 mmtp -83.19 -36.14 24.91 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.029 0.532 . . . . 70.230000000000004 110.49 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -69.88 -30.44 67.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.901 0.48 . . . . 74.129999999999995 110.482 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 34' ' ' LEU . 57.9 tp -56.39 -55.66 30.78 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.88 0.872 . . . . 50.109999999999999 110.728 167.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 47' ' ' GLN . 7.8 tp10 -63.64 -42.32 98.14 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 124.114 0.884 . . . . 73.439999999999998 112.402 -172.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.74 -34.02 76.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.019 0.528 . . . . 63.420000000000002 111.114 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -65.06 -39.12 92.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.506 0.723 . . . . 70.299999999999997 110.21 175.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.476 ' HA ' HG11 ' A' ' 56' ' ' VAL . 93.3 mt -61.49 -45.72 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.112 0.965 . . . . 74.120000000000005 110.165 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 27.4 mm-40 -61.17 -45.47 94.49 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.277 0.631 . . . . 72.129999999999995 110.98 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 7.5 mmpt? -64.28 -47.64 78.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.361 -0.836 . . . . 72.150000000000006 111.667 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.556 ' HB2' HG21 ' A' ' 56' ' ' VAL . 87.5 mt -70.06 -34.98 73.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 122.859 0.464 . . . . 55.210000000000001 111.151 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -65.4 -37.66 87.63 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.019 0.372 . . . . 52.229999999999997 110.819 173.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -62.04 -33.44 74.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.606 0.762 . . . . 71.420000000000002 111.584 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 20.3 mt-30 -75.4 -9.76 58.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 122.929 0.492 . . . . 73.25 111.349 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.84 21.27 11.33 Favored Glycine 0 C--N 1.348 1.228 0 C-N-CA 123.315 0.483 . . . . 64.299999999999997 113.162 173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.36 142.22 28.75 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.456 0.703 . . . . 74.129999999999995 110.576 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.91 89.05 6.34 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.273 -1.01 . . . . 64.319999999999993 108.273 171.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.556 HG21 ' HB2' ' A' ' 49' ' ' LEU . 11.9 t -98.55 126.13 51.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 115.289 -0.869 . . . . 75.129999999999995 109.58 -175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' HG3' ' HZ2' ' A' ' 68' ' ' TRP . 28.3 mmm180 -120.4 145.03 47.58 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.244 1.017 . . . . 61.240000000000002 109.083 -175.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -91.63 120.34 32.32 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.501 -0.926 . . . . 73.329999999999998 108.501 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 65' ' ' ILE . 9.5 m -118.64 146.04 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.17 0.988 . . . . 75.450000000000003 109.148 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.46 -41.0 80.85 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.949 0.5 . . . . 71.430000000000007 111.114 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -171.33 173.0 5.01 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.402 0.681 . . . . 45.219999999999999 110.328 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.1 p-10 -73.35 -23.76 60.25 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.764 0.826 . . . . 73.200000000000003 111.692 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.37 -39.12 75.37 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.605 0.362 . . . . 75.299999999999997 111.172 168.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.6 -36.14 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.405 0.682 . . . . 72.219999999999999 111.089 176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 9' ' ' ILE . 67.6 mt -55.86 -34.33 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 115.23 -0.895 . . . . 72.209999999999994 111.587 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.74 -42.86 79.99 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.965 0.506 . . . . 74.530000000000001 111.87 171.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -27.32 55.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.805 0.842 . . . . 71.209999999999994 110.269 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' HZ2' ' HG3' ' A' ' 57' ' ' ARG . 30.4 t90 -72.36 -32.82 66.78 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.466 0.706 . . . . 63.329999999999998 110.186 -178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.554 HD11 HG11 ' A' ' 7' ' ' VAL . 1.8 mp -81.49 -38.45 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 109.685 -0.487 . . . . 73.329999999999998 109.685 172.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.589 ' HA ' ' HD3' ' A' ' 73' ' ' LYS . 26.2 t70 -56.06 -39.52 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.807 0.843 . . . . 73.25 111.82 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -64.55 -39.91 94.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.936 -0.574 . . . . 70.430000000000007 111.681 177.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -75.59 -30.51 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 122.651 0.38 . . . . 74.239999999999995 110.528 -176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 70' ' ' ASP . 56.6 mtpt -60.1 -34.58 73.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.462 0.649 . . . . 74.549999999999997 110.0 170.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 25.8 ttmt -82.67 -37.19 25.19 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.065 1.346 . . . . 74.5 111.245 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 71' ' ' LYS . 32.9 mm-40 -78.44 -52.16 8.97 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.048 0.539 . . . . 74.519999999999996 110.401 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -126.73 90.03 50.68 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.245 1.018 . . . . 65.319999999999993 109.146 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.13 6.98 5.48 Favored 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.58 2.187 . . . . 61.32 112.941 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.78 11.77 36.1 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.134 0.974 . . . . 73.409999999999997 112.474 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.444 HD22 HG23 ' A' ' 5' ' ' ILE . 1.4 pp -130.77 154.3 48.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.253 0.621 . . . . 72.209999999999994 110.959 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 35.4 mm-40 -80.11 140.01 36.62 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.198 -0.667 . . . . 72.230000000000004 109.198 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 69' ' ' ILE . 13.9 t -127.18 116.02 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.722 -0.844 . . . . 73.239999999999995 108.722 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 93' ' ' ILE . 25.0 tpp180 -115.18 125.1 53.01 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.92 -0.77 . . . . 75.420000000000002 108.92 175.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.7 122.51 34.32 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.812 -0.81 . . . . 72.230000000000004 108.812 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.615 ' HB ' ' HA ' ' A' ' 8' ' ' ILE . 56.1 t -96.96 88.69 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 107.769 -1.197 . . . . 75.030000000000001 107.769 175.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.0 p -78.55 -27.26 45.86 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.452 -0.795 . . . . 62.43 110.142 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.13 160.18 39.16 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.968 0.907 . . . . 55.43 109.759 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.27 -39.14 66.61 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.401 1.08 . . . . 75.209999999999994 112.576 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 21.9 t70 -56.18 -38.22 70.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.045 0.938 . . . . 73.329999999999998 111.555 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -68.73 -33.23 73.57 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.251 0.62 . . . . 64.439999999999998 111.211 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.508 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -69.04 -22.64 64.03 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.520000000000003 111.774 173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -84.74 -27.7 26.77 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.603 0.761 . . . . 70.420000000000002 111.291 171.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 88' ' ' ASP . 29.4 mm-40 -74.57 -37.96 62.81 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.815 0.446 . . . . 74.540000000000006 111.803 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HA ' ' HB2' ' A' ' 96' ' ' ASP . 24.3 pt -60.31 -27.42 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.452 0.908 . . . . 63.109999999999999 113.452 176.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.03 -39.83 66.52 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.733 0.413 . . . . 72.430000000000007 110.707 166.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 98' ' ' LYS . 49.7 mm-40 -82.1 -26.0 33.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.423 0.689 . . . . 75.140000000000001 112.705 175.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . 1.0 OUTLIER -62.41 -40.28 96.01 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 122.855 0.462 . . . . 64.150000000000006 110.239 178.363 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 93' ' ' ILE . 9.1 mp -69.24 -39.37 78.54 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.545 -0.752 . . . . 33.340000000000003 111.966 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -79.94 -33.66 39.46 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 111.9 0.333 . . . . 75.019999999999996 111.9 -173.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.611 ' HG3' ' HG2' ' A' ' 100' ' ' LYS . 18.2 ptpt -72.6 -28.56 62.85 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 71.450000000000003 110.664 175.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HG2' ' HG3' ' A' ' 99' ' ' LYS . 20.2 ptmt -163.81 117.09 1.47 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.606 0.763 . . . . 72.019999999999996 110.466 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.73 -63.55 3.81 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 110.298 -1.121 . . . . 64.230000000000004 110.298 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -158.54 -14.33 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.536 1.135 . . . . 73.349999999999994 111.092 168.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.9 mp -107.16 70.42 0.79 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.318 1.047 . . . . 73.129999999999995 108.603 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 148.16 46.31 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.735 -1.12 . . . . 71.340000000000003 111.286 175.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -91.71 16.7 10.15 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.576 0.75 . . . . 53.130000000000003 109.702 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -106.75 -10.82 15.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.654 0.782 . . . . 61.43 112.008 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -63.23 146.08 54.17 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.166 0.439 . . . . 53.130000000000003 110.199 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -69.02 135.26 50.59 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.275 0.63 . . . . 75.319999999999993 111.455 -165.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -84.87 68.43 10.49 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.871 0.868 . . . . 73.420000000000002 110.812 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 27.9 m80 . . . . . 0 C--O 1.248 1.02 0 C-N-CA 124.434 1.093 . . . . 75.150000000000006 108.397 174.809 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.447 0.165 . . . . 71.299999999999997 110.716 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.69 56.56 4.88 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 111.646 -0.582 . . . . 54.0 111.646 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 7.0 m -78.3 131.85 37.22 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.917 -0.772 . . . . 53.439999999999998 108.917 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' NZ ' HD13 ' A' ' 28' ' ' LEU . 15.5 ttpp -164.35 132.16 3.37 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.397 0.679 . . . . 72.040000000000006 109.584 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.2 pt -121.72 149.54 24.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 C-N-CA 123.931 0.892 . . . . 74.530000000000001 110.296 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.91 120.31 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 108.231 -1.026 . . . . 74.040000000000006 108.231 173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.529 HG11 HD11 ' A' ' 69' ' ' ILE . 90.0 t -101.28 116.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.653 -0.869 . . . . 61.109999999999999 108.653 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 23' ' ' ILE . 60.7 mt -109.6 129.39 64.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 123.821 0.848 . . . . 75.349999999999994 109.227 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 85' ' ' THR . 1.9 mp -87.46 89.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 106.466 -1.679 . . . . 74.420000000000002 106.466 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 t -83.19 104.07 13.09 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 114.478 -1.237 . . . . 73.430000000000007 109.387 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -97.64 -159.58 0.75 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.537 -1.21 . . . . 72.140000000000001 109.259 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.39 -24.09 67.19 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 123.657 0.783 . . . . 62.420000000000002 111.628 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.75 109.31 4.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.781 0.432 . . . . 64.129999999999995 109.847 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.9 m -78.39 -7.24 57.11 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.338 0.655 . . . . 64.239999999999995 112.246 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -55.13 -33.24 62.71 Favored 'General case' 0 CA--C 1.555 1.173 0 CA-C-O 121.454 0.645 . . . . 53.119999999999997 111.221 170.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.11 -28.02 66.11 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.373 1.069 . . . . 75.040000000000006 110.92 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -85.68 -40.22 16.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.825 1.25 . . . . 73.349999999999994 111.315 -176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -75.22 -36.25 61.37 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.728 0.411 . . . . 65.239999999999995 110.84 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 94' ' ' LEU . 87.8 mt -75.57 -23.66 56.56 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.789 0.436 . . . . 75.349999999999994 110.888 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.83 84.31 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.525 0.73 . . . . 73.349999999999994 110.759 172.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -67.76 -27.65 66.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.808 -1.087 . . . . 35.439999999999998 111.082 178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -73.71 -42.1 61.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.028 0.531 . . . . 74.420000000000002 110.802 174.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 8' ' ' ILE . 80.2 mt -64.71 -52.29 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.153 0.981 . . . . 74.439999999999998 111.845 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -56.23 -24.09 40.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 123.732 0.645 . . . . 54.32 112.468 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.34 -25.0 66.61 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 71.230000000000004 112.402 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.56 -14.17 62.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.063 0.545 . . . . 62.229999999999997 111.035 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.38 25.88 6.17 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 116.138 -0.483 . . . . 71.019999999999996 113.097 171.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 28' ' ' LEU . 2.4 pt? -123.65 151.89 42.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.089 0.555 . . . . 74.129999999999995 110.674 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -73.98 132.2 42.17 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.268 -0.878 . . . . 72.329999999999998 110.178 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.73 131.53 64.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 C-N-CA 123.465 0.706 . . . . 75.340000000000003 109.379 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 7' ' ' VAL . 50.3 m-85 -103.09 132.26 49.48 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 124.069 0.948 . . . . 54.240000000000002 108.523 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 56' ' ' VAL . 41.1 mm -114.07 109.99 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.389 -0.967 . . . . 61.130000000000003 108.389 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD22 HG13 ' A' ' 59' ' ' VAL . 19.2 mt -86.45 102.97 14.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.2 -0.667 . . . . 75.519999999999996 109.2 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD12 ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -84.25 120.49 26.28 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.095 -1.076 . . . . 73.200000000000003 108.095 -177.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 65' ' ' ILE . 14.2 ptmm? -138.98 117.63 12.2 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.193 -1.41 . . . . 62.549999999999997 107.193 169.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.544 ' H ' HD12 ' A' ' 42' ' ' LEU . 27.5 t70 -134.14 164.32 27.61 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.735 0.814 . . . . 75.530000000000001 109.371 -172.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -52.1 -55.88 17.98 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.236 1.414 . . . . 73.129999999999995 111.421 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -100.5 153.15 19.6 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.91 0.884 . . . . 72.349999999999994 109.482 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.58 -44.34 28.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.826 0.851 . . . . 75.120000000000005 110.483 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.42 -45.63 75.54 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.09 -0.505 . . . . 51.420000000000002 109.888 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -53.53 -45.67 69.87 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.023 0.929 . . . . 71.510000000000005 111.229 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 36' ' ' ASP . 7.5 tt -56.73 -58.12 9.48 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.491 1.119 . . . . 62.119999999999997 110.399 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.983 0.913 . . . . 73.0 112.443 -172.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.68 -41.79 62.17 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.88 0.472 . . . . 74.129999999999995 110.138 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -62.72 -31.44 72.37 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.908 0.755 . . . . 64.209999999999994 110.368 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 mt -53.82 -55.7 12.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.954 0.784 . . . . 63.049999999999997 109.654 170.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.402 HE21 HG22 ' A' ' 46' ' ' ILE . 28.1 mm-40 -65.11 -34.87 79.42 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.376 0.671 . . . . 71.010000000000005 112.226 -175.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.14 -36.82 69.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.6 . . . . 75.430000000000007 111.304 -176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 56' ' ' VAL . 88.0 mt -77.7 -34.98 52.62 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.465 0.306 . . . . 53.009999999999998 111.018 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 46' ' ' ILE . 49.1 mtpt -62.95 -30.08 71.3 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.402 0.281 . . . . 73.030000000000001 111.398 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 t -58.97 -31.6 68.89 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.383 0.673 . . . . 71.349999999999994 111.568 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -91.03 13.22 17.37 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.447 0.699 . . . . 70.349999999999994 111.902 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.11 49.28 8.68 Favored Glycine 0 C--N 1.348 1.206 0 N-CA-C 113.333 0.093 . . . . 71.420000000000002 113.333 175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -120.28 139.12 53.19 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.662 -0.866 . . . . 61.049999999999997 108.662 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -87.22 88.81 7.79 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.895 -1.15 . . . . 71.439999999999998 107.895 170.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 46' ' ' ILE . 17.0 t -89.51 125.27 42.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 113.993 -1.458 . . . . 53.439999999999998 109.311 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.36 149.74 50.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 124.107 0.963 . . . . 61.109999999999999 109.472 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' HE2' HD22 ' A' ' 42' ' ' LEU . 38.7 ttmt -87.99 134.99 33.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.289 1.035 . . . . 73.310000000000002 109.944 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG13 HD22 ' A' ' 33' ' ' LEU . 5.6 m -133.03 165.31 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.915 0.886 . . . . 64.209999999999994 108.846 170.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -85.54 -84.43 0.16 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.035 -0.984 . . . . 72.549999999999997 110.36 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.62 -177.5 4.58 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.699 0.8 . . . . 63.130000000000003 110.271 -174.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.98 -33.98 72.68 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 124.501 1.12 . . . . 64.129999999999995 112.634 -171.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -64.8 -38.55 91.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.331 0.652 . . . . 54.439999999999998 110.438 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.18 -38.78 75.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.199 0.6 . . . . 54.039999999999999 110.279 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 35' ' ' LYS . 90.5 mt -63.78 -56.38 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.22 1.408 . . . . 65.409999999999997 112.408 -175.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.16 -34.63 76.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.23 0.538 . . . . 72.340000000000003 110.221 -176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -69.82 -35.75 75.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.792 -1.095 . . . . 74.530000000000001 110.457 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.8 t90 -65.78 -33.88 76.89 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.688 1.195 . . . . 74.230000000000004 111.429 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.671 HG12 ' HG2' ' A' ' 83' ' ' LYS . 1.8 mp -74.9 -44.98 44.56 Favored 'Isoleucine or valine' 0 C--O 1.249 1.031 0 C-N-CA 123.269 0.628 . . . . 72.5 109.752 176.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.39 -45.01 89.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.712 -1.131 . . . . 70.25 111.56 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -36.21 80.51 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.434 0.693 . . . . 71.0 112.215 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.6 mt -60.94 -41.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.667 0.387 . . . . 63.200000000000003 110.309 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -65.54 -20.39 66.32 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.523 0.514 . . . . 72.239999999999995 112.305 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -86.23 -43.49 12.93 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.943 0.497 . . . . 71.530000000000001 110.359 173.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.46 -35.87 80.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.833 0.853 . . . . 63.439999999999998 110.853 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -143.52 80.62 12.88 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 125.17 1.388 . . . . 72.099999999999994 108.738 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.65 -3.77 13.27 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.726 2.284 . . . . 72.420000000000002 113.639 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.61 -21.95 61.77 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.769 0.655 . . . . 72.140000000000001 112.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' SER . 1.3 pp -117.33 145.18 44.2 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.513 0.931 . . . . 74.329999999999998 113.513 -169.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -83.89 133.73 34.71 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.52 -1.218 . . . . 64.430000000000007 108.975 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.27 132.83 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.146 0.578 . . . . 55.130000000000003 109.496 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -126.57 129.21 48.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.855 0.862 . . . . 72.310000000000002 108.964 173.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.671 ' HG2' HG12 ' A' ' 69' ' ' ILE . 32.3 mtmm -85.15 138.74 32.19 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.16 0.584 . . . . 54.229999999999997 109.487 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 90' ' ' ALA . 86.6 t -119.79 90.32 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 108.316 -0.994 . . . . 71.239999999999995 108.316 169.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 9' ' ' ILE . 25.7 p -88.35 -10.48 49.25 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.912 0.485 . . . . 60.549999999999997 111.356 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -142.75 149.39 38.67 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.783 0.833 . . . . 72.120000000000005 110.494 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -51.27 -45.71 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.6 1.56 . . . . 61.210000000000001 113.343 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.94 -33.36 66.93 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.783 0.833 . . . . 65.209999999999994 111.673 -176.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.1 -40.65 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.319 0.648 . . . . 61.409999999999997 110.793 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.586 ' HB2' HG11 ' A' ' 84' ' ' VAL . . . -63.86 -36.91 85.46 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.412 0.685 . . . . 65.409999999999997 111.289 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.37 -35.42 61.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.522 0.729 . . . . 75.409999999999997 111.041 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -47.77 43.02 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.07 0.548 . . . . 72.549999999999997 109.612 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 96' ' ' ASP . 30.8 pt -61.8 -23.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.124 0.787 . . . . 54.409999999999997 113.124 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 19' ' ' LEU . 88.7 mt -53.79 -38.73 64.8 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 117.827 0.285 . . . . 64.5 111.549 170.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -83.32 -32.99 26.0 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.629 1.172 . . . . 73.219999999999999 110.617 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 93' ' ' ILE . 24.9 t70 -66.21 -45.28 81.28 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 114.415 -1.266 . . . . 72.510000000000005 111.899 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.9 -20.09 66.26 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.699 0.8 . . . . 71.409999999999997 111.815 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -74.0 -38.22 64.16 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.493 0.664 . . . . 74.140000000000001 110.196 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.12 -21.22 22.36 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 114.927 -1.033 . . . . 71.409999999999997 111.326 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? 56.35 80.37 0.15 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.827 1.251 . . . . 65.530000000000001 109.946 -165.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.05 -144.28 31.99 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.078 -0.51 . . . . 61.219999999999999 112.733 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.2 p -163.25 -164.38 0.94 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.269 1.028 . . . . 65.5 108.318 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 tt -88.19 62.32 6.69 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.469 -1.308 . . . . 63.219999999999999 107.469 173.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.53 94.81 1.01 Allowed 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 113.438 -1.71 . . . . 65.340000000000003 111.363 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -96.5 -14.83 22.04 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.036 0.534 . . . . 74.140000000000001 111.197 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -69.23 -36.88 77.67 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 120.7 0.286 . . . . 63.119999999999997 110.296 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -142.45 174.26 10.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 75.310000000000002 110.538 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -134.7 -178.19 4.96 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 124.853 1.261 . . . . 71.329999999999998 108.461 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -64.19 115.05 4.62 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 108.566 -0.901 . . . . 64.040000000000006 108.566 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 m80 . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 123.954 0.902 . . . . 73.540000000000006 110.192 -173.649 . . . . . . . . 0 0 . 1 stop_ save_